trunk/nanoglass/nano.bib


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@article{235821,
        Address = {New York, NY, USA},
        Author = {C. Bradford Barber and David P. Dobkin and Hannu Huhdanpaa},
        Date-Added = {2007-09-18 19:11:42 -0400},
        Date-Modified = {2007-09-18 19:11:50 -0400},
        Doi = {http://doi.acm.org/10.1145/235815.235821},
        Issn = {0098-3500},
        Journal = {ACM Trans. Math. Softw.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/p469-barber.pdf},
        Number = {4},
        Pages = {469--483},
        Publisher = {ACM Press},
        Title = {The quickhull algorithm for convex hulls},
        Volume = {22},
        Year = {1996}}

@article{0031-9155-41-9-016,
        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.},
        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},
        Date-Added = {2007-09-18 18:49:49 -0400},
        Date-Modified = {2007-09-18 18:49:55 -0400},
        Journal = {Physics in Medicine and Biology},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/m60915.pdf},
        Number = {9},
        Pages = {1809-1821},
        Title = {Application of a new discreet form of Gauss' theorem for measuring volume},
        Url = {http://stacks.iop.org/0031-9155/41/1809},
        Volume = {41},
        Year = {1996}}

@article{Balucani:1990fk,
        Author = {Balucani, U. and Vallauri, R.},
        Date-Added = {2007-09-18 11:47:47 -0400},
        Date-Modified = {2007-09-18 11:48:01 -0400},
        Journal = {Chemical Physics Letters},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle0.pdf},
        Number = {1},
        Pages = {77--81},
        Title = {Evolution of bond-angle distribution from liquid to glassy states},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TFN-44XDV0S-9H/2/fa1467fe68d6474b775de0f4cfd7f7ab},
        Volume = {166},
        Year = {1990}}

@article{Sheng:2006lr,
        Annote = {10.1038/nature04421},
        Author = {Sheng, H. W. and Luo, W. K. and Alamgir, F. M. and Bai, J. M. and Ma, E.},
        Date-Added = {2007-09-17 12:50:02 -0400},
        Date-Modified = {2007-09-17 12:50:07 -0400},
        Isbn = {0028-0836},
        Journal = {Nature},
        L3 = {http://www.nature.com/nature/journal/v439/n7075/suppinfo/nature04421_S1.html},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/nature04421.pdf},
        M3 = {10.1038/nature04421},
        Number = {7075},
        Pages = {419--425},
        Title = {Atomic packing and short-to-medium-range order in metallic glasses},
        Ty = {JOUR},
        Url = {http://dx.doi.org/10.1038/nature04421},
        Volume = {439},
        Year = {2006}}

@article{19521106,
        Author = {Frank, F. C.},
        Copyright = {Copyright 1952 The Royal Society},
        Date-Added = {2007-09-17 12:26:50 -0400},
        Date-Modified = {2007-09-17 12:26:56 -0400},
        Group = {A Discussion on Theory of Liquids},
        Issn = {0080-4630},
        Journal = {Proceedings of the Royal Society of London. Series A, Mathematical and Physical Sciences},
        Jstor_Articletype = {Full Length Article},
        Jstor_Date = {19521106},
        Jstor_Formatteddate = {Nov. 6, 1952},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/frank_icos_liq.pdf},
        Month = {nov},
        Number = {1120},
        Pages = {43--46},
        Publisher = {The Royal Society},
        Title = {Supercooling of Liquids},
        Url = {http://links.jstor.org/sici?sici=0080-4630%2819521106%29215%3A1120%3C43%3ASOL%3E2.0.CO%3B2-9},
        Volume = {215},
        Year = {1952}}

@article{PhysRevLett.91.135505,
        Author = {Di Cicco, Andrea and Trapananti, Angela and Faggioni, Silena and Filipponi, Adriano},
        Date-Added = {2007-09-17 12:15:58 -0400},
        Date-Modified = {2007-09-17 12:16:09 -0400},
        Doi = {10.1103/PhysRevLett.91.135505},
        Journal = {Phys. Rev. Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/e135505.pdf},
        Month = {Sep},
        Number = {13},
        Numpages = {4},
        Pages = {135505},
        Publisher = {American Physical Society},
        Title = {Is There Icosahedral Ordering in Liquid and Undercooled Metals?},
        Volume = {91},
        Year = {2003}}

