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2 %% Created for Dan Gezelter at 2007-10-11 13:35:47 -0400
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7
8
9 @article{Hu:2004lr,
10 Author = {Hu, M. and Petrova, H. and Hartland, G. V.},
11 Date = {JUN 21},
12 Date-Added = {2007-10-11 13:34:04 -0400},
13 Date-Modified = {2007-10-11 13:34:04 -0400},
14 Isi = {ISI:000222228000005},
15 Issn = {0009-2614},
16 Journal = {CHEMICAL PHYSICS LETTERS},
17 Month = {Jun},
18 Number = {4-6},
19 Pages = {220--225},
20 Publication-Type = {J},
21 Title = {Investigation of the properties of gold nanoparticles in aqueous solution at extremely high lattice temperatures},
22 Volume = {391},
23 Year = {2004}}
24
25 @article{Mafune01,
26 Author = {Mafune, F. and Kohno, J. and Takeda, Y. and Kondow, T.},
27 Date = {SEP 27},
28 Date-Added = {2007-10-11 13:29:38 -0400},
29 Date-Modified = {2007-10-11 13:29:38 -0400},
30 Isi = {ISI:000171214200005},
31 Issn = {1089-5647},
32 Journal = {JOURNAL OF PHYSICAL CHEMISTRY B},
33 Month = {Sep},
34 Number = {38},
35 Pages = {9050--9056},
36 Publication-Type = {J},
37 Title = {Dissociation and aggregation of gold nanoparticles under laser irradiation},
38 Volume = {105},
39 Year = {2001}}
40
41 @article{JACKSON:1991lr,
42 Abstract = {The glass-transition temperatures, T(g), of organic liquids confined to small pores were studied by differential scanning calorimetry (DSC). The T(g) was measured as a function of pore size in controlled pore glasses (CPG) having pore diameters in the range of 40-730 angstrom. The surface of the glass was treated with hexamethyldisilazane to promote wetting by the organic liquids studied (o-terphenyl and benzyl alcohol). Glasses formed in the pores had a lower T(g) than in the bulk and the reduction in T(g) increased as the pore size decreased. For example, the depression of the glass transition temperature, DELTA-T(g), of benzyl alcohol in 40 angstrom and 85 angstrom pores was 7.2 K and 3.1 K, respectively. The magnitude of DELTA-T(g) also depends on the material; e.g. for o-terphenyl in the 85 angstrom pores, DELTA-T(g) was 8.8 K versus 3.1 K for benzyl alcohol. In general, it was noted that DELTA-T(g) was considerably less than for the depression of the crystalline melting point, DELTA-T(m), studied in related work. For example, for benzyl alcohol in the 85 angstrom pores, DELTA-T(m) was approximately 25 K and DELTA-T(g) was approximately 3 K.},
43 Author = {JACKSON, CL and MCKENNA, GB},
44 Date-Added = {2007-10-10 15:15:02 -0400},
45 Date-Modified = {2007-10-10 15:15:05 -0400},
46 Journal = {Journal of Non-Crystalline Solids},
47 Pages = {221-224},
48 Title = {THE GLASS-TRANSITION OF ORGANIC LIQUIDS CONFINED TO SMALL PORES},
49 Volume = {131},
50 Year = {1991}}
51
52 @book{Massalski:1986rt,
53 Address = {Metals Park, Ohio},
54 Annote = {LDR 01406cam 2200349 a 4500
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63 020 $a0871702630 (v. 2)
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67 245 00 $aBinary alloy phase diagrams /$ceditor-in-chief, Thaddeus B. Massalski ; editors, Joanne L. Murray, Lawrence H. Bennett, Hugh Baker.
68 260 $aMetals Park, Ohio :$bAmerican Society for Metals,$cc1986.
69 300 $a2 v. (xiii, 2224 p.) :$bill. ;$c29 cm.
70 500 $a"Alloy phase diagram master grid" in pocket.
71 504 $aBibliography: v. 1, p. xiii.
72 500 $aIncludes indexes.
73 650 0 $aAlloys.
74 650 0 $aPhase diagrams.
75 650 0 $aBinary systems (Metallurgy)
76 700 1 $aMassalski, T. B.
77 700 1 $aMurray, Joanne L.
78 700 1 $aBennett, L. H.$q(Lawrence Herman),$d1930-
79 700 1 $aBaker, Hugh.
80 952 $aLC's copy ("First printing, October 1986") has "American Society for Metals" on t.p., t.p. verso, and throughout text; "Metals Park, Ohio 44073" appears on t.p. ta01 12-16-2004
81 991 $bc-GenColl$hTN690$i.B528 1986$p00029709671$tCopy 1$v2: Fe-Ru - Zn-Zr$wBOOKS
82 },
83 Author = {Massalski, T. B and Murray, Joanne L and Bennett, L. H and Baker, Hugh},
84 Call-Number = {TN690},
85 Date-Added = {2007-10-09 19:12:42 -0400},
86 Date-Modified = {2007-10-09 19:13:18 -0400},
87 Dewey-Call-Number = {669/.94},
88 Genre = {Alloys},
89 Isbn = {0871702614 (set)},
90 Library-Id = {86017350},
91 Publisher = {American Society for Metals},
92 Title = {Binary alloy phase diagrams},
93 Year = {1986}}
94
95 @article{Ojovan:2006vn,
96 Abstract = {The thermodynamic approach to the viscosity and fragility of amorphous oxides was used to determine the topological characteristics of the disordered network-forming systems. Instead of the disordered system of atoms we considered the congruent disordered system of interconnecting bonds. The Gibbs free energy of network-breaking defects (configurons) was found based on available viscosity data. Amorphous silica and germania were used as reference disordered systems for which we found an excellent agreement of calculated and measured glass transition temperatures. We reveal that the Hausdorff dimension of the system of bonds changes from Euclidian three-dimensional below to fractal 2.55 +/- 0.05-dimensional geometry above the glass transition temperature.},
97 Author = {Ojovan, Michael I. and Lee, William E.},
98 Date-Added = {2007-10-09 18:40:55 -0400},
99 Date-Modified = {2007-10-09 18:44:16 -0400},
100 Doi = {DOI 10.1088/0953-8984/18/50/007},
101 Journal = {Journal of Physics-Condensed Matter},
102 Local-Url = {file://localhost/Users/charles/Documents/Papers/cm6_50_007.pdf},
103 Pages = {11507-11520},
104 Title = {Topologically disordered systems at the glass transition},
105 Volume = {18},
106 Year = {2006}}
107
108 @article{Jiang:1999yq,
109 Abstract = {A simple and unified model, free of any adjustable parameters, is developed for the finite size effect on glass transition temperatures of polymers and organic particles. As the thickness of polymer thin films and the radius of organic particles decrease, their glass transition temperatures decrease. For polymers, this decrease is independent of their molecular weight, but dependent on the correlation length for intermolecular cooperative rearrangement and the presence of substrates. The model predictions are consistent with available experimental results on size dependence of the glass transition temperatures for free-standing polystyrene thin films, polystyrene films supported on passivated substrates and o-terphenyl and benzyl alcohol nanoparticles. (C) 1999 Elsevier Science S.A. All rights reserved.},
110 Author = {Jiang, Q and Shi, HX and Li, JC},
111 Date-Added = {2007-10-09 18:33:30 -0400},
112 Date-Modified = {2007-10-09 18:33:32 -0400},
113 Journal = {Thin Solid Films},
114 Keywords = {glass; polymers; surface and interface states; surface thermodynamics},
115 Pages = {283-286},
116 Title = {Finite size effect on glass transition temperatures},
117 Volume = {354},
118 Year = {1999}}
119
120 @misc{Alcoutlabi:2005kx,
121 Abstract = {In this article, the effects of size and confinement at the nanometre size scale on both the melting temperature, T-m, and the glass transition temperature, T-g, are reviewed. Although there is an accepted thermodynamic model (the Gibbs-Thomson equation) for explaining the shift in the first-order transition, T-m, for confined materials, the depression of the melting point is still not fully understood and clearly requires further investigation. However, the main thrust of the work is a review of the field of confinement and size effects on the glass transition temperature. We present in detail the dynamic, thermodynamic and pseudo-thermodynamic measurements reported for the glass transition in confined geometries for both small molecules confined in nanopores and for ultrathin polymer films. We survey the observations that show that the glass transition temperature decreases, increases, remains the same or even disappears depending upon details of the experimental (or molecular simulation) conditions. Indeed, different behaviours have been observed for the same material depending on the experimental methods used. It seems that the existing theories of T-g are unable to explain the range of behaviours seen at the nanometre size scale, in part because the glass transition phenomenon itself is not fully understood. Importantly, here we conclude that the vast majority of the experiments have been carried out carefully and the results are reproducible. What is currently lacking appears to be an overall view, which accounts for the range of observations. The field seems to be experimentally and empirically driven rather than responding to major theoretical developments.},
122 Author = {Alcoutlabi, M and McKenna, GB},
123 Date-Added = {2007-10-09 18:31:39 -0400},
124 Date-Modified = {2007-10-09 18:49:43 -0400},
125 Local-Url = {file://localhost/Users/charles/Documents/Papers/cm5_15_R01.pdf},
126 Note = {Journal of Physics-Condensed Matter},
127 Pages = {R461-R524},
128 Title = {Effects of confinement on material behaviour at the nanometre size scale},
129 Volume = {17},
130 Year = {2005}}
131
132 @article{HUNT:1994fj,
133 Abstract = {An expression for the activation energy of the viscosity in the percolative transport regime demonstrates its proportionality to the peak in a distribution of barrier heights as well as to the width of the distribution. Such an expression implies that a ''blocking'' (slower than average) rate is responsible for the macroscopic relaxation time. This concept has recently been shown to account for a large number off phenomena related to the glass transition. Here it is shown that the average of a glass transition temperature over a large number of very small systems must correspond to an average barrier height; consequently the average glass temperature is reduced by confinement in pores because the average barrier height is smaller than the ''blocking'' barrier.},
134 Author = {HUNT, A},
135 Date-Added = {2007-10-09 18:30:13 -0400},
136 Date-Modified = {2007-10-09 18:30:27 -0400},
137 Journal = {Solid State Communications},
138 Pages = {527-532},
139 Title = {FINITE-SIZE EFFECTS ON THE GLASS-TRANSITION TEMPERATURE},
140 Volume = {90},
141 Year = {1994}}
142
143 @misc{HUNT:1992uq,
144 Abstract = {The relationship of the glass transition temperature T(g) to transport properties has been established. Simple arguments relating transport to distributions of barrier heights, barrier heights to random potential reliefs, and typical potential fluctuations to crystalline potentials allows the establishment of a relationship between T(g) and the melting temperature, T(m), by application of the Lindemann criterion for melting.},
145 Author = {HUNT, A},
146 Date-Added = {2007-10-09 18:19:48 -0400},
147 Date-Modified = {2007-10-09 18:20:00 -0400},
148 Local-Url = {file://localhost/Users/charles/Documents/Papers/cm923201.pdf},
149 Note = {Journal of Physics-Condensed Matter},
150 Pages = {L429-L431},
151 Title = {A SIMPLE CONNECTION BETWEEN THE MELTING TEMPERATURE AND THE GLASS TEMPERATURE IN A KINETIC-THEORY OF THE GLASS-TRANSITION},
152 Volume = {4},
153 Year = {1992}}
154
155 @article{Wang:2003fk,
156 Abstract = {The Debye temperature and glass transition temperature of a variety of bulk metallic glasses (BMGs) were determined by acoustic measurement and differential scanning calorimetry, respectively. The relationship between the Debye temperature and glass transition temperature of these BMGs was analyzed, and their observed correlation was interpreted in terms of the characteristics of the glass transition in BMGs.},
157 Author = {Wang, WH and Wen, P and Zhao, DQ and Pan, MX and Wang, RJ},
158 Date-Added = {2007-10-09 18:12:41 -0400},
159 Date-Modified = {2007-10-09 18:15:53 -0400},
160 Journal = {Journal of Materials Research},
161 Local-Url = {file://localhost/Users/charles/Documents/Papers/494770.pdf},
162 Pages = {2747-2751},
163 Title = {Relationship between glass transition temperature and Debye temperature in bulk metallic glasses},
164 Volume = {18},
165 Year = {2003}}
166
167 @book{Mazurin:1993lr,
168 Address = {Amsterdam},
169 Annote = {LDR 01412cam 2200253 a 4500
170 001 4714430
171 005 19931007093932.9
172 008 830610m19831993ne a b 001 0 eng
173 035 $9(DLC) 83011642
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176 020 $a0444416897 (U.S. : set) :$cfl 350.00
177 040 $aDLC$cDLC$dDLC$dOCoLC$dDLC
178 050 00 $aTP848$b.H36 1983
179 082 00 $a620.1/44/0212$219
180 245 00 $aHandbook of glass data.
181 260 $aAmsterdam ;$aNew York :$bElsevier ;$aNew York, N.Y. :$bDistributors for the U.S. and Canada, Elsevier Science Pub. Co.,$c1983-1993.
182 300 $a5 v. :$bill. ;$c26 cm.
183 440 0 $aPhysical sciences data ;$v15
184 504 $aIncludes bibliographies and indexes.
185 505 1 $apt. A. Silica glass and binary silicate glasses / O.V. Mazurin, M.V. Streltsina, and T.P. Shvaiko-Shvaikovskaya -- pt. B. Single-component and binary non-silicate oxide glasses / O.V. Mazurin, M.V. Streltsina, and T.P. Shvaiko-Shvaikovskaya -- pt. C. Ternary silicate glasses / O.V. Mazurin, M.V. Streltsina, and T.P. Shvaiko-Shvaikovskaya -- pt. D. Ternary non-silicate glasses / O.V. Mazurin ... [et al.] -- pt. E. Single-component, binary, and ternary oxide glasses / O.V. Mazurin, M.V. Streltsina, and T.P. Shvaiko-Shvaikovskaysa.
186 650 0 $aGlass.
187 700 1 $aMazurin, Oleg Vsevolodovich.
188 991 $bc-GenColl$hTP848$i.H36 1983$tCopy 1$wBOOKS
189 },
190 Author = {Mazurin, Oleg Vsevolodovich},
191 Call-Number = {TP848},
192 Date-Added = {2007-10-09 18:02:00 -0400},
193 Date-Modified = {2007-10-09 18:02:10 -0400},
194 Dewey-Call-Number = {620.1/44/0212},
195 Genre = {Glass},
196 Isbn = {0444416897 (U.S. : set)},
197 Library-Id = {83011642},
198 Publisher = {Elsevier},
199 Title = {Handbook of glass data},
200 Volume = {15},
201 Year = {1993}}
202
203 @article{Plech:2003yq,
204 Abstract = {The lattice expansion and relaxation of noble-metal nanoparticles heated by intense femtosecond laser pulses are measured by pump-probe time-resolved X-ray scattering. Following the laser pulse, shape and angular shift of the (111) Bragg reflection from crystalline silver and gold particles with diameters from 20 to 100 nm are resolved stroboscopically using 100 ps X-ray pulses from a synchrotron. We observe a transient lattice expansion that corresponds to a laser-induced temperature rise of up to 200 K, and a subsequent lattice relaxation. The relaxation occurs within several hundred picoseconds for embedded silver particles, and several nanoseconds for supported free gold particles. The relaxation time shows a strong dependence on particle size. The relaxation rate appears to be limited by the thermal coupling of the particles to the matrix and substrate, respectively, rather than by bulk thermal diffusion. Furthermore, X-ray diffraction can resolve the internal strain state of the nanoparticles to separate non-thermal from thermal motion of the lattice.},
205 Author = {Plech, A and Kurbitz, S and Berg, KJ and Graener, H and Berg, G and Gresillon, S and Kaempfe, M and Feldmann, J and Wulff, M and von Plessen, G},
206 Date-Added = {2007-10-09 17:37:01 -0400},
207 Date-Modified = {2007-10-09 17:37:01 -0400},
208 Journal = {Europhysics Letters},
209 Pages = {762-768},
210 Title = {Time-resolved X-ray diffraction on laser-excited metal nanoparticles},
211 Volume = {61},
212 Year = {2003}}
213
214 @article{Plech:2004vn,
215 Abstract = {Gold nanoparticles have been adsorbed as monolayers on silicon and glass substrates and the structure evolution following femtosecond laser excitation has been analyzed by means of time resolved X-ray scattering. The synchronization of the laser to the X-ray pulse structure emitted from a third generation synchrotron source allows to obtain a natural time resolution of 100 ps for the lattice kinetics. The prospects of using a picosecond X-ray streak camera are explored. The lattice kinetics are dominated by the fast heating of the particle lattice and nanosecond cooling times. However, the analysis of peak shapes reveals the presence of nonthermal motion within the lattice. Unexpectedly large relaxation times for the thermalization of vibrational modes are found and are attributed to the weak mechanical coupling to the substrate. Strong nonuniform strain develops within the domain of electron-phonon interaction time regime after the laser excitation as seen with the X-ray streak camera. (C) 2003 Elsevier B.V. All rights reserved.},
216 Author = {Plech, A and Gresillon, S and von Plessen, G and Scheidt, K and Naylor, G},
217 Date-Added = {2007-10-09 17:37:01 -0400},
218 Date-Modified = {2007-10-09 17:37:01 -0400},
219 Doi = {DOI 10.1016/j.chemphys.2003.10.041},
220 Journal = {Chemical Physics},
221 Keywords = {nanoparticles; picosecond time resolution; structure; femtosecond laser excitation; thermal kinetics},
222 Pages = {183-191},
223 Title = {Structural kinetics of laser-excited metal nanoparticles supported on a surface},
224 Volume = {299},
225 Year = {2004}}
226
227 @article{Plech:2007rt,
228 Abstract = {A thermal phase transition has been resolved in gold nanoparticles supported on a surface. By use of asynchronous optical sampling with coupled femtosecond oscillators, the Lamb vibrational modes could be resolved as a function of annealing temperature. At a temperature of 104 degrees C the damping rate and phase changes abruptly, indicating a structural transition in the particle, which is explained as the onset of surface melting.},
229 Author = {Plech, Anton and Cerna, Roland and Kotaidis, Vassilios and Hudert, Florian and Bartels, Albrecht and Dekorsy, Thomas},
230 Date-Added = {2007-10-09 17:37:01 -0400},
231 Date-Modified = {2007-10-09 17:40:03 -0400},
232 Doi = {DOI 10.1021/nl070187t},
233 Journal = {Nano Letters},
234 Local-Url = {file://localhost/Users/charles/Documents/Papers/nl070187t.pdf},
235 Pages = {1026-1031},
236 Title = {A surface phase transition of supported gold nanoparticles},
237 Volume = {7},
238 Year = {2007}}
239
240 @article{Plech:2005kx,
241 Abstract = {The transient structural response of laser excited gold nanoparticle sols has been recorded by pulsed X-ray scattering. Time resolved wide angle and small angle scattering (SAXS) record the changes in structure both of the nanoparticles and the water environment subsequent to femtosecond laser excitation. Within the first nanosecond after the excitation of the nanoparticles, the water phase shows a signature of compression, induced by a heat-induced evaporation of the water shell close to the heated nanoparticles. The particles themselves undergo a melting transition and are fragmented to Form new clusters in the nanometer range. (C) 2004 Elsevier B.V. All rights reserved.},
242 Author = {Plech, A and Kotaidis, V and Lorenc, M and Wulff, M},
243 Date-Added = {2007-10-09 17:32:46 -0400},
244 Date-Modified = {2007-10-09 17:34:08 -0400},
245 Doi = {DOI 10.1016/j.cplett.2004.11.072},
246 Journal = {Chemical Physics Letters},
247 Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle3.pdf},
248 Pages = {565-569},
249 Title = {Thermal dynamics in laser excited metal nanoparticles},
250 Volume = {401},
251 Year = {2005}}
252
253 @misc{Hartland:2006fj,
254 Abstract = {Excitation of metal nanoparticles with subpicosecond laser pulses causes a rapid increase in the lattice temperature. which can impulsively excite the phonon modes of the particle that correlate with the expansion coordinates. The vibrational periods depend on the size. shape, and elastic constants of the particles. Thus, time-resolved spectroscopy can be used to examine the material properties of nanometer-sized objects. This review provides a brief overview of the steady-state and time-resolved electronic spectroscopy of metal particles, which is important for understanding why vibrational motion appears in transient absorption traces. I also describe how the vibrational modes observed in the experiments are assigned. and what information can be obtained from the measurements. Our work has been mainly concerned with noble metal particles (gold and silver) in aqueous solution. The different shapes that have been examined to date include spheres, rods, and triangles, all with different sizes.},
255 Author = {Hartland, GV},
256 Date-Added = {2007-10-09 17:21:42 -0400},
257 Date-Modified = {2007-10-09 17:24:13 -0400},
258 Doi = {DOI 10.1146/annurev.physchem.57.032905.104533},
259 Keywords = {metals; nanorods; phonon modes; time-resolved spectroscopy; elastic moduli; laser-induced heating},
260 Local-Url = {file://localhost/Users/charles/Documents/Papers/annurev.physchem.57.032905.104533.pdf},
261 Note = {Annual Review of Physical Chemistry},
262 Pages = {403-430},
263 Title = {Coherent excitation of vibrational modes in metallic nanoparticles},
264 Volume = {57},
265 Year = {2006}}
266
267 @article{Wilson:2002uq,
268 Abstract = {We investigate suspensions of 3-10 nm diameter Au, Pt, and AuPd nanoparticles as probes of thermal transport in fluids and determine approximate values for the thermal conductance G of the particle/fluid interfaces. Subpicosecond lambda=770 nm optical pulses from a Ti:sapphire mode-locked laser are used to heat the particles and interrogate the decay of their temperature through time-resolved changes in optical absorption. The thermal decay of alkanethiol-terminated Au nanoparticles in toluene is partially obscured by other effects; we set a lower limit G>20 MW m(-2)K(-1). The thermal decay of citrate-stabilized Pt nanoparticles in water gives Gapproximate to130 MW m(-2) K-1. AuPd alloy nanoparticles in toluene and stabilized by alkanethiol termination give Gapproximate to5 MW m(-2) K-1. The measured G are within a factor of 2 of theoretical estimates based on the diffuse-mismatch model.},
269 Author = {Wilson, OM and Hu, XY and Cahill, DG and Braun, PV},
270 Date-Added = {2007-10-09 17:17:36 -0400},
271 Date-Modified = {2007-10-09 17:18:45 -0400},
272 Doi = {ARTN 224301},
273 Journal = {Physical Review B},
274 Local-Url = {file://localhost/Users/charles/Documents/Papers/e2243010.pdf},
275 Title = {Colloidal metal particles as probes of nanoscale thermal transport in fluids},
276 Volume = {66},
277 Year = {2002}}
278
279 @article{Dick:2002qy,
280 Abstract = {We report on the size dependence of the melting temperature of silica-encapsulated gold nanoparticles. The melting point was determined using differential thermal analysis (DTA) coupled to thermal gravimetric analysis (TGA) techniques. The small gold particles, with sizes ranging from 1.5 to 20 nm, were synthesized using radiolytic and chemical reduction procedures and then coated with porous silica shells to isolate the particles from one another. The resulting silica-encapsulated gold particles show clear melting endotherms in the DTA scan with no accompanying weight loss of the material in the TGA examination. The silica shell acts as a nanocrucible for the melting gold with little effect on the melting temperature itself, even though the analytical procedure destroys the particles once they melt. Phenomenological thermodynamic predictions of the size dependence of the melting point of gold agree with the experimental observation. Implications of these observations to the self-diffusion coefficient of gold in the nanoparticles are discussed, especially as they relate to the spontaneous alloying of core-shell bimetallic particles.},
281 Author = {Dick, K and Dhanasekaran, T and Zhang, ZY and Meisel, D},
282 Date-Added = {2007-10-09 16:44:50 -0400},
283 Date-Modified = {2007-10-09 16:47:53 -0400},
284 Doi = {DOI 10.1021/ja017281a},
285 Journal = {Journal of the American Chemical Society},
286 Pages = {2312-2317},
287 Title = {Size-dependent melting of silica-encapsulated gold nanoparticles},
288 Volume = {124},
289 Year = {2002}}
290
291 @misc{West:2003fk,
292 Abstract = {Advances in chemistry and physics are providing an expanding array of nanostructured materials with unique and powerful optical properties. These nanomaterials provide a new set of tools that are available to biomedical engineers, biologists, and medical scientists who seek new tools as biosensors and probes of biological fluids, cells, and tissue chemistry and function. Nanomaterials are also being used to develop optically controlled devices for applications such as modulated drug delivery as well as optical therapeutics. This review discusses applications that have been successfully demonstrated using nanomaterials including semiconductor nanocrystals, gold nanoparticles, gold nanoshells, and silver plasmon resonant particles.},
293 Author = {West, JL and Halas, NJ},
294 Date-Added = {2007-10-09 16:38:17 -0400},
295 Date-Modified = {2007-10-09 16:39:04 -0400},
296 Doi = {DOI 10.1146/annurev.bioeng.5.011303.120723},
297 Keywords = {nanotechnology; nanoparticle; optics; biosensor; quantum dot; gold colloid; plasmon resonant particle; nanoshell},
298 Note = {Annual Review of Biomedical Engineering},
299 Pages = {285-292},
300 Title = {Engineered nanomaterials for biophotonics applications: Improving sensing, imaging, and therapeutics},
301 Volume = {5},
302 Year = {2003}}
303
304 @misc{Hu:2006lr,
305 Abstract = {The surface plasmon resonance peaks of gold nanostructures can be tuned from the visible to the near infrared region by controlling the shape and structure ( solid vs. hollow). In this tutorial review we highlight this concept by comparing four typical examples: nanospheres, nanorods, nanoshells, and nanocages. A combination of this optical tunability with the inertness of gold makes gold nanostructures well suited for various biomedical applications.},
306 Author = {Hu, Min and Chen, Jingyi and Li, Zhi-Yuan and Au, Leslie and Hartland, Gregory V. and Li, Xingde and Marquez, Manuel and Xia, Younan},
307 Date-Added = {2007-10-09 15:39:55 -0400},
308 Date-Modified = {2007-10-09 15:43:59 -0400},
309 Doi = {DOI 10.1039/b517615h},
310 Local-Url = {file://localhost/Users/charles/Documents/Papers/b517615h.pdf},
311 Note = {Chemical Society Reviews},
312 Pages = {1084-1094},
313 Title = {Gold nanostructures: engineering their plasmonic properties for biomedical applications},
314 Volume = {35},
315 Year = {2006}}
316
317 @article{Zhu:1997lr,
318 Abstract = {Experimental bulk mixing data on disordered bimetallics of Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au are used to parametrize the recently developed {$\backslash$}underline{\{}b{\}}ond {$\backslash$}underline{\{}o{\}}rder metal {$\backslash$}underline{\{}s{\}}imulator (BOS-mixing) model, including a full error analysis. This model characterizes the variation of metal-metal bond strength with number and type of atomic neighbors. The model is shown to accurately fit experimental mixing energy curves as a function of composition irrespective of whether the curves are symmetric or asymmetric around the 50{\%} value. As an illustration of the utility of the BOS-mixing model, we predict the microstructures of bimetallic clusters with 201 atoms (or 61{\%} dispersion) and a composition of 50{\%}-50{\%}. The examples demonstrate how differences in surface energy, mixing energy, and mixing entropy either compete or cooperate in determining the microstructure of small bimetallic clusters.},
319 Author = {Zhu, Ling and DePristo, Andrew E.},
320 Date-Added = {2007-10-03 14:57:41 -0400},
321 Date-Modified = {2007-10-03 14:58:17 -0400},
322 Journal = {Journal of Catalysis},
323 Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle2.pdf},
324 Number = {2},
325 Pages = {400--407},
326 Title = {Microstructures of Bimetallic Clusters: Bond Order Metal Simulator for Disordered Alloys},
327 Ty = {JOUR},
328 Url = {http://www.sciencedirect.com/science/article/B6WHJ-45KMYC8-80/2/0c7f43e48e4dfa1206cb717c85db1972},
329 Volume = {167},
330 Year = {1997}}
331
332 @article{MainardiD.S._la0014306,
333 Affiliation = {Department of Chemical Engineering, University of South Carolina, Columbia, South Carolina 29208},
334 Author = {Mainardi, D.S. and Balbuena, P.B.},
335 Date-Added = {2007-10-03 14:53:26 -0400},
336 Date-Modified = {2007-10-03 15:01:14 -0400},
337 Issn = {0743-7463},
338 Journal = {Langmuir},
339 Local-Url = {file://localhost/Users/charles/Documents/Papers/la0014306.pdf},
340 Number = {6},
341 Pages = {2047-2050},
342 Title = {Monte Carlo Simulation of Cu-Ni Nanoclusters: Surface Segregation Studies},
343 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/la0014306},
344 Volume = {17},
345 Year = {2001}}
346
347 @article{nose:1803,
348 Author = {Shuichi Nose and Fumiko Yonezawa},
349 Date-Added = {2007-09-21 13:00:58 -0400},
350 Date-Modified = {2007-09-21 13:01:18 -0400},
351 Doi = {10.1063/1.450427},
352 Journal = {The Journal of Chemical Physics},
353 Keywords = {LENNARDJONES POTENTIAL; COMPUTERIZED SIMULATION; MELTING; CRYSTALLIZATION; MOLECULAR DYNAMICS CALCULATION; LIQUID STRUCTURE; NUCLEATION; MATHEMATICAL MODELS},
354 Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_84_1803.pdf},
355 Number = {3},
356 Pages = {1803-1814},
357 Publisher = {AIP},
358 Title = {Isothermal--isobaric computer simulations of melting and crystallization of a Lennard-Jones system},
359 Url = {http://link.aip.org/link/?JCP/84/1803/1},
360 Volume = {84},
361 Year = {1986}}
362
363 @article{hsu:4974,
364 Author = {C. S. Hsu and Aneesur Rahman},
365 Date-Added = {2007-09-21 12:52:21 -0400},
366 Date-Modified = {2007-09-21 12:52:40 -0400},
367 Doi = {10.1063/1.438311},
368 Journal = {The Journal of Chemical Physics},
369 Keywords = {NUCLEATION; SYMMETRY; INTERATOMIC FORCES; RUBIDIUM; LENNARD=(HYPHEN)=JONES POTENTIAL; CORRELATIONS; CRYSTALS},
370 Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_71_4974.pdf},
371 Number = {12},
372 Pages = {4974-4986},
373 Publisher = {AIP},
374 Title = {Interaction potentials and their effect on crystal nucleation and symmetry},
375 Url = {http://link.aip.org/link/?JCP/71/4974/1},
376 Volume = {71},
377 Year = {1979}}
378
379 @article{PhysRevLett.53.1951,
380 Author = {Shechtman, D. and Blech, I. and Gratias, D. and Cahn, J. W.},
381 Date-Added = {2007-09-20 17:44:19 -0400},
382 Date-Modified = {2007-09-20 17:44:57 -0400},
383 Doi = {10.1103/PhysRevLett.53.1951},
384 Journal = {Phys. Rev. Lett.},
385 Local-Url = {file://localhost/Users/charles/Documents/Papers/p1951_1.pdf},
386 Month = {Nov},
387 Number = {20},
388 Numpages = {2},
389 Pages = {1951--1953},
390 Publisher = {American Physical Society},
391 Title = {Metallic Phase with Long-Range Orientational Order and No Translational Symmetry},
392 Volume = {53},
393 Year = {1984}}
394
395 @article{PhysRevLett.56.1168,
396 Author = {Stephens, Peter W. and Goldman, Alan I.},
397 Date-Added = {2007-09-20 17:35:02 -0400},
398 Date-Modified = {2007-09-20 17:35:08 -0400},
399 Doi = {10.1103/PhysRevLett.56.1168},
400 Journal = {Phys. Rev. Lett.},
401 Local-Url = {file://localhost/Users/charles/Documents/Papers/p1168_1.pdf},
402 Month = {Mar},
403 Number = {11},
404 Numpages = {3},
405 Pages = {1168--1171},
406 Publisher = {American Physical Society},
407 Title = {Sharp Diffraction Maxima from an Icosahedral Glass},
408 Volume = {56},
409 Year = {1986}}
410
411 @article{HOARE:1976fk,
412 Author = {HOARE, M},
413 Date-Added = {2007-09-20 16:52:33 -0400},
414 Date-Modified = {2007-09-20 16:52:37 -0400},
415 Journal = {Annals of the New York Academy of Sciences},
416 Pages = {186-207},
417 Title = {STABILITY AND LOCAL ORDER IN SIMPLE AMORPHOUS PACKINGS},
418 Volume = {279},
419 Year = {1976}}
420
421 @article{19871127,
422 Abstract = {Numerous examples of metallic alloys have been discovered, the atomic structures of which display an icosahedral symmetry that is impossible for ordinary periodic crystals. Recent experimental results support the hypothesis that the alloys are examples of a new ``quasicrystal'' phase of solid matter. Observed deviations from an ideal quasicrystal structure can be explained as ``phason strains,'' a special class of defects predicted to be the dominant type of imperfection formed during solidification.},
423 Author = {Steinhardt, Paul J.},
424 Copyright = {Copyright 1987 American Association for the Advancement of Science},
425 Date-Added = {2007-09-20 15:31:29 -0400},
426 Date-Modified = {2007-09-20 15:31:36 -0400},
427 Issn = {0036-8075},
428 Journal = {Science},
429 Jstor_Articletype = {Full Length Article},
430 Jstor_Date = {19871127},
431 Jstor_Formatteddate = {Nov. 27, 1987},
432 Local-Url = {file://localhost/Users/charles/Documents/Papers/steinhart_science.pdf},
433 Month = {nov},
434 Number = {4831},
435 Pages = {1242--1247},
436 Publisher = {American Association for the Advancement of Science},
437 Series = {3},
438 Title = {Icosahedral Solids: A New Phase of Matter?},
439 Url = {http://links.jstor.org/sici?sici=0036-8075%2819871127%293%3A238%3A4831%3C1242%3AISANPO%3E2.0.CO%3B2-I},
440 Volume = {238},
441 Year = {1987}}
442
443 @article{Waal:1995lr,
444 Abstract = {It is proposed that the splitting of the second peak of the total static structure factor, S(k), of many metallic glasses is essentially the same feature as the indentation at k{$[$}sigma{$]$} = (9/2){$[$}pi{$]$} in the function (sin k {$[$}sigma{$]$} + {$[$}alpha{$]$}-1 sin k{$[$}alpha{$]$}{$[$}sigma{$]$}), caused by the coincidence of the fourth minimum of the second term with the third maximum of the first term when {$[$}alpha{$]$} {$[$}approximate{$]$} 5/3. Together with the strong-weak relation of the split peak components of S(k), this feature indicates the splitting to be direct evidence for face-sharing of regular tetrahedra ({$[$}alpha{$]$} = 2{$[$}square root{$]$}2/3) dominating the topological short range order; increasing the number of face-sharing tetrahedra in local structural units indeed increases the amount of peak splitting in S(k); a dense random packing of well defined identical structural units (DRPSU), with neighbouring units linked together by a shared icosahedron, is described in detail. The packing fraction in a homogeneous, isotropic 1078-atom model is 0.67, after static relaxation under a two-body Lennard-Jones potential.},
445 Author = {van de Waal, Benjamin W.},
446 Date-Added = {2007-09-20 13:17:52 -0400},
447 Date-Modified = {2007-09-20 13:18:07 -0400},
448 Journal = {Journal of Non-Crystalline Solids},
449 Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle1.pdf},
450 Number = {1-2},
451 Pages = {118--128},
452 Title = {On the origin of second-peak splitting in the static structure factor of metallic glasses},
453 Ty = {JOUR},
454 Url = {http://www.sciencedirect.com/science/article/B6TXM-3YB50T0-Y/2/cfc3dd6cbf53b26af1daf9cddb6dd2e3},
455 Volume = {189},
456 Year = {1995}}
457
458 @article{turnbull:411,
459 Author = {David Turnbull},
460 Date-Added = {2007-09-19 16:54:15 -0400},
461 Date-Modified = {2007-09-19 16:58:15 -0400},
462 Doi = {10.1063/1.1700435},
463 Journal = {The Journal of Chemical Physics},
464 Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_20_411.pdf},
465 Number = {3},
466 Pages = {411-424},
467 Publisher = {AIP},
468 Title = {Kinetics of Solidification of Supercooled Liquid Mercury Droplets},
469 Url = {http://link.aip.org/link/?JCP/20/411/1},
470 Volume = {20},
471 Year = {1952}}
472
473 @article{235821,
474 Address = {New York, NY, USA},
475 Author = {C. Bradford Barber and David P. Dobkin and Hannu Huhdanpaa},
476 Date-Added = {2007-09-18 19:11:42 -0400},
477 Date-Modified = {2007-09-18 19:11:50 -0400},
478 Doi = {http://doi.acm.org/10.1145/235815.235821},
479 Issn = {0098-3500},
480 Journal = {ACM Trans. Math. Softw.},
481 Local-Url = {file://localhost/Users/charles/Documents/Papers/p469-barber.pdf},
482 Number = {4},
483 Pages = {469--483},
484 Publisher = {ACM Press},
485 Title = {The quickhull algorithm for convex hulls},
486 Volume = {22},
487 Year = {1996}}
488
489 @article{0031-9155-41-9-016,
490 Abstract = {Volume measurements are useful in many branches of science and medicine. They are usually accomplished by acquiring a sequence of cross sectional images through the object using an appropriate scanning modality, for example x-ray computed tomography (CT), magnetic resonance (MR) or ultrasound (US). In the cases of CT and MR, a dividing cubes algorithm can be used to describe the surface as a triangle mesh. However, such algorithms are not suitable for US data, especially when the image sequence is multiplanar (as it usually is). This problem may be overcome by manually tracing regions of interest (ROIs) on the registered multiplanar images and connecting the points into a trianglar mesh. In this paper we describe and evaluate a new discreet form of Gauss' theorem which enables the calculation of the volume of any enclosed surface described by a triangular mesh. The volume is calculated by summing the vector product of the centroid, area and normal of each surface triangle. The algorithm was tested on computer-generated objects, US-scanned balloons, livers and kidneys and CT-scanned clay rocks. The results, expressed as the mean percentage difference one standard deviation were , , and \% for balloons, livers, kidneys and rocks respectively. The results compare favourably with other volume estimation methods such as planimetry and tetrahedral decomposition.},
491 Author = {S W Hughes, T J D'Arcy, D J Maxwell, J E Saunders, C F Ruff, W S C Chiu and R J Sheppard},
492 Date-Added = {2007-09-18 18:49:49 -0400},
493 Date-Modified = {2007-09-18 18:49:55 -0400},
494 Journal = {Physics in Medicine and Biology},
495 Local-Url = {file://localhost/Users/charles/Documents/Papers/m60915.pdf},
496 Number = {9},
497 Pages = {1809-1821},
498 Title = {Application of a new discreet form of Gauss' theorem for measuring volume},
499 Url = {http://stacks.iop.org/0031-9155/41/1809},
500 Volume = {41},
501 Year = {1996}}
502
503 @article{Balucani:1990fk,
504 Author = {Balucani, U. and Vallauri, R.},
505 Date-Added = {2007-09-18 11:47:47 -0400},
506 Date-Modified = {2007-09-18 11:48:01 -0400},
507 Journal = {Chemical Physics Letters},
508 Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle0.pdf},
509 Number = {1},
510 Pages = {77--81},
511 Title = {Evolution of bond-angle distribution from liquid to glassy states},
512 Ty = {JOUR},
513 Url = {http://www.sciencedirect.com/science/article/B6TFN-44XDV0S-9H/2/fa1467fe68d6474b775de0f4cfd7f7ab},
514 Volume = {166},
515 Year = {1990}}
516
517 @article{Sheng:2006lr,
518 Annote = {10.1038/nature04421},
519 Author = {Sheng, H. W. and Luo, W. K. and Alamgir, F. M. and Bai, J. M. and Ma, E.},
520 Date-Added = {2007-09-17 12:50:02 -0400},
521 Date-Modified = {2007-09-17 12:50:07 -0400},
522 Isbn = {0028-0836},
523 Journal = {Nature},
524 L3 = {http://www.nature.com/nature/journal/v439/n7075/suppinfo/nature04421_S1.html},
525 Local-Url = {file://localhost/Users/charles/Documents/Papers/nature04421.pdf},
526 M3 = {10.1038/nature04421},
527 Number = {7075},
528 Pages = {419--425},
529 Title = {Atomic packing and short-to-medium-range order in metallic glasses},
530 Ty = {JOUR},
531 Url = {http://dx.doi.org/10.1038/nature04421},
532 Volume = {439},
533 Year = {2006}}
534
535 @article{19521106,
536 Author = {Frank, F. C.},
537 Copyright = {Copyright 1952 The Royal Society},
538 Date-Added = {2007-09-17 12:26:50 -0400},
539 Date-Modified = {2007-09-17 12:26:56 -0400},
540 Group = {A Discussion on Theory of Liquids},
541 Issn = {0080-4630},
542 Journal = {Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences},
543 Jstor_Articletype = {Full Length Article},
544 Jstor_Date = {19521106},
545 Jstor_Formatteddate = {Nov. 6, 1952},
546 Local-Url = {file://localhost/Users/charles/Documents/Papers/frank_icos_liq.pdf},
547 Month = {nov},
548 Number = {1120},
549 Pages = {43--46},
550 Publisher = {The Royal Society},
551 Title = {Supercooling of Liquids},
552 Url = {http://links.jstor.org/sici?sici=0080-4630%2819521106%29215%3A1120%3C43%3ASOL%3E2.0.CO%3B2-9},
553 Volume = {215},
554 Year = {1952}}
555
556 @article{PhysRevLett.91.135505,
557 Author = {Di Cicco, Andrea and Trapananti, Angela and Faggioni, Silena and Filipponi, Adriano},
558 Date-Added = {2007-09-17 12:15:58 -0400},
559 Date-Modified = {2007-09-17 12:16:09 -0400},
560 Doi = {10.1103/PhysRevLett.91.135505},
561 Journal = {Phys. Rev. Lett.},
562 Local-Url = {file://localhost/Users/charles/Documents/Papers/e135505.pdf},
563 Month = {Sep},
564 Number = {13},
565 Numpages = {4},
566 Pages = {135505},
567 Publisher = {American Physical Society},
568 Title = {Is There Icosahedral Ordering in Liquid and Undercooled Metals?},
569 Volume = {91},
570 Year = {2003}}
571
572 @article{duijneveldt:4655,
573 Author = {J. S. van Duijneveldt and D. Frenkel},
574 Date-Added = {2007-09-13 16:50:13 -0400},
575 Date-Modified = {2007-09-13 16:50:22 -0400},
576 Doi = {10.1063/1.462802},
577 Journal = {The Journal of Chemical Physics},
578 Keywords = {COMPUTERIZED SIMULATION; FREE ENERGY; CRYSTALS; NUCLEATION; THERMAL BARRIERS; MONTE CARLO METHOD; SUPERCOOLED LIQUIDS; FCC LATTICES; BCC LATTICES; SIMULATION; HOMOGENEITY},
579 Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_96_4655.pdf},
580 Number = {6},
581 Pages = {4655-4668},
582 Publisher = {AIP},
583 Title = {Computer simulation study of free energy barriers in crystal nucleation},
584 Url = {http://link.aip.org/link/?JCP/96/4655/1},
585 Volume = {96},
586 Year = {1992}}
587
588 @article{Jiang:2005lr,
589 Author = {Hongjin Jiang and Kyoung-sik Moon and Wong, C. P.},
590 Date-Added = {2007-09-11 14:55:57 -0400},
591 Date-Modified = {2007-09-11 14:56:06 -0400},
592 Isbn = {1550-5723},
593 Journal = {Advanced Packaging Materials: Processes, Properties and Interfaces, 2005. Proceedings. International Symposium on},
594 Journal1 = {Advanced Packaging Materials: Processes, Properties and Interfaces, 2005. Proceedings. International Symposium on},
595 Keywords = {adhesives; conducting polymers; copper alloys; filled polymers; filler metals; integrated circuit interconnections; materials preparation; nanoparticles; powder technology; powders; silver alloys; Ag-Cu alloy nanoparticle synthesis; AgCu; TEM observation; UV absorption; conductive filler; electrically conductive adhesive; lead-free interconnect material; mixed alloy structure; polyol process; silver-copper alloy},
596 Local-Url = {file://localhost/Users/charles/Documents/Papers/01432072.pdf},
597 Pages = {173--177},
598 Title = {Synthesis of Ag-Cu alloy nanoparticles for lead-free interconnect materials},
599 Title1 = {Advanced Packaging Materials: Processes, Properties and Interfaces, 2005. Proceedings. International Symposium on},
600 Ty = {CONF},
601 Year = {2005}}
602
603 @unpublished{hartlandPrv2007,
604 Author = {G. V. Hartland},
605 Date-Added = {2007-09-10 16:28:58 -0400},
606 Date-Modified = {2007-09-10 16:34:05 -0400},
607 Howpublished = {(private communication)},
608 Note = {Private Communication},
609 Title = {Interfacial Conductance for Nanoparticles}}
610
611 @article{xuan:043507,
612 Author = {Yimin Xuan and Qiang Li and Xing Zhang and Motoo Fujii},
613 Date-Added = {2007-09-10 16:25:23 -0400},
614 Date-Modified = {2007-09-10 16:26:01 -0400},
615 Doi = {10.1063/1.2245203},
616 Eid = {043507},
617 Journal = {Journal of Applied Physics},
618 Keywords = {nanoparticles; suspensions; stochastic processes; Brownian motion; heat transfer; thermal conductivity; two-phase flow},
619 Local-Url = {file://localhost/Users/charles/Documents/Papers/JApplPhys_100_043507.pdf},
620 Number = {4},
621 Numpages = {6},
622 Pages = {043507},
623 Publisher = {AIP},
624 Title = {Stochastic thermal transport of nanoparticle suspensions},
625 Url = {http://link.aip.org/link/?JAP/100/043507/1},
626 Volume = {100},
627 Year = {2006}}
628
629 @article{Henglein:1999fk,
630 Abstract = {Colloidal silver sols of long-time stability are formed in the gamma-irradiation of 1.0 x 10(-4) M AgClO4 solutions, which also contain 0.3 M 2-propanol, 2.5 x 10(-2) M N2O, and sodium citrate in various concentrations. The reduction of Ag+ in these solutions is brought about by the I-hydroxyalkyl radical generated in the radiolysis of 2-propanol; citrate does not act as a reductant but solely as a stabilizer of the colloidal particles formed. Its concentration is varied in the range from 5.0 x 10(-5) to 1.5 x 10(-3) M, and the size and size distribution of the silver particles are studied by electron microscopy. At low citrate concentration, partly agglomerated large particles are formed that have many imperfections. In an intermediate range (a few 10(-4) M), well-separated particles with a rather narrow size distribution and little imperfections are formed, the size slightly decreasing with increasing citrate concentration. At high citrate concentrations, large lumps of coalesced silver particles are present, due to destabilization by the high ionic strength of the solution. These findings are explained by two growth mechanisms: condensation of small silver clusters (type-I growth), and reduction of Ag+ on silver particles via radical-to-particle electron transfer (type-II growth). The particles formed in the intermediate range of citrate concentration were studied by high-resolution electron microscopy and computer simulations. They constitute icosahedra and cuboctahedra.},
631 Author = {Henglein, A and Giersig, M},
632 Date-Added = {2007-09-07 18:11:39 -0400},
633 Date-Modified = {2007-09-07 18:17:03 -0400},
634 Journal = {Journal of Physical Chemistry B},
635 Local-Url = {file://localhost/Users/charles/Documents/Papers/jp9925334.pdf},
636 Pages = {9533-9539},
637 Title = {Formation of colloidal silver nanoparticles: Capping action of citrate},
638 Volume = {103},
639 Year = {1999}}
640
641 @article{Link:2000lr,
642 Abstract = {Driven by the search for new materials with interesting and unique properties and also by the fundamental question of how atomic and molecular physical behaviour develops with increasing size, the field of nanoparticle research has grown immensely in the last two decades. Partially for these reasons, colloidal solutions of metallic (especially silver and gold) nanoparticles have long fascinated scientists because of their very intense colours. The intense red colour of colloidal gold nanoparticles is due to their surface plasmon absorption. This article describes the physical origin of the surface plasmon absorption in gold nanoparticles with emphasis on the Mie and also the Maxwell-Garnett theory and reviews the effects of particle size and shape on the resonance condition. A better understanding of the relationship between the optical absorption spectrum (in particular, the plasmon resonance) and such particle properties as its dimensions or surrounding environment can prove fruitful for the use of the plasmon absorption as an analytical tool. The plasmon resonance has also had a great impact on the Raman spectrum of surface-adsorbed molecules and a large enhancement of the fluorescence quantum yield of gold nanorods is observed. Furthermore, following the changes in the plasmon absorption induced by excitation (heating) with ultrashort laser pulses allows one to monitor the electron dynamics (electron-electron and electron-phonon interactions) in real time, which is important in understanding such fundamental questions regarding the thermal and electrical conductivity of these nanoparticles. Very intense heating with laser pulses leads to structural changes of the nanoparticles (nuclear rearrangements in the form of melting and fragmentation). ABSTRACT FROM AUTHOR Copyright of International Reviews in Physical Chemistry is the property of Taylor \& Francis Ltd and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts)},
643 Abstract1 = {Driven by the search for new materials with interesting and unique properties and also by the fundamental question of how atomic and molecular physical behaviour develops with increasing size, the field of nanoparticle research has grown immensely in the last two decades. Partially for these reasons, colloidal solutions of metallic (especially silver and gold) nanoparticles have long fascinated scientists because of their very intense colours. The intense red colour of colloidal gold nanoparticles is due to their surface plasmon absorption. This article describes the physical origin of the surface plasmon absorption in gold nanoparticles with emphasis on the Mie and also the Maxwell-Garnett theory and reviews the effects of particle size and shape on the resonance condition. A better understanding of the relationship between the optical absorption spectrum (in particular, the plasmon resonance) and such particle properties as its dimensions or surrounding environment can prove fruitful for the use of the plasmon absorption as an analytical tool. The plasmon resonance has also had a great impact on the Raman spectrum of surface-adsorbed molecules and a large enhancement of the fluorescence quantum yield of gold nanorods is observed. Furthermore, following the changes in the plasmon absorption induced by excitation (heating) with ultrashort laser pulses allows one to monitor the electron dynamics (electron-electron and electron-phonon interactions) in real time, which is important in understanding such fundamental questions regarding the thermal and electrical conductivity of these nanoparticles. Very intense heating with laser pulses leads to structural changes of the nanoparticles (nuclear rearrangements in the form of melting and fragmentation). ABSTRACT FROM AUTHOR Copyright of International Reviews in Physical Chemistry is the property of Taylor \& Francis Ltd and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts)},
644 Annote = {Accession Number: 3844873; Link, Stephan 1 El-Sayed, Mostafa A. 1; Affiliations: 1: Laser Dynamics Laboratory, School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332-0400, USA; Source Information: Jul/Sep2000, Vol. 19 Issue 3, p409; Subject Term: MOLECULAR structure; Subject Term: NANOPARTICLES; Number of Pages: 45p; Document Type: Article},
645 Author = {Link, Stephan and El-Sayed, Mostafa A.},
646 Date-Added = {2007-09-07 16:21:48 -0400},
647 Date-Modified = {2007-09-07 16:21:55 -0400},
648 Isbn = {0144235X},
649 J1 = {International Reviews in Physical Chemistry},
650 Journal = {International Reviews in Physical Chemistry},
651 Journal1 = {International Reviews in Physical Chemistry},
652 Keywords = {MOLECULAR structure; NANOPARTICLES},
653 Local-Url = {file://localhost/Users/charles/Documents/Papers/3844873.pdf},
654 M3 = {Article},
655 Number = {3},
656 Pages = {409--453},
657 Publisher = {Taylor \& Francis Ltd},
658 Title = {Shape and size dependence of radiative, non-radiative and photothermal properties of gold nanocrystals.},
659 Ty = {JOUR},
660 Url = {http://search.ebscohost.com/login.aspx?direct=true&AuthType=ip,url,uid,cookie&db=afh&AN=3844873&site=ehost-live},
661 Volume = {19},
662 Year = {2000}}
663
664 @article{BROOKS:1985kx,
665 Author = {BROOKS, CL and BRUNGER, A and KARPLUS, M},
666 Date-Added = {2007-09-06 15:55:51 -0400},
667 Date-Modified = {2007-09-06 15:56:44 -0400},
668 Journal = {Biopolymers},
669 Pages = {843-865},
670 Title = {ACTIVE-SITE DYNAMICS IN PROTEIN MOLECULES - A STOCHASTIC BOUNDARY MOLECULAR-DYNAMICS APPROACH},
671 Volume = {24},
672 Year = {1985}}
673
674 @article{BRUNGER:1984fj,
675 Author = {BRUNGER, A and BROOKS, CL and KARPLUS, M},
676 Date-Added = {2007-09-06 15:55:51 -0400},
677 Date-Modified = {2007-09-06 15:56:36 -0400},
678 Journal = {Chemical Physics Letters},
679 Pages = {495-500},
680 Title = {STOCHASTIC BOUNDARY-CONDITIONS FOR MOLECULAR-DYNAMICS SIMULATIONS OF ST2 WATER},
681 Volume = {105},
682 Year = {1984}}
683
684 @article{BROOKS:1983uq,
685 Author = {BROOKS, CL and KARPLUS, M},
686 Date-Added = {2007-09-06 15:55:51 -0400},
687 Date-Modified = {2007-09-06 15:56:24 -0400},
688 Journal = {Journal of Chemical Physics},
689 Pages = {6312-6325},
690 Title = {DEFORMABLE STOCHASTIC BOUNDARIES IN MOLECULAR-DYNAMICS},
691 Volume = {79},
692 Year = {1983}}
693
694 @book{Strandburg:1992qy,
695 Address = {New York},
696 Annote = {LDR 01152pam 2200301 a 4500
697 001 2960109
698 005 19920314112708.5
699 008 910605s1992 nyua b 001 0 eng
700 035 $9(DLC) 91020237
701 906 $a7$bcbc$corignew$d1$eocip$f19$gy-gencatlg
702 955 $apc17 to ea00 06-05-91; ea27 to SCD 06-05-91; fg08 06-06-91; fm27 6-11-91; CIP ver. bc27 03-07-92; to SL 03-14-92
703 010 $a 91020237
704 020 $a0387976388 (U.S. : alk. paper)
705 020 $a3540976388
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708 082 00 $a530.4/1$220
709 245 00 $aBond-orientational order in condensed matter systems /$cKatherine J. Strandburg, editor ; foreword by David R. Nelson.
710 260 $aNew York :$bSpringer-Verlag,$c1992.
711 300 $axi, 388 p. :$bill. ;$c25 cm.
712 440 0 $aPartially ordered systems
713 504 $aIncludes bibliographical references and index.
714 650 0 $aCondensed matter.
715 650 0 $aCrystals.
716 650 0 $aGlass.
717 650 0 $aPhase transformations (Statistical physics)
718 700 1 $aStrandburg, Katherine Jo,$d1957-
719 991 $bc-GenColl$hQC173.4.C65$iB66 1992$p00036991264$tCopy 1$wBOOKS
720 },
721 Author = {Strandburg, Katherine Jo},
722 Call-Number = {QC173.4.C65},
723 Date-Added = {2007-09-06 15:29:04 -0400},
724 Date-Modified = {2007-09-06 15:29:37 -0400},
725 Dewey-Call-Number = {530.4/1},
726 Genre = {Condensed matter},
727 Isbn = {0387976388 (U.S. : alk. paper)},
728 Library-Id = {91020237},
729 Publisher = {Springer-Verlag},
730 Title = {Bond-orientational order in condensed matter systems},
731 Year = {1992}}
732
733 @book{Kittel:1996fk,
734 Address = {New York},
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746 082 00 $a530.4/1$220
747 100 1 $aKittel, Charles.
748 245 10 $aIntroduction to solid state physics /$cCharles Kittel.
749 250 $a7th ed.
750 260 $aNew York :$bWiley,$cc1996.
751 300 $axi, 673 p. :$bill. ;$c25 cm.
752 504 $aIncludes bibliographical references and index.
753 650 0 $aSolid state physics.
754 856 42 $3Publisher description$uhttp://www.loc.gov/catdir/description/wiley033/95018445.html
755 856 4 $3Table of Contents only$uhttp://www.loc.gov/catdir/toc/onix03/95018445.html
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758 },
759 Author = {Kittel, Charles},
760 Call-Number = {QC176},
761 Date-Added = {2007-09-06 15:23:29 -0400},
762 Date-Modified = {2007-09-06 15:25:11 -0400},
763 Dewey-Call-Number = {530.4/1},
764 Edition = {7th ed},
765 Genre = {Solid state physics},
766 Isbn = {0471111813 (alk. paper)},
767 Library-Id = {95018445},
768 Publisher = {Wiley},
769 Title = {Introduction to solid state physics},
770 Url = {http://www.loc.gov/catdir/description/wiley033/95018445.html},
771 Year = {1996}}
772
773 @misc{Hartland:2003lr,
774 Abstract = {Laser excitation of metal nanoparticles can provide enough energy to melt or even fragment the particles. In this article we describe some recent experiments where controlled laser excitation was used to transform core-shell bimetallic particles into the corresponding alloy. Results for Au-Ag particles in solution and in a thin film are presented. Details are given about the excitation energies needed for alloying and how interdiffusion and alloying occur in nanoparticles. The spectral and dynamical properties of bimetallic particles are also discussed - especially as they pertain to our experiments.},
775 Author = {Hartland, GV and Guillaudeu, S and Hodak, JH},
776 Date-Added = {2007-09-06 15:19:25 -0400},
777 Date-Modified = {2007-09-06 15:19:59 -0400},
778 Note = {Molecules As Components of Electronic Devices},
779 Pages = {106-122},
780 Series = {ACS SYMPOSIUM SERIES},
781 Title = {Laser-induced alloying in metal nanoparticles: Controlling spectral properties with light},
782 Volume = {844},
783 Year = {2003}}
784
785 @article{HengleinA._jp992950g,
786 Affiliation = {Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556},
787 Author = {Henglein, A.},
788 Date-Added = {2007-09-06 15:01:20 -0400},
789 Date-Modified = {2007-09-06 15:01:27 -0400},
790 Issn = {1520-6106},
791 Journal = {Journal of Physical Chemistry B},
792 Local-Url = {file://localhost/Users/charles/Documents/Papers/jp992950g.pdf},
793 Number = {6},
794 Pages = {1206-1211},
795 Title = {Formation and Absorption Spectrum of Copper Nanoparticles from the Radiolytic Reduction of Cu(CN)2-},
796 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp992950g},
797 Volume = {104},
798 Year = {2000}}
799
800 @article{Petrova:2007qy,
801 Abstract = {This paper describes our recent time-resolved spectroscopy studies of the properties of gold particles at high laser excitation levels. In these experiments, an intense pump laser pulse rapidly heats the particle, creating very high lattice temperatures - up to the melting point of bulk gold. These high temperatures can have dramatic effects on the particle and the surroundings. The lattice temperature created is determined by observing the coherently excited the vibrational modes of the particles. The periods of these modes depend on temperature, thus, they act as an internal thermometer. We have used these experiments to provide values for the threshold temperatures for explosive boiling of the solvent surrounding the particles, and laser induced structural transformations in non-spherical particles. The results of these experiments are relevant to the use of metal nanoparticles in photothermal therapy, where laser induced heating is used to selectively kill cells.},
802 Author = {Petrova, Hristina and Hu, Min and Hartland, Gregory V.},
803 Date-Added = {2007-09-06 14:47:57 -0400},
804 Date-Modified = {2007-09-06 14:49:36 -0400},
805 Doi = {DOI 10.1524/zpch.2007.221.3.361},
806 Journal = {Zeitschrift Fur Physikalische Chemie-International Journal of Research In Physical Chemistry \& Chemical Physics},
807 Keywords = {metal nanoparticles; phonon modes; photothermal properties; laser-induced heating},
808 Pages = {361-376},
809 Title = {Photothermal properties of gold nanoparticles},
810 Volume = {221},
811 Year = {2007}}
812
813 @article{Hartland:2004fk,
814 Author = {Gregory V. Hartland},
815 Date-Added = {2007-09-06 14:34:21 -0400},
816 Date-Modified = {2007-09-06 14:37:40 -0400},
817 Journal = {Physical Chemistry Chemical Physics},
818 Local-Url = {file://localhost/Users/charles/Documents/Papers/b413368d.pdf},
819 Number = {23},
820 Pages = {5263-5274},
821 Title = {Measurements of the material properties of metal nanoparticles by time-resolved spectroscopy},
822 Volume = {6},
823 Year = {2004}}
824
825 @article{Qi:2001nn,
826 Author = {Yue Qi and Tahir Cagin and William L. Johnson and William A. Goddard III},
827 Date-Added = {2007-09-06 13:34:45 -0400},
828 Date-Modified = {2007-09-06 13:34:45 -0400},
829 Journal = {The Journal of Chemical Physics},
830 Keywords = {melting; freezing; crystallisation; nickel; nanostructured materials; metal clusters},
831 Local-Url = {file://localhost/Users/charles/Documents/Papers/Qi/2001.pdf},
832 Number = {1},
833 Pages = {385-394},
834 Publisher = {AIP},
835 Title = {Melting and crystallization in Ni nanoclusters: The mesoscale regime},
836 Url = {http://link.aip.org/link/?JCP/115/385/1},
837 Volume = {115},
838 Year = {2001}}
839
840 @article{Cleveland:1997jb,
841 Author = {Charles L. Cleveland and Uzi Landman and Thomas G. Schaaff and Marat N. Shafigullin and Peter W. Stephens and Robert L. Whetten},
842 Date-Added = {2007-09-06 13:34:10 -0400},
843 Date-Modified = {2007-09-06 13:34:10 -0400},
844 Journal = {Phys. Rev. Lett.},
845 Local-Url = {file://localhost/Users/charles/Documents/Papers/Cleveland/1997a.pdf},
846 Pages = {1873-1876},
847 Title = {Structural Evolution of Smaller Gold Nanocrystals: The Truncated Decahedral Motif},
848 Volume = {79},
849 Year = {1997}}
850
851 @article{Roy:2003dy,
852 Author = {R.K. Roy and S.K. Mandal and A.K. Pal},
853 Date-Added = {2007-09-06 13:32:38 -0400},
854 Date-Modified = {2007-09-06 13:32:38 -0400},
855 Journal = {Eur. Phys. J. B},
856 Local-Url = {file://localhost/Users/charles/Documents/Papers/Roy/2003.pdf},
857 Pages = {109-114},
858 Title = {Effect of interfacial alloying on the surface plasmon resonance of nanocrystalline Au-Ag multilayer thin films},
859 Volume = {33},
860 Year = {2003}}
861
862 @article{gonzalo:5163,
863 Author = {J. Gonzalo and D. Babonneau and C. N. Afonso and J.-P. Barnes},
864 Date-Added = {2007-09-06 13:32:05 -0400},
865 Date-Modified = {2007-09-06 13:32:05 -0400},
866 Journal = {Journal of Applied Physics},
867 Keywords = {alumina; silver; copper; nanocomposites; metallic thin films; pulsed laser deposition; surface plasmon resonance; spectral line shift; nucleation; visible spectra; electron diffraction; electron microscopy},
868 Local-Url = {file://localhost/Users/charles/Documents/Papers/Gonzalo/2004.pdf},
869 Number = {9},
870 Pages = {5163-5168},
871 Publisher = {AIP},
872 Title = {Optical response of mixed Ag-Cu nanocrystals produced by pulsed laser deposition},
873 Url = {http://link.aip.org/link/?JAP/96/5163/1},
874 Volume = {96},
875 Year = {2004}}
876
877 @article{Kim:2003lv,
878 Author = {M. Kim and H. Na and K. C. Lee and E. A. Yoo and M. Lee},
879 Date-Added = {2007-09-06 13:31:15 -0400},
880 Date-Modified = {2007-09-06 13:31:15 -0400},
881 Journal = {J. Mat. Chem},
882 Number = {7},
883 Pages = {1789-1792},
884 Title = {Preperation and characterization of Au-Ag and Au-Cu alloy nanoparticles in chloroform.},
885 Volume = {13},
886 Year = {2003}}
887
888 @article{Malyavantham:2004cu,
889 Author = {Malyavantham, Gokul and O'Brien, Daniel T. and Becker, Michael F. and Keto, John W. and Kovar, Desiderio},
890 Date-Added = {2007-09-06 13:30:22 -0400},
891 Date-Modified = {2007-09-06 13:30:22 -0400},
892 Journal = {Journal of Nanoparticle Research},
893 Local-Url = {file://localhost/Users/charles/Documents/Papers/Malyavantham/2004.pdf},
894 Number = {6},
895 Pages = {661 --664},
896 Title = {Au-Cu nanoparticles produced by laser ablation of mixtures of Au and Cu microparticles},
897 Ty = {JOUR},
898 Url = {http://www.springerlink.com/openurl.asp?genre=article\& id=doi:10.1007/s11051-004-3212-z},
899 Volume = {6},
900 Year = {2004}}
901
902 @article{Ludwig:2003lr,
903 Address = {Physikalische Chemie, Fachbereich Chemie, Universitat Dortmund, Otto-Hahn-Strasse 6, 44221 Dortmund, Germany. ludwig@pc2a.chemie.uni-dortmund.de},
904 Au = {Ludwig, R},
905 Author = {Ludwig, Ralf},
906 Da = {20030805},
907 Date-Added = {2007-07-16 17:00:26 -0400},
908 Date-Modified = {2007-07-16 17:00:26 -0400},
909 Dcom = {20040511},
910 Doi = {10.1002/anie.200301658},
911 Edat = {2003/08/06 05:00},
912 Issn = {1433-7851 (Print)},
913 Jid = {0370543},
914 Journal = {Angew Chem Int Ed Engl},
915 Jt = {Angewandte Chemie (International ed. in English)},
916 Language = {eng},
917 Lr = {20070119},
918 Mhda = {2003/08/06 05:01},
919 Number = {30},
920 Own = {NLM},
921 Pages = {3458--3460},
922 Pl = {Germany},
923 Pmid = {12900957},
924 Pst = {ppublish},
925 Pt = {Journal Article},
926 Pubm = {Print},
927 So = {Angew Chem Int Ed Engl. 2003 Aug 4;42(30):3458-60.},
928 Stat = {PubMed-not-MEDLINE},
929 Title = {How does water bind to metal surfaces: hydrogen atoms up or hydrogen atoms down?},
930 Volume = {42},
931 Year = {2003}}
932
933 @article{SpohrE._j100353a043,
934 Author = {Spohr, E.},
935 Date-Added = {2007-07-16 16:44:34 -0400},
936 Date-Modified = {2007-07-16 16:45:17 -0400},
937 Issn = {0022-3654},
938 Journal = {Journal of Physical Chemistry},
939 Local-Url = {file://localhost/Users/charles/Documents/Papers/Spohr/1989.pdf},
940 Number = {16},
941 Pages = {6171-6180},
942 Title = {Computer simulation of the water/platinum interface},
943 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/j100353a043},
944 Volume = {93},
945 Year = {1989}}
946
947 @article{kay:5120,
948 Author = {Bruce D. Kay and Keith R. Lykke and J. Randall Creighton and Stephen J. Ward},
949 Date-Added = {2007-07-16 14:10:25 -0400},
950 Date-Modified = {2007-07-16 14:10:38 -0400},
951 Doi = {10.1063/1.457606},
952 Journal = {The Journal of Chemical Physics},
953 Keywords = {CHEMISORPTION; CHEMICAL BONDS; AMMONIA; HYDROFLUORIC ACID; WATER; GOLD; SORPTIVE PROPERTIES; LOW TEMPERATURE; DESORPTION; ADSORBATES; HYDROGEN BONDS; DESORPTION SPECTROSCOPY},
954 Local-Url = {file://localhost/Users/charles/Documents/Papers/Kay/1989.pdf},
955 Number = {8},
956 Pages = {5120-5121},
957 Publisher = {AIP},
958 Title = {The influence of adsorbate--absorbate hydrogen bonding in molecular chemisorption: NH[sub 3], HF, and H[sub 2]O on Au(111)},
959 Url = {http://link.aip.org/link/?JCP/91/5120/1},
960 Volume = {91},
961 Year = {1989}}
962
963 @article{MahaffyR._jp962281w,
964 Affiliation = {Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802},
965 Author = {Mahaffy, R. and Bhatia, R. and Garrison, B.J.},
966 Date-Added = {2007-07-05 12:36:54 -0400},
967 Date-Modified = {2007-07-05 12:37:01 -0400},
968 Issn = {1520-6106},
969 Journal = {Journal of Physical Chemistry B},
970 Local-Url = {file://localhost/Users/charles/Documents/Papers/Mahaffy/1997.pdf},
971 Number = {5},
972 Pages = {771-773},
973 Title = {Diffusion of a Butanethiolate Molecule on a Au{111} Surface},
974 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp962281w},
975 Volume = {101},
976 Year = {1997}}
977
978 @article{LuedtkeW.D._jp981745i,
979 Affiliation = {School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332-0430},
980 Author = {Luedtke, W.D. and Landman, U.},
981 Date-Added = {2007-07-05 12:13:33 -0400},
982 Date-Modified = {2007-07-05 12:13:42 -0400},
983 Issn = {1520-6106},
984 Journal = {Journal of Physical Chemistry B},
985 Local-Url = {file://localhost/Users/charles/Documents/Papers/Luedtke/1998.pdf},
986 Number = {34},
987 Pages = {6566-6572},
988 Title = {Structure and Thermodynamics of Self-Assembled Monolayers on Gold Nanocrystallites},
989 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp981745i},
990 Volume = {102},
991 Year = {1998}}
992
993 @article{LuedtkeW.D._jp961721g,
994 Affiliation = {School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332},
995 Author = {Luedtke, W.D. and Landman, U.},
996 Date-Added = {2007-07-05 12:06:28 -0400},
997 Date-Modified = {2007-07-05 12:07:32 -0400},
998 Issn = {0022-3654},
999 Journal = {Journal of Physical Chemistry},
1000 Local-Url = {file://localhost/Users/charles/Documents/Papers/Luedtke/1996.pdf},
1001 Number = {32},
1002 Pages = {13323-13329},
1003 Title = {Structure, Dynamics, and Thermodynamics of Passivated Gold Nanocrystallites and Their Assemblies},
1004 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp961721g},
1005 Volume = {100},
1006 Year = {1996}}
1007
1008 @article{0957-4484-17-18-037,
1009 Abstract = {Molecular dynamics simulations are used to investigate the microstructures of Cu\–Ni nanoparticles with different concentrations of oversized atoms added to them. A many body second moment tight binding approximation potential is adopted to model the interatomic interactions. The Honeycutt\–Anderson (HA) pair analysis technique is adopted to analyse in detail the transformation between local structures at different temperatures. From the simulation results, at temperatures higher than the melting point, the nanoparticles are in a liquid state and an icosahedral local structure is most frequently found inside the nanoparticles. At temperatures beneath the melting point, the fraction of FCC local structure increases with decreasing concentrations of the larger size atoms, whereas a larger fraction of amorphous structure still remains in the solid state for higher concentrations of oversized atoms. This is because the effects of distortion and misfit are more significant for a nanoparticle having a higher concentration of oversized atoms. },
1010 Author = {Shin-Pon Ju and Cheng-I Weng and Yi-Yun Chang and Yung-Yun Chen},
1011 Date-Added = {2007-07-02 01:26:44 -0400},
1012 Date-Modified = {2007-07-02 01:26:56 -0400},
1013 Journal = {Nanotechnology},
1014 Local-Url = {file://localhost/Users/charles/Documents/Papers/Ju/2006.pdf},
1015 Number = {18},
1016 Pages = {4748-4757},
1017 Title = {The effect of added oversized elements on the microstructure of binary alloy nanoparticles},
1018 Url = {http://stacks.iop.org/0957-4484/17/4748},
1019 Volume = {17},
1020 Year = {2006}}
1021
1022 @article{Miracle:2006qy,
1023 Author = {Miracle, D. B.},
1024 Date-Added = {2007-07-01 16:38:41 -0400},
1025 Date-Modified = {2007-07-01 16:38:59 -0400},
1026 Journal = {Acta Materialia},
1027 Keywords = {Metallic glasses; Atomic structure; Modeling},
1028 Local-Url = {file://localhost/Users/charles/Documents/Papers/Miracle/2006.pdf},
1029 Number = {16},
1030 Pages = {4317--4336},
1031 Title = {The efficient cluster packing model - An atomic structural model for metallic glasses},
1032 Ty = {JOUR},
1033 Url = {http://www.sciencedirect.com/science/article/B6TW8-4KKFPJ4-1/2/3bbef4be6c2fefecca2370b67cc5f7e2},
1034 Volume = {54},
1035 Year = {2006}}
1036
1037 @article{Manai:2007fk,
1038 Author = {Manai, G. and Delogu, F.},
1039 Date-Added = {2007-07-01 16:29:22 -0400},
1040 Date-Modified = {2007-07-01 16:29:49 -0400},
1041 Journal = {Physica B: Condensed Matter},
1042 Keywords = {Molecular dynamics; Melting; Bulk metal; Nanocrystalline metal; Kinetics},
1043 Local-Url = {file://localhost/Users/charles/Documents/Papers/Manai/2007.pdf},
1044 Number = {1-2},
1045 Pages = {288--297},
1046 Title = {Numerical simulations of the melting behavior of bulk and nanometer-sized Cu systems},
1047 Ty = {JOUR},
1048 Url = {http://www.sciencedirect.com/science/article/B6TVH-4MMFJ3P-1/2/23cfabe81d2b2b75cf1322fff7438ea0},
1049 Volume = {392},
1050 Year = {2007}}
1051
1052 @article{Iwamatsu:2007lr,
1053 Author = {Iwamatsu, Masao},
1054 Date-Added = {2007-07-01 16:17:54 -0400},
1055 Date-Modified = {2007-07-01 16:18:30 -0400},
1056 Journal = {Materials Science and Engineering: A},
1057 Keywords = {Binary cluster; Icosahedral cluster; Binary alloy; Glass; Undercooled liquid},
1058 Local-Url = {file://localhost/Users/charles/Documents/Papers/Iwamatsu/2007.pdf},
1059 Pages = {975--978},
1060 Title = {Icosahedral binary clusters of glass-forming Lennard-Jones binary alloy},
1061 Title1 = {Proceedings of the 12th International Conference on Rapidly Quenched \& Metastable Materials},
1062 Ty = {JOUR},
1063 Url = {http://www.sciencedirect.com/science/article/B6TXD-4KPP4D7-12/2/068458774eaf66383a5a3eefe2118657},
1064 Volume = {449-451},
1065 Year = {2007}}
1066
1067 @article{HoneycuttJ.Dana_j100303a014,
1068 Author = {Honeycutt, J. Dana and Andersen, Hans C.},
1069 Date-Added = {2007-07-01 13:21:04 -0400},
1070 Date-Modified = {2007-07-01 13:21:24 -0400},
1071 Issn = {0022-3654},
1072 Journal = {Journal of Physical Chemistry},
1073 Local-Url = {file://localhost/Users/charles/Documents/Papers/Honeycutt/1987.pdf},
1074 Number = {19},
1075 Pages = {4950-4963},
1076 Title = {Molecular dynamics study of melting and freezing of small Lennard-Jones clusters},
1077 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/j100303a014},
1078 Volume = {91},
1079 Year = {1987}}
1080
1081 @article{PhysRevLett.60.2295,
1082 Author = {J\'onsson, Hannes and Andersen, Hans C.},
1083 Date-Added = {2007-07-01 13:05:37 -0400},
1084 Date-Modified = {2007-07-01 13:06:07 -0400},
1085 Doi = {10.1103/PhysRevLett.60.2295},
1086 Journal = {Phys. Rev. Lett.},
1087 Local-Url = {file://localhost/Users/charles/Documents/Papers/J%5C'onsson/1988.pdf},
1088 Month = {May},
1089 Number = {22},
1090 Numpages = {3},
1091 Pages = {2295--2298},
1092 Publisher = {American Physical Society},
1093 Title = {Icosahedral Ordering in the Lennard-Jones Liquid and Glass},
1094 Volume = {60},
1095 Year = {1988}}
1096
1097 @article{Buscaglia:1997fk,
1098 Author = {Gustavo C. Buscaglia and Enzo A. Dari},
1099 Date-Added = {2007-06-15 13:34:55 -0400},
1100 Date-Modified = {2007-06-15 13:37:30 -0400},
1101 Journal = {International Journal for Numerical Methods in Engineering},
1102 Local-Url = {file://localhost/Users/charles/Documents/Papers/Buscaglia/1997.pdf},
1103 Number = {22},
1104 Pages = {4119-4136},
1105 Title = {Anisotropic mesh optimization and its application in adaptivity},
1106 Volume = {40},
1107 Year = {1997}}
1108
1109 @article{Guymon:2005fk,
1110 Author = {C.G. Guymon and R.L. Rowley and J. N. Harb and D.R. Wheeler},
1111 Date-Added = {2007-06-07 14:31:36 -0400},
1112 Date-Modified = {2007-06-07 14:34:21 -0400},
1113 Journal = {Condensed Matter Physics},
1114 Local-Url = {file://localhost/Users/charles/Documents/Papers/Guymon/2005.pdf},
1115 Number = {2},
1116 Pages = {335-356},
1117 Title = {Simulating an electrochemical interface using charge dynamics},
1118 Volume = {8},
1119 Year = {2005}}
1120
1121 @article{MURRAY:1984lr,
1122 Author = {Murray, J. L.},
1123 Date-Added = {2007-05-16 15:08:28 -0400},
1124 Date-Modified = {2007-05-16 15:17:54 -0400},
1125 Isi = {ISI:A1984SC15900002},
1126 Issn = {0360-2133},
1127 Journal = {Metall Trans},
1128 Number = {2},
1129 Pages = {261-268},
1130 Publication-Type = {J},
1131 Title = {CALCULATIONS OF STABLE AND METASTABLE EQUILIBRIUM DIAGRAMS OF THE AG-CU AND CD-ZN SYSTEMS},
1132 Volume = {15},
1133 Year = {1984}}
1134
1135 @misc{kimura-quantum,
1136 Author = {Y. Kimura and T. Cagin},
1137 Date-Added = {2007-05-15 16:46:32 -0400},
1138 Date-Modified = {2007-05-15 17:56:21 -0400},
1139 Local-Url = {file://localhost/Users/charles/Documents/Papers/Goddard%20III/51.pdf},
1140 Text = {Y. Kimura, T. Cagin, and W. A. Goddard III, The Quantum Sutton-Chen ManyBody Potential for Properties of FCC metals, Phys. Rev., to be submitted.},
1141 Title = {The Quantum Sutton-Chen ManyBody Potential for Properties of FCC metals},
1142 Url = {citeseer.ist.psu.edu/150963.html}}
1143
1144 @article{neubauer:046106,
1145 Author = {H. Neubauer and S. G. Mayr},
1146 Date-Added = {2007-05-10 17:42:37 -0400},
1147 Date-Modified = {2007-05-10 17:49:52 -0400},
1148 Eid = {046106},
1149 Journal = {Journal of Applied Physics},
1150 Keywords = {copper alloys; gold alloys; nanostructured materials; metal clusters; liquid alloys; molecular dynamics method; surface energy; fluctuations; rotation},
1151 Local-Url = {file://localhost/Users/charles/Documents/Papers/Neubauer/2007.pdf},
1152 Number = {4},
1153 Numpages = {3},
1154 Pages = {046106},
1155 Publisher = {AIP},
1156 Title = {Dealloying of liquid CuAu nanoclusters during rotary motion: A molecular dynamics study},
1157 Url = {http://link.aip.org/link/?JAP/101/046106/1},
1158 Volume = {101},
1159 Year = {2007}}
1160
1161 @article{0965-0393-7-2-005,
1162 Abstract = {The multilayer relaxation at (100), (110), (111), (210), (211), (310), (311) and (331) surfaces of the fcc metals Cu, Ag, Au, Ni, Pd, Pt, Al and Pb are calculated using the modified embedded atom method. The `anomalous' outward relaxation at Al (100), (111), Pt (111), and Cu (111) surfaces is described correctly. The relief of surface stress and tension on the relaxation is studied on (111), (100) and (110) surfaces. In general, the surface stress in the direction of the surface normal determines the relaxation direction except for the Al (110) surface. When the surface stress is negative, the surface relaxation is inward; otherwise, the relaxation is outward. An interesting result is that the surface tension does not always decrease after relaxation. The outward relaxation will induce the increase in surface tension while the inward relaxation induces the decrease in surface tension. },
1163 Author = {Jun Wan and Y L Fan and D W Gong and S G Shen and X Q Fan},
1164 Date-Added = {2007-05-08 16:04:42 -0400},
1165 Date-Modified = {2007-05-08 16:04:50 -0400},
1166 Journal = {Modelling and Simulation in Materials Science and Engineering},
1167 Local-Url = {file://localhost/Users/charles/Documents/Papers/Wan/1999.pdf},
1168 Number = {2},
1169 Pages = {189-206},
1170 Title = {Surface relaxation and stress of fcc metals: Cu, Ag, Au, Ni, Pd, Pt, Al and Pb},
1171 Url = {http://stacks.iop.org/0965-0393/7/189},
1172 Volume = {7},
1173 Year = {1999}}
1174
1175 @article{Chen:2001qy,
1176 Author = {Chen, M. and Yang, C. and Guo, Z. Y.},
1177 Date-Added = {2007-05-08 15:48:11 -0400},
1178 Date-Modified = {2007-05-08 15:48:22 -0400},
1179 Journal = {International Journal of Thermophysics},
1180 Local-Url = {file://localhost/Users/charles/Documents/Papers/fulltext.pdf},
1181 M3 = {10.1023/A:1010632813438},
1182 Number = {4},
1183 Pages = {1295--1302},
1184 Title = {Surface Tension of Ni-Cu Alloys: A Molecular Simulation Approach},
1185 Ty = {JOUR},
1186 Url = {http://dx.doi.org/10.1023/A:1010632813438},
1187 Volume = {22},
1188 Year = {2001}}
1189
1190 @article{Bondi:1964fk,
1191 Author = {A. Bondi},
1192 Date-Added = {2007-05-08 14:44:17 -0400},
1193 Date-Modified = {2007-05-08 14:45:19 -0400},
1194 Journal = {J. Phys. Chem.},
1195 Number = {3},
1196 Pages = {441-451},
1197 Title = {van der Waals Volumes and Radii},
1198 Volume = {63},
1199 Year = {1964}}
1200
1201 @article{0957-0233-16-2-015,
1202 Abstract = {It is usually known that the surface tension of liquid metals and alloys decreases with increasing temperature, i.e., the temperature dependence of the surface tension is negative. We found, however, that some liquid alloys, which have large difference of the surface tension of pure components, show positive temperature dependence in certain composition ranges. Some Pb-free alloys, for which information on the surface tension is indispensable to be developed as environmental-friendly material, can be listed in this special category. The experimental results and the thermodynamic analysis of the temperature dependence of those alloys are discussed in the paper. },
1203 Author = {Joonho Lee and Wataru Shimoda and Toshihiro Tanaka},
1204 Date-Added = {2007-05-08 13:32:00 -0400},
1205 Date-Modified = {2007-05-08 13:32:14 -0400},
1206 Journal = {Measurement Science and Technology},
1207 Local-Url = {file://localhost/Users/charles/Documents/Papers/mst5_2_015.pdf},
1208 Number = {2},
1209 Pages = {438-442},
1210 Title = {Temperature dependence of surface tension of liquid Sn\–Ag, In\–Ag and In\–Cu alloys},
1211 Url = {http://stacks.iop.org/0957-0233/16/438},
1212 Volume = {16},
1213 Year = {2005}}
1214
1215 @article{PhysRevLett.75.4043,
1216 Author = {Egry, Ivan and Lohoefer, Georg and Jacobs, Gerd},
1217 Date-Added = {2007-05-08 13:24:35 -0400},
1218 Date-Modified = {2007-05-08 13:24:35 -0400},
1219 Doi = {10.1103/PhysRevLett.75.4043},
1220 Journal = {Phys. Rev. Lett.},
1221 Month = {Nov},
1222 Number = {22},
1223 Numpages = {3},
1224 Pages = {4043--4046},
1225 Publisher = {American Physical Society},
1226 Title = {Surface Tension of Liquid Metals: Results from Measurements on Ground and in Space},
1227 Volume = {75},
1228 Year = {1995}}
1229
1230 @article{mendez-villuendas:185503,
1231 Author = {Eduardo Mendez-Villuendas and Richard K. Bowles},
1232 Date-Added = {2007-05-08 13:19:27 -0400},
1233 Date-Modified = {2007-05-08 13:19:42 -0400},
1234 Eid = {185503},
1235 Journal = {Physical Review Letters},
1236 Local-Url = {file://localhost/Users/charles/Documents/Papers/PhysRevLett_98_185503.pdf},
1237 Number = {18},
1238 Numpages = {4},
1239 Pages = {185503},
1240 Publisher = {APS},
1241 Title = {Surface Nucleation in the Freezing of Gold Nanoparticles},
1242 Url = {http://link.aps.org/abstract/PRL/v98/e185503},
1243 Volume = {98},
1244 Year = {2007}}
1245
1246 @misc{garai-2006,
1247 Author = {Jozsef Garai},
1248 Date-Added = {2007-05-08 13:13:26 -0400},
1249 Date-Modified = {2007-05-08 13:13:38 -0400},
1250 Local-Url = {file://localhost/Users/charles/Documents/Papers/Surf_tension_vap.pdf},
1251 Title = {Atomic Model for the Latent Heat of Vaporization},
1252 Url = {http://www.citebase.org/abstract?id=oai:arXiv.org:physics/0611289},
1253 Year = {2006}}
1254
1255 @article{garai:023514,
1256 Author = {J. Garai and A. Laugier},
1257 Date-Added = {2007-05-08 13:08:58 -0400},
1258 Date-Modified = {2007-05-08 13:09:20 -0400},
1259 Eid = {023514},
1260 Journal = {Journal of Applied Physics},
1261 Keywords = {elastic moduli; thermal expansion; silver; gold; magnesium compounds; alumina; iron compounds; calcium compounds; sodium compounds; potassium compounds; high-pressure effects},
1262 Local-Url = {file://localhost/Users/charles/Documents/Papers/JApplPhys_101_023514.pdf},
1263 Number = {2},
1264 Numpages = {4},
1265 Pages = {023514},
1266 Publisher = {AIP},
1267 Title = {The temperature dependence of the isothermal bulk modulus at 1 bar pressure},
1268 Url = {http://link.aip.org/link/?JAP/101/023514/1},
1269 Volume = {101},
1270 Year = {2007}}
1271
1272 @article{PhysRevB.59.15990,
1273 Author = {Ruban, A. V. and Skriver, H. L. and N\o{}rskov, J. K.},
1274 Date-Added = {2007-05-07 11:33:33 -0400},
1275 Date-Modified = {2007-05-07 11:34:34 -0400},
1276 Doi = {10.1103/PhysRevB.59.15990},
1277 Journal = {Phys. Rev. B},
1278 Local-Url = {file://localhost/Users/charles/Documents/Papers/p15990_1.pdf},
1279 Month = {Jun},
1280 Number = {24},
1281 Numpages = {10},
1282 Pages = {15990--16000},
1283 Publisher = {American Physical Society},
1284 Title = {Surface segregation energies in transition-metal alloys},
1285 Volume = {59},
1286 Year = {1999}}
1287
1288 @article{Ramirez-Caballero:2006lr,
1289 Abstract = {Classical molecular dynamics (MD) simulations are used to investigate the effect of the nanocluster size on surface segregation phenomena of Pt alloys containing 10, 30, 50, 70 and 90{\%} Pd. Atomic distribution is examined in graphite-supported nanoclusters with approximate diameters of 2 and 4 nm, using a simulated annealing procedure with temperatures varying from 1200 down to 353 K. Following this annealing route, it is found that at concentrations of Pd below a certain threshold, Pt segregates to the surface, whereas Pd segregates to the surface when the overall concentration of Pd is above that threshold. Moreover, the threshold concentration depends on the size, being approximately 50{\%} for the 2 nm nanocluster and in the order of 60{\%} for the 4 nm nanocluster. It is also found that the percent of the surface enriched either in Pt or Pd at a given overall concentration, as well as the nature of the exposed crystallographic faces, depend significantly on the cluster size. Our studies suggest that surface segregation behavior in Pt{\^a}Pd supported nanoclusters is influenced by: differences in surface energies, interaction of the clusters with the substrate, and probably most importantly by the fabrication protocol. The implications of these issues on catalytic processes are discussed. ABSTRACT FROM AUTHOR Copyright of Molecular Simulation is the property of Taylor \& Francis Ltd and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts)},
1290 Author = {Ramirez Caballero, G. E. and Balbuena, P. B.},
1291 Date-Added = {2007-05-04 12:08:33 -0400},
1292 Date-Modified = {2007-05-17 16:14:32 -0400},
1293 Isbn = {08927022},
1294 Journal = {Molecular Simulation},
1295 Keywords = {ALLOYS; METALLIC composites; MOLECULAR dynamics; NANOPARTICLES; SURFACE chemistry; Molecular dynamics; Bimetallic particles},
1296 Local-Url = {file://localhost/Users/charles/Documents/Papers/Ramirez%20Caballero/2006.pdf},
1297 M3 = {Article},
1298 Number = {3/4},
1299 Pages = {297-303},
1300 Publisher = {Taylor \& Francis Ltd},
1301 Title = {Surface segregation phenomena in {P}t{P}d nanoparticles: dependence on nanocluster size.},
1302 Url = {http://search.ebscohost.com/login.aspx?direct=true&db=aph&AN=21894920&site=ehost-live},
1303 Volume = {32},
1304 Year = {2006}}
1305
1306 @article{sankaranarayanan:155441,
1307 Author = {Subramanian K. R. S. Sankaranarayanan and Venkat R. Bhethanabotla and Babu Joseph},
1308 Date-Added = {2007-05-04 12:01:22 -0400},
1309 Date-Modified = {2007-05-04 12:01:28 -0400},
1310 Eid = {155441},
1311 Journal = {Physical Review B (Condensed Matter and Materials Physics)},
1312 Keywords = {molecular dynamics method; melting; platinum alloys; palladium alloys; nanowires; surface segregation; specific heat; diffusion; surface structure; solid-state phase transformations; thermal stability; annealing},
1313 Local-Url = {file://localhost/Users/charles/Desktop/Papers/PhysRevB_74_155441.pdf},
1314 Number = {15},
1315 Numpages = {12},
1316 Pages = {155441},
1317 Publisher = {APS},
1318 Title = {Molecular dynamics simulation study of the melting and structural evolution of bimetallic Pd-Pt nanowires},
1319 Url = {http://link.aps.org/abstract/PRB/v74/e155441},
1320 Volume = {74},
1321 Year = {2006}}
1322
1323 @article{RuuskaH._jp031022l,
1324 Affiliation = {Department of Chemical Engineering, Brigham Young University, Provo, Utah 84602},
1325 Author = {Ruuska, H. and Pakkanen, T.A. and Rowley, R.L.},
1326 Date-Added = {2007-05-01 18:24:50 -0400},
1327 Date-Modified = {2007-05-01 18:25:03 -0400},
1328 Issn = {1520-6106},
1329 Journal = {Journal of Physical Chemistry B},
1330 Local-Url = {file://localhost/Users/charles/Documents/Papers/jp031022l.pdf},
1331 Number = {8},
1332 Pages = {2614-2619},
1333 Title = {MP2 Study on Water Adsorption on Cluster Models of Cu(111)},
1334 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp031022l},
1335 Volume = {108},
1336 Year = {2004}}
1337
1338 @book{Goldberg1989,
1339 Address = {Boston, MA, USA},
1340 Author = {David E. Goldberg},
1341 Date-Added = {2007-04-26 16:43:54 -0400},
1342 Date-Modified = {2007-04-26 16:44:19 -0400},
1343 Isbn = {0201157675},
1344 Publisher = {Addison-Wesley Longman Publishing Co., Inc.},
1345 Title = {Genetic Algorithms in Search, Optimization and Machine Learning},
1346 Year = {1989}}
1347
1348 @article{fennell:9175,
1349 Author = {Christopher J. Fennell and J. Daniel Gezelter},
1350 Date-Added = {2007-04-26 16:40:20 -0400},
1351 Date-Modified = {2007-04-26 16:40:53 -0400},
1352 Journal = {The Journal of Chemical Physics},
1353 Keywords = {molecular dynamics method; self-diffusion; ice; water; supercooling; liquid structure; liquid theory},
1354 Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_120_9175.pdf},
1355 Number = {19},
1356 Pages = {9175-9184},
1357 Publisher = {AIP},
1358 Title = {On the structural and transport properties of the soft sticky dipole and related single-point water models},
1359 Url = {http://link.aip.org/link/?JCP/120/9175/1},
1360 Volume = {120},
1361 Year = {2004}}
1362
1363 @article{LiuY._jp952324t,
1364 Affiliation = {Departments of Biochemistry and Biophysics and of Chemistry, Washington State University, Pullman, Washington 99164-4660},
1365 Author = {Liu, Y. and Ichiye, T.},
1366 Date-Added = {2007-04-26 16:38:23 -0400},
1367 Date-Modified = {2007-04-26 16:38:54 -0400},
1368 Issn = {0022-3654},
1369 Journal = {Journal of Physical Chemistry},
1370 Local-Url = {file://localhost/Users/charles/Documents/Papers/jp952324t.pdf},
1371 Number = {7},
1372 Pages = {2723-2730},
1373 Title = {Soft Sticky Dipole Potential for Liquid Water: A New Model},
1374 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp952324t},
1375 Volume = {100},
1376 Year = {1996}}
1377
1378 @article{PhysRevB.33.7983,
1379 Author = {Foiles, S. M. and Baskes, M. I. and Daw, M. S.},
1380 Date-Added = {2007-04-24 19:12:57 -0400},
1381 Date-Modified = {2007-04-24 19:14:30 -0400},
1382 Doi = {10.1103/PhysRevB.33.7983},
1383 Journal = {Phys. Rev. B},
1384 Local-Url = {file://localhost/Users/charles/Documents/Papers/p7983_1.pdf},
1385 Month = {Jun},
1386 Number = {12},
1387 Numpages = {8},
1388 Pages = {7983--7991},
1389 Publisher = {American Physical Society},
1390 Title = {Embedded-atom-method functions for the fcc metals {C}u, {A}g, {A}u, {N}i, {P}d, {P}t, and their alloys},
1391 Volume = {33},
1392 Year = {1986}}
1393
1394 @url{Center:uq,
1395 Author = {http://www.qhull.org},
1396 Date-Added = {2007-04-24 18:04:23 -0400},
1397 Date-Modified = {2007-04-24 18:06:31 -0400},
1398 Title = {QHull},
1399 Url = {http://www.qhull.org},
1400 Urldate = {2007}}
1401
1402 @article{barber96quickhull,
1403 Author = {C. Bradford Barber and David P. Dobkin and Hannu Huhdanpaa},
1404 Date-Added = {2007-04-24 18:03:53 -0400},
1405 Date-Modified = {2007-04-24 18:03:53 -0400},
1406 Journal = {ACM Transactions on Mathematical Software},
1407 Number = {4},
1408 Pages = {469--483},
1409 Title = {The Quickhull Algorithm for Convex Hulls},
1410 Url = {citeseer.ist.psu.edu/article/barber95quickhull.html},
1411 Volume = {22},
1412 Year = {1996}}
1413
1414 @article{II:2007fk,
1415 Author = {Charles ~F. {Vardeman II} and J. Daniel Gezelter},
1416 Date-Added = {2007-04-24 17:54:43 -0400},
1417 Date-Modified = {2007-04-24 17:57:35 -0400},
1418 Journal = {In Preperation},
1419 Year = {2007}}
1420
1421 @article{HartlandG.V._jp0276092,
1422 Affiliation = {Department of Mathematics and Statistics, The University of Melbourne, Victoria 3010, Australia},
1423 Author = {Hartland, G.V. and Hu, M. and Sader, J.E.},
1424 Date-Added = {2007-04-24 17:45:57 -0400},
1425 Date-Modified = {2007-04-24 17:46:53 -0400},
1426 Issn = {1520-6106},
1427 Journal = {Journal of Physical Chemistry B},
1428 Local-Url = {file://localhost/Users/charles/Documents/Papers/jp0276092.pdf},
1429 Number = {30},
1430 Pages = {7472-7478},
1431 Title = {Softening of the Symmetric Breathing Mode in Gold Particles by Laser-Induced Heating},
1432 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp0276092},
1433 Volume = {107},
1434 Year = {2003}}
1435
1436 @book{Tu:1992uq,
1437 Author = {K. N. Tu and J. W. Mayer},
1438 Date-Added = {2007-04-24 17:27:23 -0400},
1439 Date-Modified = {2007-04-24 17:29:08 -0400},
1440 Publisher = {Macmillian: New York},
1441 Title = {Electronic Thin Film Science},
1442 Year = {1992}}
1443
1444 @article{Williams:1970fk,
1445 Author = {Graham Williams and David C. Watts},
1446 Date-Added = {2007-04-24 17:02:39 -0400},
1447 Date-Modified = {2007-04-24 17:50:10 -0400},
1448 Journal = {Trans. Faraday Soc.},
1449 Local-Url = {file://localhost/Users/charles/Documents/Papers/KWW%20paper.pdf},
1450 Pages = {80-85},
1451 Title = {Non-symmeric dielectric relaxation behaviour arising from a simple empirical decay function},
1452 Volume = {66},
1453 Year = {1970}}
1454
1455 @article{kumar:204508,
1456 Author = {V. Senthil Kumar and V. Kumaran},
1457 Date-Added = {2007-02-21 15:46:43 -0500},
1458 Date-Modified = {2007-02-21 15:47:50 -0500},
1459 Eid = {204508},
1460 Journal = {The Journal of Chemical Physics},
1461 Keywords = {freezing; nucleation; phase equilibrium; stacking faults},
1462 Local-Url = {file://localhost/Users/charles/Documents/Papers/Kumar/2006.pdf},
1463 Number = {20},
1464 Numpages = {11},
1465 Pages = {204508},
1466 Publisher = {AIP},
1467 Title = {Bond-orientational analysis of hard-disk and hard-sphere structures},
1468 Url = {http://link.aip.org/link/?JCP/124/204508/1},
1469 Volume = {124},
1470 Year = {2006}}
1471
1472 @article{http://dx.doi.org/10.1039/b312640b,
1473 Abstract = {We explore, with the use of extensive molecular dynamics simulations, several principal issues pertaining to the energetics of formation of superlattices made through the assembly of passivated nanoclusters, the interactions that underlie the cohesion of such superlattices, and the unique mechanical, thermal and structural properties that they exhibit. Our investigations focus on assemblies made of crystalline gold nanoclusters of variable sizes, passivated by monolayers of alkylthiol molecules. An analytic optimal packing model that correlates in a unified manner several structural characteristics of three-dimensional superlattice assemblies is developed. The model successfully organizes and systematizes a large amount of experimental and simulation data, and it predicts the phase-boundary between different superlattice structural motifs that evolve as a function of the ratio between the chain-length of the extended passivating molecules and the radius of the underlying gold nanocluster. The entropic contribution to the formation free energy of the superlattice assembly is found to be large and of similar magnitude as the potential energy component of the free energy. The major contribution to the cohesive potential energy of the superlattice is shown to originate from van der Waals interactions between molecules that passivate neighboring nanoclusters. The unique mechanical, thermal, thermomechanical, and thermostructural properties of passivated nanocluster assemblies, are discussed.},
1474 Author = {Uzi Landman and W. D. Luedtke},
1475 Date-Added = {2007-02-20 19:42:37 -0500},
1476 Date-Modified = {2007-02-20 19:43:02 -0500},
1477 Doi = {10.1039/b312640b},
1478 Journal = {Faraday Discussions},
1479 Local-Url = {file://localhost/Users/charles/Documents/Papers/Landman/2004.pdf},
1480 Pages = {1--22},
1481 Title = {Small is different: energetic, structural, thermal, and mechanical properties of passivated nanocluster assemblies},
1482 Url = {http://dx.doi.org/10.1039/b312640b},
1483 Volume = {125},
1484 Year = {2004}}
1485
1486 @article{PhysRevLett.89.275502,
1487 Author = {Nam, H.-S. and Hwang, Nong M. and Yu, B. D. and Yoon, J.-K.},
1488 Date-Added = {2007-02-20 19:13:35 -0500},
1489 Date-Modified = {2007-02-20 19:13:56 -0500},
1490 Doi = {10.1103/PhysRevLett.89.275502},
1491 Journal = {Phys. Rev. Lett.},
1492 Local-Url = {file://localhost/Users/charles/Documents/Papers/Nam/2002.pdf},
1493 Month = {Dec},
1494 Number = {27},
1495 Numpages = {4},
1496 Pages = {275502},
1497 Publisher = {American Physical Society},
1498 Title = {Formation of an Icosahedral Structure during the Freezing of Gold Nanoclusters: Surface-Induced Mechanism},
1499 Volume = {89},
1500 Year = {2002}}
1501
1502 @article{LarsonI._la970029p,
1503 Affiliation = {Advanced Mineral Products Special Research Centre, University of Melbourne, Parkville, Victoria 3052, Australia, and CSIRO Division of Chemicals and Polymers, Private Bag 10, Rosebank MDC, Clayton, Victoria 3169, Australia},
1504 Author = {Larson, I. and Chan, D.Y.C. and Drummond, C.J. and Grieser, F.},
1505 Date-Added = {2007-02-20 19:05:40 -0500},
1506 Date-Modified = {2007-02-20 19:05:47 -0500},
1507 Issn = {0743-7463},
1508 Journal = {Langmuir},
1509 Local-Url = {file://localhost/Users/charles/Documents/Papers/Larson/1997.pdf},
1510 Number = {9},
1511 Pages = {2429-2431},
1512 Title = {Use of Atomic Force Microscopy Force Measurements To Monitor Citrate Displacement by Amines on Gold in Aqueous Solution},
1513 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/la970029p},
1514 Volume = {13},
1515 Year = {1997}}
1516
1517 @article{PillaiZ.S._jp037018r,
1518 Affiliation = {Notre Dame Radiation Laboratory, Notre Dame, Indiana 46556-0579},
1519 Author = {Pillai, Z.S. and Kamat, P.V.},
1520 Date-Added = {2007-02-20 18:59:05 -0500},
1521 Date-Modified = {2007-02-20 18:59:19 -0500},
1522 Issn = {1520-6106},
1523 Journal = {Journal of Physical Chemistry B},
1524 Local-Url = {file://localhost/Users/charles/Documents/Papers/Pillai/2004.pdf},
1525 Number = {3},
1526 Pages = {945-951},
1527 Title = {What Factors Control the Size and Shape of Silver Nanoparticles in the Citrate Ion Reduction Method?},
1528 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp037018r},
1529 Volume = {108},
1530 Year = {2004}}
1531
1532 @article{HengleinA._la981278w,
1533 Affiliation = {Notre Dame Radiation Laboratory and Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556-0579},
1534 Author = {Henglein, A. and Meisel, D.},
1535 Date-Added = {2007-02-20 18:35:29 -0500},
1536 Date-Modified = {2007-02-20 18:35:49 -0500},
1537 Issn = {0743-7463},
1538 Journal = {Langmuir},
1539 Local-Url = {file://localhost/Users/charles/Documents/Papers/Henglein/1998.pdf},
1540 Number = {26},
1541 Pages = {7392-7396},
1542 Title = {Radiolytic Control of the Size of Colloidal Gold Nanoparticles},
1543 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/la981278w},
1544 Volume = {14},
1545 Year = {1998}}
1546
1547 @article{PhysRevE.56.4135,
1548 Author = {Bertolini, Davide and Tani, Alessandro},
1549 Date-Added = {2007-02-16 15:30:56 -0500},
1550 Date-Modified = {2007-02-16 15:31:04 -0500},
1551 Doi = {10.1103/PhysRevE.56.4135},
1552 Journal = {Phys. Rev. E},
1553 Local-Url = {file://localhost/Users/charles/Documents/Papers/Bertolini/1997.pdf},
1554 Month = {Oct},
1555 Number = {4},
1556 Numpages = {16},
1557 Pages = {4135--4151},
1558 Publisher = {American Physical Society},
1559 Title = {Thermal conductivity of water: Molecular dynamics and generalized hydrodynamics results},
1560 Volume = {56},
1561 Year = {1997}}
1562
1563 @article{Tokumasu:2004lr,
1564 Abstract = {The thermal conductivity of diatomic liquids was analyzed using a nonequilibrium molecular dynamics (NEMD) method. Five liquids, namely, O2, CO, CS2, Cl2 and Br2, were assumed. The two-center Lennard-Jones (2CLJ) model was used to express the intermolecular potential acting on liquid molecules. First, the equation of state of each liquid was obtained using MD simulation, and the critical temperature, density and pressure of each liquid were determined. Heat conduction of each liquid at various liquid states {$[$}metastable ({$[$}rho{$]$}=1.9{$[$}rho{$]$}cr), saturated ({$[$}rho{$]$}=2.1{$[$}rho{$]$}cr), and stable ({$[$}rho{$]$}=2.3{$[$}rho{$]$}cr){$]$} at T=0.7Tcr was simulated and the thermal conductivity was estimated. These values were compared with experimental results and it was confirmed that the simulated results were consistent with the experimental data within 10{\%}. Obtained thermal conductivities at saturated state were reduced by the critical temperature, density and mass of molecules and these values were compared with each other. It was found that the reduced thermal conductivity increased with the increase in the molecular elongation. Detailed analysis of the molecular contribution to the thermal conductivity revealed that the contribution of the heat flux caused by energy transport and by translational energy transfer to the thermal conductivity is independent of the molecular elongation while the contribution of the heat flux caused by rotational energy transfer to the thermal conductivity increases with the increase in the molecular elongation. Moreover, by comparing the reduced thermal conductivity at various states, it was found that the increase of thermal conductivity with the increase in the density, or pressure, was caused by the increase of the contribution of energy transfer due to molecular interaction.},
1565 Author = {Tokumasu, Takashi and Kamijo, Kenjiro},
1566 Date-Added = {2007-02-16 15:23:00 -0500},
1567 Date-Modified = {2007-02-16 15:24:21 -0500},
1568 Journal = {Superlattices and Microstructures},
1569 Keywords = {Thermal conductivity; Nonequilibrium molecular dynamics; Diatomic liquid; Molecular elongation; Critical point},
1570 Local-Url = {file://localhost/Users/charles/Documents/Papers/Tokumasu/2004.pdf},
1571 Number = {3-6},
1572 Pages = {217--225},
1573 Title = {Molecular dynamics study for the thermal conductivity of diatomic liquid; Eurotherm 75 'Microscale Heat Transfer 2'},
1574 Ty = {JOUR},
1575 Url = {http://www.sciencedirect.com/science/article/B6WXB-4CDJD1N-4/2/069b3dce0464dd2de1e61d14079e19d4},
1576 Volume = {35},
1577 Year = {2004}}
1578
1579 @article{VardemanC.F._jp051575r,
1580 Affiliation = {Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556},
1581 Author = {Vardeman, C.F. and Conforti, P.F. and Sprague, M.M. and Gezelter, J.D.},
1582 Date-Added = {2007-02-14 17:29:20 -0500},
1583 Date-Modified = {2007-02-16 15:23:00 -0500},
1584 Issn = {1520-6106},
1585 Journal = {Journal of Physical Chemistry B},
1586 Local-Url = {file://localhost/Users/charles/Documents/Papers/Vardeman/2005.pdf},
1587 Number = {35},
1588 Pages = {16695-16699},
1589 Title = {Breathing Mode Dynamics and Elastic Properties of Gold Nanoparticles},
1590 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp051575r},
1591 Volume = {109},
1592 Year = {2005}}
1593
1594 @article{PhysRevB.66.224301,
1595 Author = {Wilson, Orla M. and Hu, Xiaoyuan and Cahill, David G. and Braun, Paul V.},
1596 Date-Added = {2007-02-09 18:52:24 -0500},
1597 Date-Modified = {2007-02-16 15:23:00 -0500},
1598 Doi = {10.1103/PhysRevB.66.224301},
1599 Journal = {Phys. Rev. B},
1600 Local-Url = {file://localhost/Users/charles/Documents/Papers/Wilson/2002.pdf},
1601 Month = {Dec},
1602 Number = {22},
1603 Numpages = {6},
1604 Pages = {224301},
1605 Publisher = {American Physical Society},
1606 Title = {Colloidal metal particles as probes of nanoscale thermal transport in fluids},
1607 Volume = {66},
1608 Year = {2002}}
1609
1610 @article{PhysRevB.59.3527,
1611 Author = {Qi, Yue and \c{C}a\v{g}in, Tahir and Kimura, Yoshitaka and {Goddard III}, William A.},
1612 Date-Added = {2007-02-09 18:34:34 -0500},
1613 Date-Modified = {2007-05-16 15:04:34 -0400},
1614 Doi = {10.1103/PhysRevB.59.3527},
1615 Journal = {Phys. Rev. B},
1616 Local-Url = {file://localhost/Users/charles/Documents/Papers/Qi/1999.pdf},
1617 Month = {Feb},
1618 Number = {5},
1619 Numpages = {6},
1620 Pages = {3527--3533},
1621 Publisher = {American Physical Society},
1622 Title = {Molecular-dynamics simulations of glass formation and crystallization in binary liquid metals:\quad{}{C}u-{A}g and {C}u-{N}i},
1623 Volume = {59},
1624 Year = {1999}}
1625
1626 @article{bhowmick:164513,
1627 Author = {Somnath Bhowmick and Vijay B. Shenoy},
1628 Date-Added = {2007-02-09 18:16:54 -0500},
1629 Date-Modified = {2007-02-16 15:23:00 -0500},
1630 Eid = {164513},
1631 Journal = {The Journal of Chemical Physics},
1632 Keywords = {stress effects; thermal conductivity; molecular dynamics method},
1633 Local-Url = {file://localhost/Users/charles/Documents/Papers/Bhowmick/2006.pdf},
1634 Number = {16},
1635 Numpages = {6},
1636 Pages = {164513},
1637 Publisher = {AIP},
1638 Title = {Effect of strain on the thermal conductivity of solids},
1639 Url = {http://link.aip.org/link/?JCP/125/164513/1},
1640 Volume = {125},
1641 Year = {2006}}
1642
1643 @article{che:6888,
1644 Author = {Jianwei Che and Tahir Cagin and Weiqiao Deng and William A. Goddard III},
1645 Date-Added = {2007-02-09 18:02:08 -0500},
1646 Date-Modified = {2007-02-16 15:23:00 -0500},
1647 Journal = {The Journal of Chemical Physics},
1648 Keywords = {diamond; thermal conductivity; digital simulation; vacancies (crystal); Green's function methods; isotope effects},
1649 Local-Url = {file://localhost/Users/charles/Documents/Papers/Che/2000.pdf},
1650 Number = {16},
1651 Pages = {6888-6900},
1652 Publisher = {AIP},
1653 Title = {Thermal conductivity of diamond and related materials from molecular dynamics simulations},
1654 Url = {http://link.aip.org/link/?JCP/113/6888/1},
1655 Volume = {113},
1656 Year = {2000}}
1657
1658 @article{Kob:1999fk,
1659 Abstract = {After a brief introduction to the dynamics of supercooled liquids, we discuss some of the advantages and drawbacks of computer simulations of such systems. Subsequently we present the results of computer simulations in which the dynamics of a fragile glass former, a binary Lennard-Jones system, is compared to that of a strong glass former, SiO$_{2}$. This comparison gives evidence that the reason for the different temperature dependences of these two types of glass former lies in the transport mechanism for the particles in the vicinity of T$_{c}$, the critical temperature of mode-coupling theory. Whereas that for the fragile glass former is described very well by the ideal version of mode-coupling theory, that for the strong glass former is dominated by activated processes. In the last part of the article we review some simulations of glass formers in which the dynamics below the glass transition temperature was investigated. We show that such simulations might help to establish a connection between systems with self-generated disorder (e.g. structural glasses) and quenched disorder (e.g. spin glasses). },
1660 Author = {Walter Kob},
1661 Date-Added = {2007-02-07 14:13:30 -0500},
1662 Date-Modified = {2007-02-16 15:23:00 -0500},
1663 Journal = {Journal of Physics: Condensed Matter},
1664 Local-Url = {file://localhost/Users/charles/Documents/Papers/Kob/1999.pdf},
1665 Number = {10},
1666 Pages = {R85-R115},
1667 Title = {Computer simulations of supercooled liquids and glasses},
1668 Url = {http://stacks.iop.org/0953-8984/11/R85},
1669 Volume = {11},
1670 Year = {1999}}
1671
1672 @article{PhysRevB.61.5771,
1673 Author = {Soler, Jos\'e M. and Beltr\'an, Marcela R. and Michaelian, Karo and Garz\'on, Ignacio L. and Ordej\'on, Pablo and S\'anchez-Portal, Daniel and Artacho, Emilio},
1674 Date-Added = {2007-02-05 16:34:03 -0500},
1675 Date-Modified = {2007-02-16 15:23:00 -0500},
1676 Doi = {10.1103/PhysRevB.61.5771},
1677 Journal = {Phys. Rev. B},
1678 Local-Url = {file://localhost/Users/charles/Documents/Papers/Soler/2000.pdf},
1679 Month = {Feb},
1680 Number = {8},
1681 Numpages = {9},
1682 Pages = {5771--5780},
1683 Publisher = {American Physical Society},
1684 Title = {Metallic bonding and cluster structure},
1685 Volume = {61},
1686 Year = {2000}}
1687
1688 @article{0953-8984-14-26-101,
1689 Abstract = {We present a new method for constant-pressure molecular dynamics simulation which is parameter free. This method is especially appropriate for finite systems in which a periodic boundary condition does not apply. Simulations on carbon nanotubes and Ni nanoparticles clearly demonstrate the validity of the method, from which we can also easily obtain the equations of states for a finite system under external pressure. },
1690 Author = {D Y Sun and X G Gong},
1691 Date-Added = {2007-02-05 16:29:44 -0500},
1692 Date-Modified = {2007-02-16 15:23:00 -0500},
1693 Journal = {Journal of Physics: Condensed Matter},
1694 Local-Url = {file://localhost/Users/charles/Documents/Papers/Sun/2002.pdf},
1695 Number = {26},
1696 Pages = {L487-L493},
1697 Title = {A new constant-pressure molecular dynamics method for finite systems},
1698 Url = {http://stacks.iop.org/0953-8984/14/L487},
1699 Volume = {14},
1700 Year = {2002}}
1701
1702 @article{luo:145502,
1703 Author = {W. K. Luo and H. W. Sheng and F. M. Alamgir and J. M. Bai and J. H. He and E. Ma},
1704 Date-Added = {2007-01-08 14:00:22 -0500},
1705 Date-Modified = {2007-02-16 15:23:00 -0500},
1706 Eid = {145502},
1707 Journal = {Physical Review Letters},
1708 Keywords = {silver alloys; nickel alloys; noncrystalline structure; quasicrystals; EXAFS; XANES; Monte Carlo methods},
1709 Local-Url = {file://localhost/Users/charles/Documents/Papers/Luo/2004.pdf},
1710 Number = {14},
1711 Numpages = {4},
1712 Pages = {145502},
1713 Publisher = {APS},
1714 Title = {Icosahedral Short-Range Order in Amorphous Alloys},
1715 Url = {http://link.aps.org/abstract/PRL/v92/e145502},
1716 Volume = {92},
1717 Year = {2004}}
1718
1719 @article{HuangS.-P._jp0204206,
1720 Affiliation = {Department of Chemical Engineering, University of South Carolina, Columbia, South Carolina 29208},
1721 Author = {Huang, S.-P. and Balbuena, P.B.},
1722 Date-Added = {2007-01-08 12:42:05 -0500},
1723 Date-Modified = {2007-05-07 17:19:56 -0400},
1724 Issn = {1520-6106},
1725 Journal = {Journal of Physical Chemistry B},
1726 Local-Url = {file://localhost/Users/charles/Documents/Papers/Huang/2002.pdf},
1727 Number = {29},
1728 Pages = {7225-7236},
1729 Title = {Melting of Bimetallic {C}u-{N}i Nanoclusters},
1730 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp0204206},
1731 Volume = {106},
1732 Year = {2002}}
1733
1734 @article{Ju:2005qy,
1735 Address = {National Center for High-Performance Computing, No. 21, Nan-Ke 3rd Road, Hsin-Shi, Tainan, Taiwan, Republic of China},
1736 Author = {Ju, S. -P. and Lo, Y. -C. and Sun, S. -J. and Chang, J. -G.},
1737 Date-Added = {2007-01-03 18:29:53 -0500},
1738 Date-Modified = {2007-02-16 15:23:00 -0500},
1739 Isbn = {1520-6106},
1740 Ja = {J. Phys. Chem. B},
1741 Jo = {Journal of Physical Chemistry B},
1742 Journal = {Journal of Physical Chemistry B},
1743 Local-Url = {file://localhost/Users/charles/Documents/Papers/Ju/2005.pdf},
1744 Number = {44},
1745 Pages = {20805--20809},
1746 Title = {Investigation on the Structural Variation of Co-Cu Nanoparticles during the Annealing Process},
1747 Ty = {JOUR},
1748 Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp052803k},
1749 Volume = {109},
1750 Year = {2005}}
1751
1752 @article{luo:131927,
1753 Author = {W. K. Luo and H. W. Sheng and E. Ma},
1754 Date-Added = {2007-01-03 18:15:55 -0500},
1755 Date-Modified = {2007-02-16 15:23:00 -0500},
1756 Eid = {131927},
1757 Journal = {Applied Physics Letters},
1758 Keywords = {molecular dynamics method; amorphous state; alloys},
1759 Local-Url = {file://localhost/Users/charles/Documents/Papers/Luo/2006.pdf},
1760 Number = {13},
1761 Numpages = {3},
1762 Pages = {131927},
1763 Publisher = {AIP},
1764 Title = {Pair correlation functions and structural building schemes in amorphous alloys},
1765 Url = {http://link.aip.org/link/?APL/89/131927/1},
1766 Volume = {89},
1767 Year = {2006}}
1768
1769 @article{PhysRevLett.89.075507,
1770 Author = {Schenk, T. and Holland-Moritz, D. and Simonet, V. and Bellissent, R. and Herlach, D. M.},
1771 Date-Added = {2007-01-03 18:07:34 -0500},
1772 Date-Modified = {2007-02-16 15:23:00 -0500},
1773 Doi = {10.1103/PhysRevLett.89.075507},
1774 Journal = {Phys. Rev. Lett.},
1775 Local-Url = {file://localhost/Users/charles/Documents/Papers/Schenk/2002.pdf},
1776 Month = {Jul},
1777 Number = {7},
1778 Numpages = {4},
1779 Pages = {075507},
1780 Publisher = {American Physical Society},
1781 Title = {Icosahedral Short-Range Order in Deeply Undercooled Metallic Melts},
1782 Volume = {89},
1783 Year = {2002}}
1784
1785 @article{Ma:2005fk,
1786 Abstract = {The development and understanding of alloys is one of the most important themes of physical metallurgy. Over the past four decades, the progress in modern processing techniques has enabled researchers to artificially create an increasing number of new alloys in systems that are immiscible in thermodynamic equilibrium. This possibility of alloying elements between which no alloys exist in nature offers exciting opportunities for many physics, chemistry, and materials science endeavors. One of the obvious questions that needs to be answered is exactly what kind of alloys have been, and can be, obtained in these systems with positive heat of mixing, in terms of the uniformity, the presence of short-to-medium range chemical and topological order/clustering, and the energy state of the new alloy phases. This issue was not adequately addressed before because, until recent years, simple diffraction measurements constituted the main method for the characterization of the alloys produced. In this article, we survey the alloys created in binary systems with positive heat of mixing. Our emphasis is on a systematic examination of the atomic-level structure, and calorimetric determination of the positive enthalpy of mixing, of several model binary alloys created between immiscible elements, covering both amorphous and crystalline solid solutions. Vapor-deposited alloys will be our primary focus, but alloys prepared via other processing routes or modeled in computer simulations will also be discussed. The experimental characterization results recently obtained using local environment probes will be reviewed, together with the insight gained through computer atomistic simulations. The local structures uncovered will be correlated directly with the thermodynamic properties. A full account of the thermodynamic and kinetic aspects of the phase selection and the details of the transformation mechanisms involved, on the other hand, is a much broader subject to be dealt with in a separate review.},
1787 Author = {Ma, E.},
1788 Date-Added = {2007-01-03 18:04:41 -0500},
1789 Date-Modified = {2007-02-16 15:23:00 -0500},
1790 Journal = {Progress in Materials Science},
1791 Local-Url = {file://localhost/Users/charles/Documents/Papers/Ma/2005a.pdf},
1792 Number = {4},
1793 Pages = {413--509},
1794 Title = {Alloys created between immiscible elements},
1795 Ty = {JOUR},
1796 Url = {http://www.sciencedirect.com/science/article/B6TX1-4DDXN29-1/2/c79892bfea1714067d887cb627ada223},
1797 Volume = {50},
1798 Year = {2005}}
1799
1800 @article{2003RvMP...75..237F,
1801 Adsnote = {Provided by the Smithsonian/NASA Astrophysics Data System},
1802 Adsurl = {http://adsabs.harvard.edu/cgi-bin/nph-bib_query?bibcode=2003RvMP...75..237F&db_key=PHY},
1803 Author = {{Faupel}, F. and {Frank}, W. and {Macht}, M.-P. and {Mehrer}, H. and {Naundorf}, V. and {R{\"a}tzke}, K. and {Schober}, H.~R. and {Sharma}, S.~K. and {Teichler}, H.},
1804 Date-Added = {2007-01-03 17:57:24 -0500},
1805 Date-Modified = {2007-02-16 15:23:00 -0500},
1806 Doi = {10.1103/RevModPhys.75.237},
1807 Journal = {Reviews of Modern Physics},
1808 Month = feb,
1809 Pages = {237-280},
1810 Title = {{Diffusion in metallic glasses and supercooled melts}},
1811 Volume = 75,
1812 Year = 2003}
1813
1814 @article{KLEMENT:1960lr,
1815 Annote = {10.1038/187869b0},
1816 Author = {KLEMENT, W. , and WILLENS, R. H. and DUWEZ, POL},
1817 Date-Added = {2007-01-03 17:55:00 -0500},
1818 Date-Modified = {2007-02-16 15:23:00 -0500},
1819 Journal = {Nature},
1820 M3 = {10.1038/187869b0},
1821 Number = {4740},
1822 Pages = {869--870},
1823 Title = {Non-crystalline Structure in Solidified Gold-Silicon Alloys},
1824 Ty = {JOUR},
1825 Url = {http://dx.doi.org/10.1038/187869b0},
1826 Volume = {187},
1827 Year = {1960}}
1828
1829 @article{Buffat:1976yq,
1830 Author = {Ph. Buffat and J-P. Borel},
1831 Date-Added = {2007-01-03 17:50:30 -0500},
1832 Date-Modified = {2007-02-16 15:23:00 -0500},
1833 Journal = {Phys. Rev. A},
1834 Local-Url = {file://localhost/Users/charles/Documents/Papers/Buffat/1976.pdf},
1835 Pages = {2287--2298},
1836 Title = {Size effect on the melting temperature of gold particles},
1837 Volume = {13},
1838 Year = {1976}}
1839
1840 @article{De:1996ta,
1841 Author = {G. De and M. Gusso and L. Tapfer and M. Catalano and F. Gonella and G. Mattei and P. Mazzoldi and G. Battaglin},
1842 Date-Added = {2007-01-03 17:50:04 -0500},
1843 Date-Modified = {2007-02-16 15:23:00 -0500},
1844 Journal = {Journal of Applied Physics},
1845 Keywords = {COMPOSITE MATERIALS; SILVER; COPPER; SOLID CLUSTERS; SOL–GEL PROCESS; THIN FILMS; SILICA; ABSORPTION SPECTRA; RBS; XRD; TEM},
1846 Local-Url = {file://localhost/Users/charles/Documents/Papers/De/1996a.pdf},
1847 Number = {12},
1848 Pages = {6734-6739},
1849 Publisher = {AIP},
1850 Title = {Annealing behavior of silver, copper, and silver--copper nanoclusters in a silica matrix synthesized by the sol-gel technique},
1851 Url = {http://link.aip.org/link/?JAP/80/6734/1},
1852 Volume = {80},
1853 Year = {1996}}
1854
1855 @article{Mazzone:1997pe,
1856 Author = {G Mazzone and V Rosato},
1857 Date-Added = {2007-01-03 17:49:53 -0500},
1858 Date-Modified = {2007-02-16 15:23:00 -0500},
1859 Journal = {Phys. Rev. B},
1860 Local-Url = {file://localhost/Users/charles/Documents/Papers/Mazzone/1997.pdf},
1861 Number = {2},
1862 Pages = {837-842},
1863 Title = {Molecular-dynamics calculations of thermodynamics properties of metastable alloys},
1864 Volume = {55},
1865 Year = {1997}}
1866
1867 @article{Sheng:2002jo,
1868 Author = {Sheng, H. W. and Wilde, G. and Ma, E.},
1869 Date-Added = {2007-01-03 17:48:54 -0500},
1870 Date-Modified = {2007-02-16 15:23:00 -0500},
1871 Journal = {Acta Materialia},
1872 Local-Url = {file://localhost/Users/charles/Documents/Papers/Sheng/2002a.pdf},
1873 Number = {3},
1874 Pages = {475-488},
1875 Title = {The competing crystalline and amorphous solid solutions in the Ag-Cu system},
1876 Ty = {JOUR},
1877 Url = {http://www.sciencedirect.com/science/article/B6TW8-44W338F-3/2/3749f32cf6b1a4f8ebea936d508c9f87},
1878 Volume = {50},
1879 Year = {2002}}
1880
1881 @article{najafabadi:3144,
1882 Author = {R. Najafabadi and D. J. Srolovitz and E. Ma and M. Atzmon},
1883 Date-Added = {2007-01-03 17:48:54 -0500},
1884 Date-Modified = {2007-02-16 15:23:00 -0500},
1885 Journal = {Journal of Applied Physics},
1886 Keywords = {SILVER ALLOYS; COPPER ALLOYS; THERMODYNAMIC PROPERTIES; PHASE DIAGRAMS; COMPUTERIZED SIMULATION; CALORIMETRY; BINARY ALLOY SYSTEMS; FORMATION FREE ENTHALPY; LATTICE PARAMETERS; METASTABLE PHASES},
1887 Local-Url = {file://localhost/Users/charles/Documents/Papers/Najafabadi/1993.pdf},
1888 Number = {5},
1889 Pages = {3144-3149},
1890 Publisher = {AIP},
1891 Title = {Thermodynamic properties of metastable Ag-Cu alloys},
1892 Url = {http://link.aip.org/link/?JAP/74/3144/1},
1893 Volume = {74},
1894 Year = {1993}}
1895
1896 @article{duwez:1136,
1897 Author = {Pol Duwez and R. H. Willens and W. Klement and Jr},
1898 Date-Added = {2007-01-03 17:48:02 -0500},
1899 Date-Modified = {2007-02-16 15:23:00 -0500},
1900 Journal = {Journal of Applied Physics},
1901 Local-Url = {file://localhost/Users/charles/Documents/Papers/Duwez/1960.pdf},
1902 Number = {6},
1903 Pages = {1136-1137},
1904 Publisher = {AIP},
1905 Title = {Continuous Series of Metastable Solid Solutions in Silver-Copper Alloys},
1906 Url = {http://link.aip.org/link/?JAP/31/1136/2},
1907 Volume = {31},
1908 Year = {1960}}
1909
1910 @article{Banhart:1992sv,
1911 Author = {J Banhart and H Ebert and R Kuentzler and J Voitl\"{a}nder},
1912 Date-Added = {2007-01-03 17:48:02 -0500},
1913 Date-Modified = {2007-02-16 15:23:00 -0500},
1914 Local-Url = {file://localhost/Users/charles/Documents/Papers/Banhart/1992.pdf},
1915 Number = {16},
1916 Pages = {9968-9975},
1917 Title = {Electronic properties of single-phased metastable Ag-Cu alloys},
1918 Volume = {46},
1919 Year = {1992}}
1920
1921 @article{PhysRevB.67.155409,
1922 Author = {Gaudry, M. and Cottancin, E. and Pellarin, M. and Lerm\'e, J. and Arnaud, L. and Huntzinger, J. R. and Vialle, J. L. and Broyer, M. and Rousset, J. L. and Treilleux, M. and M\'elinon, P.},
1923 Date-Added = {2007-01-03 12:01:53 -0500},
1924 Date-Modified = {2007-02-16 15:23:00 -0500},
1925 Doi = {10.1103/PhysRevB.67.155409},
1926 Journal = {Phys. Rev. B},
1927 Local-Url = {file://localhost/Users/charles/Documents/Papers/Gaudry/2003.pdf},
1928 Month = {Apr},
1929 Number = {15},
1930 Numpages = {10},
1931 Pages = {155409},
1932 Publisher = {American Physical Society},
1933 Title = {Size and composition dependence in the optical properties of mixed (transition metal/noble metal) embedded clusters},
1934 Volume = {67},
1935 Year = {2003}}
1936
1937 @article{rapallo:194308,
1938 Author = {Arnaldo Rapallo and Giulia Rossi and Riccardo Ferrando and Alessandro Fortunelli and Benjamin C. Curley and Lesley D. Lloyd and Gary M. Tarbuck and Roy L. Johnston},
1939 Date-Added = {2006-12-30 15:20:37 -0500},
1940 Date-Modified = {2007-02-16 15:23:00 -0500},
1941 Eid = {194308},
1942 Journal = {The Journal of Chemical Physics},
1943 Keywords = {genetic algorithms; metal clusters; nanostructured materials; surface segregation; surface composition; optimisation; silver alloys; copper alloys; gold alloys; nickel alloys; chemical analysis},
1944 Local-Url = {file://localhost/Users/charles/Documents/Papers/Rapallo/2005.pdf},
1945 Number = {19},
1946 Numpages = {13},
1947 Pages = {194308},
1948 Publisher = {AIP},
1949 Title = {Global optimization of bimetallic cluster structures. I. Size-mismatched Ag--Cu, Ag--Ni, and Au--Cu systems},
1950 Url = {http://link.aip.org/link/?JCP/122/194308/1},
1951 Volume = {122},
1952 Year = {2005}}
1953
1954 @article{cheng:064117,
1955 Author = {Daojian Cheng and Shiping Huang and Wenchuan Wang},
1956 Date-Added = {2006-12-30 15:19:11 -0500},
1957 Date-Modified = {2007-02-16 15:23:00 -0500},
1958 Eid = {064117},
1959 Journal = {Physical Review B (Condensed Matter and Materials Physics)},
1960 Keywords = {copper alloys; gold alloys; metal clusters; melting; melting point; Monte Carlo methods; tight-binding calculations; specific heat; bond lengths; fluctuations; deformation; doping; surface segregation},
1961 Local-Url = {file://localhost/Users/charles/Documents/Papers/Cheng/2006.pdf},
1962 Number = {6},
1963 Numpages = {11},
1964 Pages = {064117},
1965 Publisher = {APS},
1966 Title = {Thermal behavior of core-shell and three-shell layered clusters: Melting of Cu[sub 1]Au[sub 54] and Cu[sub 12]Au[sub 43]},
1967 Url = {http://link.aps.org/abstract/PRB/v74/e064117},
1968 Volume = {74},
1969 Year = {2006}}
1970
1971 @article{rossi:105503,
1972 Author = {G. Rossi and A. Rapallo and C. Mottet and A. Fortunelli and F. Baletto and R. Ferrando},
1973 Date-Added = {2006-12-30 15:12:42 -0500},
1974 Date-Modified = {2007-02-16 15:23:00 -0500},
1975 Eid = {105503},
1976 Journal = {Physical Review Letters},
1977 Keywords = {metal clusters; nanoparticles; genetic algorithms; density functional theory; molecular dynamics method; potential energy functions; thermal stability; silver; nickel; copper; melting point; energy gap},
1978 Local-Url = {file://localhost/Users/charles/Documents/Papers/Rossi/2004.pdf},
1979 Number = {10},
1980 Numpages = {4},
1981 Pages = {105503},
1982 Publisher = {APS},
1983 Title = {Magic Polyicosahedral Core-Shell Clusters},
1984 Url = {http://link.aps.org/abstract/PRL/v93/e105503},
1985 Volume = {93},
1986 Year = {2004}}
1987
1988 @article{Hu:2005lr,
1989 Author = {Wangyu Hu and Shifang Xiao and Jianyu Yang and Zhi Zhang},
1990 Date-Added = {2006-12-30 15:06:16 -0500},
1991 Date-Modified = {2007-02-16 15:23:00 -0500},
1992 Journal = {The European Physical Journal B - Condensed Matter and Complex Systems},
1993 Local-Url = {file://localhost/Users/charles/Documents/Papers/Hu/2005.pdf},
1994 M3 = {10.1140/epjb/e2005-00210-8},
1995 Number = {4},
1996 Pages = {547--554},
1997 Title = {Melting evolution and diffusion behavior of vanadium nanoparticles},
1998 Ty = {JOUR},
1999 Url = {http://dx.doi.org/10.1140/epjb/e2005-00210-8},
2000 Volume = {V45},
2001 Year = {2005}}
2002
2003 @article{calvo:125414,
2004 Author = {F. Calvo and J. P. K. Doye},
2005 Date-Added = {2006-12-27 11:36:45 -0500},
2006 Date-Modified = {2007-02-16 15:23:00 -0500},
2007 Eid = {125414},
2008 Journal = {Physical Review B (Condensed Matter and Materials Physics)},
2009 Keywords = {metal clusters; nanostructured materials; phase diagrams; free energy; high-pressure effects},
2010 Local-Url = {file://localhost/Users/charles/Documents/Papers/Calvo/2004.pdf},
2011 Number = {12},
2012 Numpages = {6},
2013 Pages = {125414},
2014 Publisher = {APS},
2015 Title = {Pressure effects on the structure of nanoclusters},
2016 Url = {http://link.aps.org/abstract/PRB/v69/e125414},
2017 Volume = {69},
2018 Year = {2004}}
2019
2020 @article{Baltazar:2006lr,
2021 Abstract = {A compilation and an implementation of different methodologies to simulate NPT ensembles on finite systems is presented. In general, the methods discussed can be classified in two different groups depending on how the external pressure is applied to the system. The first approach is based on including the pressure with its conjugate thermodynamical variable, the volume, in the Lagrangian of the system. For this group four different volume definitions were considered and we assess their validity by studying the structural properties of small systems as function of pressure. In particular, we focus on the stability of the C60 molecule as well as the amorphization process of a diamond-like cluster under pressure. In the second group, the finite system (C60) is embedded in a classical fluid which serves as a pressure reservoir. We take the latter method as reference because it is closest to the experimental situation. The difficulties and the regimes where these methods can be used are also discussed.},
2022 Author = {Baltazar, S. E. and Romero, A. H. and Rodriguez-Lopez, J. L. and Terrones, H. and Martonak, R.},
2023 Date-Added = {2006-12-14 16:25:59 -0500},
2024 Date-Modified = {2007-02-16 15:23:00 -0500},
2025 Journal = {Computational Materials Science},
2026 Keywords = {High pressures, Finite systems, Volume, Molecular dynamics},
2027 Local-Url = {file://localhost/Users/charles/Documents/Papers/Baltazar/2006a.pdf},
2028 Number = {4},
2029 Pages = {526--536},
2030 Title = {Assessment of isobaric-isothermal (NPT) simulations for finite systems},
2031 Ty = {JOUR},
2032 Url = {http://www.sciencedirect.com/science/article/B6TWM-4J72YTH-1/2/47e99bb33e4cf899d96bcf83966fc4be},
2033 Volume = {37},
2034 Year = {2006}}
2035
2036 @article{Kohanoff:2005,
2037 Author = {Kohanoff, J and Caro, A and Finnis, MW},
2038 Date = {SEP 5},
2039 Date-Added = {2006-12-14 16:21:21 -0500},
2040 Date-Modified = {2007-04-23 13:17:24 -0400},
2041 Journal = CHEMPHYSCHEM,
2042 Local-Url = {file://localhost/Users/charles/Documents/Papers/Kohanoff/2005.pdf},
2043 Number = 9,
2044 Pages = {1848 - 1852},
2045 Title = {An isothermal-isobaric Langevin thermostat for simulating nanoparticles under pressure: Application to {A}u clusters},
2046 Volume = 6,
2047 Year = 2005}
2048
2049 @article{0953-8984-18-39-037,
2050 Abstract = {We report a classical molecular dynamics isothermal\–isobaric ensemble ( NPT ) implementation for the simulation of pressure effects on finite systems. The method is based on calculating the enclosed surface area by means of the Delauney triangulation method, which results in a fairly accurate description of the surface and the system volume. The external pressure is applied to the system by external forces acting on the triangulated surface covering the nanostructure. Pressure is exerted perpendicularly to every one of the Delauney triangles, by equally distributing the force to every corner of a triangle. We applied the method to finite single wall capped carbon nanotubes (SWCNTs) with different chiralities and different tube lengths ranging from 4~nm up to 30~nm. Pressure effects are studied as a function of the radii and the nanotube length, as well as as a function of temperature. Our results are in very good agreement when compared with both experimental and other theoretical results. },
2051 Author = {S E Baltazar and A H Romero and J L Rodr\'{i}guez-L\'{o}pez and R Marto\ň\'{a}k},
2052 Date-Added = {2006-12-14 15:23:48 -0500},
2053 Date-Modified = {2007-02-16 15:23:00 -0500},
2054 Journal = {Journal of Physics: Condensed Matter},
2055 Local-Url = {file://localhost/Users/charles/Documents/Papers/Baltazar/2006.pdf},
2056 Number = {39},
2057 Pages = {9119-9128},
2058 Title = {Finite single wall capped carbon nanotubes under hydrostatic pressure},
2059 Url = {http://stacks.iop.org/0953-8984/18/9119},
2060 Volume = {18},
2061 Year = {2006}}
2062
2063 @article{PhysRevB.63.193412,
2064 Author = {Sun, D. Y. and Gong, X. G. and Wang, Xiao-Qian},
2065 Date-Added = {2006-12-14 15:08:18 -0500},
2066 Date-Modified = {2007-02-16 15:23:00 -0500},
2067 Doi = {10.1103/PhysRevB.63.193412},
2068 Journal = {Phys. Rev. B},
2069 Local-Url = {file://localhost/Users/charles/Documents/Papers/Sun/2001.pdf},
2070 Month = {May},
2071 Number = {19},
2072 Numpages = {4},
2073 Pages = {193412},
2074 Publisher = {American Physical Society},
2075 Title = {Soft and hard shells in metallic nanocrystals},
2076 Volume = {63},
2077 Year = {2001}}
2078
2079 @book{Leach:1996kx,
2080 Author = {Andrew R. Leach},
2081 Date-Added = {2006-11-29 19:03:23 -0500},
2082 Date-Modified = {2007-02-16 15:23:00 -0500},
2083 Publisher = {Addison-Wesley Pub. Co.},
2084 Title = {Molecular Modelling: Principles and Applications},
2085 Year = {1996}}
2086
2087 @article{Chen90,
2088 Author = {A.~P. Sutton and J. Chen},
2089 Date-Modified = {2007-02-16 15:23:00 -0500},
2090 Journal = {Phil. Mag. Lett.},
2091 Pages = {139-146},
2092 Title = {Long-Range Finnis Sinclair Potentials},
2093 Volume = 61,
2094 Year = {1990}}
2095
2096 @article{Meineke:2004uq,
2097 Author = {Meineke, Matthew A. and Vardeman II, Charles F. and Teng Lin and Christopher J. Fennell and J. Daniel Gezelter},
2098 Date-Added = {2006-11-27 18:09:52 -0500},
2099 Date-Modified = {2007-02-16 15:23:00 -0500},
2100 Journal = {J. Comp Chem},
2101 Number = {3},
2102 Pages = {252-271},
2103 Title = {{OOPSE:} An object-oriented parallel simulation engine for molecular dynamics},
2104 Volume = {26},
2105 Year = {2005}}
2106
2107 @book{asmvol3,
2108 Date-Added = {2006-11-27 14:49:12 -0500},
2109 Date-Modified = {2007-02-16 15:23:00 -0500},
2110 Publisher = {ASM},
2111 Title = {ASM Handbook Volume 03: Alloy Phase Diagrams},
2112 Year = {1992}}
2113
2114 @article{swygenhoven:1652,
2115 Author = {H. Van Swygenhoven and A. Caro},
2116 Date-Added = {2006-11-16 18:15:30 -0500},
2117 Date-Modified = {2007-02-16 15:23:00 -0500},
2118 Journal = {Applied Physics Letters},
2119 Keywords = {nickel; plastic deformation; grain size; slip; molecular dynamics method; nanostructured materials},
2120 Local-Url = {file://localhost/Users/charles/Documents/Papers/Swygenhoven/1997.pdf},
2121 Number = {12},
2122 Pages = {1652-1654},
2123 Publisher = {AIP},
2124 Title = {Plastic behavior of nanophase Ni: A molecular dynamics computer simulation},
2125 Url = {http://link.aip.org/link/?APL/71/1652/1},
2126 Volume = {71},
2127 Year = {1997}}
2128
2129 @article{xiao:184504,
2130 Author = {Shifang Xiao and Wangyu Hu and Jianyu Yang},
2131 Date-Added = {2006-11-16 18:06:31 -0500},
2132 Date-Modified = {2007-02-16 15:23:00 -0500},
2133 Eid = {184504},
2134 Journal = {The Journal of Chemical Physics},
2135 Keywords = {silver; melting point; grain size; nanostructured materials; amorphous state; grain boundaries; computational geometry; molecular dynamics method},
2136 Local-Url = {file://localhost/Users/charles/Documents/Papers/Xiao/2006.pdf},
2137 Number = {18},
2138 Numpages = {4},
2139 Pages = {184504},
2140 Publisher = {AIP},
2141 Title = {Melting temperature: From nanocrystalline to amorphous phase},
2142 Url = {http://link.aip.org/link/?JCP/125/184504/1},
2143 Volume = {125},
2144 Year = {2006}}
2145
2146 @article{Chen:2004ec,
2147 Abstract = {Thermodynamic and structural properties of supercooled nanoclusters are of considerable interest. A numerical study of a gold nanocluster with 2112 atoms based on molecular dynamics simulation demonstrates how the cooling conditions affect the microstructures of nanoclusters. Structural parameters like pair correlation function, pair analysis and bond orientation-order parameters are used to investigate the structure transition of an Au nanocluster. The result shows that an Au nanocluster will evolve into a different microstructure under different cooling processes. At a cooling rate of 1.5625 $\times$ 10$^{13}$\ K\ s$^{\−1}$, the nanocluster forms an amorphous type structure. At a lower cooling rate of 1.5625 $\times$ 10$^{12}$\ K\ s$^{\−1}$, the system transforms from a supercooled liquid into a crystal-like structure. By looking into the bonded pairs within the cluster, the rearrangement of the Au nanocluster should be responsible for the structural evolution. },
2148 Author = {Ying Chen and Xiufang Bian and Jingxiang Zhang and Yanning Zhang and Li Wang},
2149 Date-Added = {2006-09-25 12:21:05 -0400},
2150 Date-Modified = {2007-02-16 15:23:00 -0500},
2151 Journal = {Modelling and Simulation in Materials Science and Engineering},
2152 Local-Url = {file://localhost/Users/charles/Documents/Papers/Chen/2004.pdf},
2153 Number = {3},
2154 Pages = {373-379},
2155 Title = {Structure and dynamics of gold nanocluster under cooling conditions},
2156 Url = {http://stacks.iop.org/0965-0393/12/373},
2157 Volume = {12},
2158 Year = {2004}}
2159
2160 @article{HuM._jp020581+,
2161 Author = {Hu, M. and Hartland, G.V.},
2162 Date-Added = {2006-09-24 23:11:31 -0400},
2163 Date-Modified = {2007-02-16 15:23:00 -0500},
2164 Journal = {Journal of Physical Chemistry B},
2165 Local-Url = {file://localhost/Users/charles/Documents/Papers/jp020581+.pdf},
2166 Number = {28},
2167 Pages = {7029-7033},
2168 Title = {Heat Dissipation for {A}u Particles in Aqueous Solution: Relaxation Time versus Size},
2169 Url = {http://dx.doi.org/10.1021/jp020581+},
2170 Volume = {106},
2171 Year = {2002}}
2172
2173 @article{plech:195423,
2174 Author = {A. Plech and V. Kotaidis and S. Gresillon and C. Dahmen and G. von Plessen},
2175 Date-Added = {2006-09-24 23:08:07 -0400},
2176 Date-Modified = {2007-03-24 12:37:59 -0400},
2177 Eid = {195423},
2178 Journal = {Phys. Rev. B},
2179 Keywords = {gold; laser materials processing; melting; nanoparticles; time resolved spectra; X-ray scattering; lattice dynamics; high-speed optical techniques; cooling; thermal resistance; thermal conductivity; long-range order},
2180 Local-Url = {file://localhost/Users/charles/Documents/Papers/PhysRevB_70_195423.pdf},
2181 Number = {19},
2182 Numpages = {7},
2183 Pages = {195423},
2184 Publisher = {APS},
2185 Title = {Laser-induced heating and melting of gold nanoparticles studied by time-resolved x-ray scattering},
2186 Url = {http://link.aps.org/abstract/PRB/v70/e195423},
2187 Volume = {70},
2188 Year = {2004}}
2189
2190 @article{kotaidis:184702,
2191 Author = {V. Kotaidis and C. Dahmen and G. von Plessen and F. Springer and A. Plech},
2192 Date-Added = {2006-09-24 23:05:26 -0400},
2193 Date-Modified = {2007-02-16 15:23:00 -0500},
2194 Eid = {184702},
2195 Journal = {The Journal of Chemical Physics},
2196 Keywords = {gold; nanoparticles; water; laser beam effects; surface collisions; bubbles; evaporation; X-ray scattering},
2197 Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_124_184702.pdf},
2198 Number = {18},
2199 Numpages = {7},
2200 Pages = {184702},
2201 Publisher = {AIP},
2202 Title = {Excitation of nanoscale vapor bubbles at the surface of gold nanoparticles in water},
2203 Url = {http://link.aip.org/link/?JCP/124/184702/1},
2204 Volume = {124},
2205 Year = {2006}}
2206
2207 @article{ShibataT._ja026764r,
2208 Author = {Shibata, T. and Bunker, B.A. and Zhang, Z. and Meisel, D. and Vardeman, C.F. and Gezelter, J.D.},
2209 Date-Added = {2006-09-24 22:35:30 -0400},
2210 Date-Modified = {2007-07-02 14:11:36 -0400},
2211 Journal = {JACS},
2212 Local-Url = {file://localhost/Users/charles/Documents/Papers/ja026764r.pdf},
2213 Number = {40},
2214 Pages = {11989-11996},
2215 Title = {Size-Dependent Spontaneous Alloying of {A}u-{A}g Nanoparticles},
2216 Url = {http://dx.doi.org/10.1021/ja026764r},
2217 Volume = {124},
2218 Year = {2002}}
2219
2220 @article{qian:4514,
2221 Author = {J. Qian and R. Hentschke and A. Heuer},
2222 Date-Added = {2006-09-24 22:06:58 -0400},
2223 Date-Modified = {2007-02-16 15:23:00 -0500},
2224 Journal = {The Journal of Chemical Physics},
2225 Keywords = {organic compounds; molecular dynamics method; molecular reorientation; glass},
2226 Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_110_4514.pdf},
2227 Number = {9},
2228 Pages = {4514-4522},
2229 Publisher = {AIP},
2230 Title = {Dynamic heterogeneities of translational and rotational motion of a molecular glass former from computer simulations},
2231 Url = {http://link.aip.org/link/?JCP/110/4514/1},
2232 Volume = {110},
2233 Year = {1999}}
2234
2235 @article{garrison:041501,
2236 Author = {Barbara J. Garrison and Tatiana E. Itina and Leonid V. Zhigilei},
2237 Date-Added = {2006-09-23 18:10:42 -0400},
2238 Date-Modified = {2007-02-16 15:23:00 -0500},
2239 Eid = {041501},
2240 Journal = {Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)},
2241 Keywords = {laser ablation; nucleation; molecular dynamics method; digital simulation; enthalpy},
2242 Local-Url = {file://localhost/Users/charles/Documents/Papers/PhysRevE_68_041501.pdf},
2243 Number = {4},
2244 Numpages = {4},
2245 Pages = {041501},
2246 Publisher = {APS},
2247 Title = {Limit of overheating and the threshold behavior in laser ablation},
2248 Url = {http://link.aps.org/abstract/PRE/v68/e041501},
2249 Volume = {68},
2250 Year = {2003}}
2251
2252 @article{DouY._jp003913o,
2253 Author = {Dou, Y. and Zhigilei, L.V. and Winograd, N. and Garrison, B.J.},
2254 Date-Added = {2006-09-23 18:02:53 -0400},
2255 Date-Modified = {2007-02-16 15:23:00 -0500},
2256 Journal = {Journal of Physical Chemistry A},
2257 Local-Url = {file://localhost/Users/charles/Documents/Papers/jp003913o.pdf},
2258 Number = {12},
2259 Pages = {2748-2755},
2260 Title = {Explosive Boiling of Water Films Adjacent to Heated Surfaces: A Microscopic Description},
2261 Url = {http://dx.doi.org/10.1021/jp003913o},
2262 Volume = {105},
2263 Year = {2001}}
2264
2265 @misc{ganesh-2006-,
2266 Author = {P. Ganesh and M. Widom},
2267 Date-Added = {2006-09-22 14:21:33 -0400},
2268 Date-Modified = {2007-02-16 15:23:00 -0500},
2269 Local-Url = {file://localhost/Users/charles/Documents/Papers/ico_cu.pdf},
2270 Title = {Signature of nearly icosahedral structures in liquid and supercooled liquid Copper},
2271 Url = {http://www.citebase.org/abstract?id=oai:arXiv.org:cond-mat/0602239},
2272 Year = {2006}}
2273
2274 @article{wolde:9932,
2275 Author = {Pieter Rein ten Wolde and Maria J. Ruiz-Montero and Daan Frenkel},
2276 Date-Added = {2006-09-22 14:12:18 -0400},
2277 Date-Modified = {2007-03-24 12:28:27 -0400},
2278 Journal = {J. Chem. Phys.},
2279 Keywords = {NUCLEATION; CRYSTALLIZATION; LENNARD–JONES POTENTIAL; COMPUTERIZED SIMULATION; FCC LATTICES; BCC LATTICES; CRITICAL SIZE; ORDER PARAMETERS; SOLID–FLUID INTERFACES; MOLECULAR DYNAMICS CALCULATIONS; REACTION RATES},
2280 Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_104_9932.pdf},
2281 Number = {24},
2282 Pages = {9932-9947},
2283 Publisher = {AIP},
2284 Title = {Numerical calculation of the rate of crystal nucleation in a Lennard-Jones system at moderate undercooling},
2285 Url = {http://link.aip.org/link/?JCP/104/9932/1},
2286 Volume = {104},
2287 Year = {1996}}
2288
2289 @article{Cleveland:1997gu,
2290 Author = {Charles L. Cleveland and Uzi Landman and Marat N. Shafigullin and Peter W. Stephens and Robert L. Whetten},
2291 Date-Added = {2006-09-22 14:07:59 -0400},
2292 Date-Modified = {2007-02-16 15:23:00 -0500},
2293 Journal = {Z. Phys. D},
2294 Local-Url = {file://localhost/Users/charles/Documents/Papers/Cleveland/1997.pdf},
2295 Pages = {503-508},
2296 Title = {Structural evolution of larger gold clusters},
2297 Volume = {40},
2298 Year = {1997}}
2299
2300 @article{Breaux:rz,
2301 Author = {Gary A. Breaux and Baopeng Cao and Martin F. Jarrold},
2302 Date-Added = {2006-09-22 14:07:40 -0400},
2303 Date-Modified = {2007-02-16 15:23:00 -0500},
2304 Journal = {J. Phys. Chem. B},
2305 Local-Url = {file://localhost/Users/charles/Documents/Papers/Breaux/2005.pdf},
2306 Title = {Second-Order Phase Transitions in Amorphous Gallium Clusters},
2307 Volume = {10.1021/jp052887x},
2308 Year = {2005}}
2309
2310 @misc{Magruder:1994rg,
2311 Author = {Magruder, III, R. H. and Osborne, Jr. , D. H. and Zuhr, R. A.},
2312 Date-Added = {2006-09-22 14:07:26 -0400},
2313 Date-Modified = {2007-02-16 15:23:00 -0500},
2314 Journal = {Journal of Non-Crystalline Solids},
2315 Number = {2-3},
2316 Pages = {299 --303},
2317 Title = {Non-linear optical properties of nanometer dimension Ag---Cu particles in silica formed by sequential ion implantation},
2318 Ty = {JOUR},
2319 Url = {http://www.sciencedirect.com/science/article/B6TXM-48N5KMY-112/2/0e487c2fae5720cdcda8b63ff74b819f},
2320 Volume = {176},
2321 Year = {1994}}
2322
2323 @article{BenjaminGilbert07302004,
2324 Abstract = {Nanoparticles may contain unusual forms of structural disorder that can substantially modify materials properties and thus cannot solely be considered as small pieces of bulk material. We have developed a method to quantify intermediate-range order in 3.4-nanometer-diameter zinc sulfide nanoparticles and show that structural coherence is lost over distances beyond 2nanometers. The zinc-sulfur Einstein vibration frequency in the nanoparticles is substantially higher than that in the bulk zinc sulfide, implying structural stiffening. This cannot be explained by the observed 1% radial compression and must be primarily due to inhomogeneous internal strain caused by competing relaxations from an irregular surface. The methods developed here are generally applicable to the characterization of nanoscale solids, many of which may exhibit complex disorder and strain.
2325 },
2326 Author = {Gilbert, Benjamin and Huang, Feng and Zhang, Hengzhong and Waychunas, Glenn A. and Banfield, Jillian F.},
2327 Date-Added = {2006-09-22 14:07:15 -0400},
2328 Date-Modified = {2007-02-16 15:23:00 -0500},
2329 Eprint = {http://www.sciencemag.org/cgi/reprint/305/5684/651.pdf},
2330 Journal = {Science},
2331 Local-Url = {file://localhost/Users/charles/Documents/Papers/Gilbert/2004b.pdf},
2332 Number = {5684},
2333 Pages = {651-654},
2334 Title = {Nanoparticles: Strained and Stiff},
2335 Url = {http://www.sciencemag.org/cgi/content/abstract/305/5684/651},
2336 Volume = {305},
2337 Year = {2004}}
2338
2339 @article{sheng:184203,
2340 Author = {H. W. Sheng and J. H. He and E. Ma},
2341 Date-Added = {2006-09-22 14:07:07 -0400},
2342 Date-Modified = {2007-05-16 14:58:31 -0400},
2343 Eid = {184203},
2344 Journal = {Phys. Rev. B},
2345 Keywords = {silver alloys; copper alloys; rapid solidification; quenching (thermal); molecular dynamics method; crystal structure; amorphous state; short-range order},
2346 Local-Url = {file://localhost/Users/charles/Documents/Papers/Sheng/2002.pdf},
2347 Number = {18},
2348 Numpages = {10},
2349 Pages = {184203},
2350 Publisher = {APS},
2351 Title = {Molecular dynamics simulation studies of atomic-level structures in rapidly quenched Ag-Cu nonequilibrium alloys},
2352 Url = {http://link.aps.org/abstract/PRB/v65/e184203},
2353 Volume = {65},
2354 Year = {2002}}
2355
2356 @article{Chushak:2001ry,
2357 Author = {Y G Chushak and L S Bartell},
2358 Date-Added = {2006-09-22 14:07:00 -0400},
2359 Date-Modified = {2007-02-16 15:23:00 -0500},
2360 Journal = {J. Phys. Chem. B},
2361 Local-Url = {file://localhost/Users/charles/Documents/Papers/Chushak/2001.pdf},
2362 Number = {47},
2363 Pages = {11605-11614},
2364 Title = {Melting and Freezing of Gold Nanoclusters},
2365 Volume = {105},
2366 Year = {2001}}
2367
2368 @article{Hodak:2000rb,
2369 Author = {Jos\'{e} H. Hodak and Arnim Henglein and Michael Giersig and Gregory V. Hartland},
2370 Date-Added = {2006-09-22 14:06:51 -0400},
2371 Date-Modified = {2007-02-16 15:23:00 -0500},
2372 Journal = {J. Phys. Chem. B},
2373 Local-Url = {file://localhost/Users/charles/Documents/Papers/Hodak/2000.pdf},
2374 Pages = {11708 - 11718},
2375 Title = {Laser-Induced Inter-Diffusion in {A}u{A}g Core-Shell Nanoparticles},
2376 Volume = {104},
2377 Year = {2000}}
2378
2379 @article{Gafner:2004bg,
2380 Author = {Yu. Ya. Gafner and S. L. Gafner and P. Entel},
2381 Date-Added = {2006-09-22 14:06:33 -0400},
2382 Date-Modified = {2007-02-16 15:23:00 -0500},
2383 Journal = {Phys. Sol. State},
2384 Local-Url = {file://localhost/Users/charles/Documents/Papers/Gafner/2004a.pdf},
2385 Number = {7},
2386 Pages = {1327--1330},
2387 Title = {Formation of an Icosahedral Structure during Crystallization of Nickel Nanoclusters},
2388 Volume = {46},
2389 Year = {2004}}
2390
2391 @article{he:125507,
2392 Author = {J. H. He and H. W. Sheng and J. S. Lin and P. J. Schilling and R. C. Tittsworth and E. Ma},
2393 Date-Added = {2006-09-22 14:06:29 -0400},
2394 Date-Modified = {2007-02-16 15:23:00 -0500},
2395 Eid = {125507},
2396 Journal = {Physical Review Letters},
2397 Keywords = {solid solutions; silver alloys; copper alloys; quenching (thermal); EXAFS; X-ray scattering; solubility; simulation},
2398 Local-Url = {file://localhost/Users/charles/Documents/Papers/He/2002.pdf},
2399 Number = {12},
2400 Numpages = {4},
2401 Pages = {125507},
2402 Publisher = {APS},
2403 Title = {Homogeneity of a Supersaturated Solid Solution},
2404 Url = {http://link.aps.org/abstract/PRL/v89/e125507},
2405 Volume = {89},
2406 Year = {2002}}
2407
2408 @article{Vardeman-II:2001jn,
2409 Author = {C.~F. {Vardeman II} and J.~D. Gezelter},
2410 Date-Added = {2006-09-22 14:05:53 -0400},
2411 Date-Modified = {2007-03-12 17:38:32 -0400},
2412 Journal = {J. Phys. Chem. A},
2413 Local-Url = {file://localhost/Users/charles/Documents/Papers/Vardeman%20II/2001.pdf},
2414 Number = {12},
2415 Pages = {2568},
2416 Title = {Comparing models for diffusion in supercooled liquids: The eutectic composition of the {A}g-{C}u alloy},
2417 Volume = {105},
2418 Year = {2001}}
2419
2420 @article{Steinhardt:1983mo,
2421 Author = {P. J. Steinhardt and D. R. Nelson and M. Ronchetti},
2422 Date-Added = {2006-09-22 14:05:49 -0400},
2423 Date-Modified = {2007-02-16 15:23:00 -0500},
2424 Journal = {Phys. Rev. B},
2425 Local-Url = {file://localhost/Users/charles/Documents/Papers/1983.pdf},
2426 Number = {2},
2427 Pages = {784-804},
2428 Title = {Bond-Orientational order in liquids and glasses},
2429 Volume = {28},
2430 Year = {1983}}
2431
2432 @article{Ascencio:2000qy,
2433 Author = {Ascencio, Jorge A. and Perez, Mario and Jose-Yacaman, Miguel},
2434 Date-Added = {2006-09-22 14:05:27 -0400},
2435 Date-Modified = {2007-02-16 15:23:00 -0500},
2436 Journal = {Surface Science},
2437 Local-Url = {file://localhost/Users/charles/Documents/Papers/Ascencio/2000.pdf},
2438 Number = {1-3},
2439 Pages = {73 --80},
2440 Title = {A truncated icosahedral structure observed in gold nanoparticles},
2441 Ty = {JOUR},
2442 Url = {http://www.sciencedirect.com/science/article/B6TVX-3YKKDPN-F/2/18d016014a0c4b12954cb264d8688ecc},
2443 Volume = {447},
2444 Year = {2000}}
2445
2446 @article{Spohr:1995lr,
2447 Abstract = {A simple model for the interaction potential of water with a solid surface is proposed. Adsorption energy, surface structure, corrugation, and the orientational anisotropy of the interaction can be varied. The model is used to determine the dependence of the water/metal interfacial structure as a function of the adsorption energy. Adsorption of an iodide ion from the solution onto the surface is studied for two different water adsorption energies. The results confirm the interpretations of previous simulations, namely that the repulsive solvent contribution to the free energy of iodide adsorption is mostly due to the steric displacement of adsorbed water molecules.},
2448 Author = {Spohr, E.},
2449 Date-Added = {2006-08-21 18:29:05 -0400},
2450 Date-Modified = {2007-02-16 15:23:00 -0500},
2451 Journal = {Journal of Molecular Liquids},
2452 Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle.pdf},
2453 Number = {1-2},
2454 Pages = {91--100},
2455 T2 = {Ultrafast Phenomena in Liquids and Glasses},
2456 Title = {Ion adsorption on metal surfaces. The role of water-metal interactions},
2457 Ty = {JOUR},
2458 Url = {http://www.sciencedirect.com/science/article/B6TGR-4002H6G-G/2/7b778ec712c1e86796cf919249d0f6a7},
2459 Volume = {64},
2460 Year = {1995}}
2461
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2547 <string>Surface Tension</string>
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2553 <string>Thiol-Metal</string>
2554 <key>keys</key>
2555 <string>LuedtkeW.D._jp981745i,LuedtkeW.D._jp961721g,MahaffyR._jp962281w</string>
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