@article{duijneveldt:4655,
        Author = {J. S. van Duijneveldt and D. Frenkel},
        Date-Added = {2007-09-13 16:50:13 -0400},
        Date-Modified = {2007-09-13 16:50:22 -0400},
        Doi = {10.1063/1.462802},
        Journal = {The Journal of Chemical Physics},
        Keywords = {COMPUTERIZED SIMULATION; FREE ENERGY; CRYSTALS; NUCLEATION; THERMAL BARRIERS; MONTE CARLO METHOD; SUPERCOOLED LIQUIDS; FCC LATTICES; BCC LATTICES; SIMULATION; HOMOGENEITY},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_96_4655.pdf},
        Number = {6},
        Pages = {4655-4668},
        Publisher = {AIP},
        Title = {Computer simulation study of free energy barriers in crystal nucleation},
        Url = {http://link.aip.org/link/?JCP/96/4655/1},
        Volume = {96},
        Year = {1992}}

@article{Jiang:2005lr,
        Author = {Hongjin Jiang and Kyoung-sik Moon and Wong, C. P.},
        Date-Added = {2007-09-11 14:55:57 -0400},
        Date-Modified = {2007-09-11 14:56:06 -0400},
        Isbn = {1550-5723},
        Journal = {Advanced Packaging Materials: Processes, Properties and Interfaces, 2005. Proceedings. International Symposium on},
        Journal1 = {Advanced Packaging Materials: Processes, Properties and Interfaces, 2005. Proceedings. International Symposium on},
        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},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/01432072.pdf},
        Pages = {173--177},
        Title = {Synthesis of Ag-Cu alloy nanoparticles for lead-free interconnect materials},
        Title1 = {Advanced Packaging Materials: Processes, Properties and Interfaces, 2005. Proceedings. International Symposium on},
        Ty = {CONF},
        Year = {2005}}

@unpublished{hartlandPrv2007,
        Author = {G. V. Hartland},
        Date-Added = {2007-09-10 16:28:58 -0400},
        Date-Modified = {2007-09-10 16:34:05 -0400},
        Howpublished = {(private communication)},
        Note = {Private Communication},
        Title = {Interfacial Conductance for Nanoparticles}}

@article{xuan:043507,
        Author = {Yimin Xuan and Qiang Li and Xing Zhang and Motoo Fujii},
        Date-Added = {2007-09-10 16:25:23 -0400},
        Date-Modified = {2007-09-10 16:26:01 -0400},
        Doi = {10.1063/1.2245203},
        Eid = {043507},
        Journal = {Journal of Applied Physics},
        Keywords = {nanoparticles; suspensions; stochastic processes; Brownian motion; heat transfer; thermal conductivity; two-phase flow},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JApplPhys_100_043507.pdf},
        Number = {4},
        Numpages = {6},
        Pages = {043507},
        Publisher = {AIP},
        Title = {Stochastic thermal transport of nanoparticle suspensions},
        Url = {http://link.aip.org/link/?JAP/100/043507/1},
        Volume = {100},
        Year = {2006}}

@article{Henglein:1999fk,
        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.},
        Author = {Henglein, A and Giersig, M},
        Date-Added = {2007-09-07 18:11:39 -0400},
        Date-Modified = {2007-09-07 18:17:03 -0400},
        Journal = {Journal of Physical Chemistry B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp9925334.pdf},
        Pages = {9533-9539},
        Title = {Formation of colloidal silver nanoparticles: Capping action of citrate},
        Volume = {103},
        Year = {1999}}

@article{Link:2000lr,
        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)},
        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)},
        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},
        Author = {Link, Stephan and El-Sayed, Mostafa A.},
        Date-Added = {2007-09-07 16:21:48 -0400},
        Date-Modified = {2007-09-07 16:21:55 -0400},
        Isbn = {0144235X},
        J1 = {International Reviews in Physical Chemistry},
        Journal = {International Reviews in Physical Chemistry},
        Journal1 = {International Reviews in Physical Chemistry},
        Keywords = {MOLECULAR structure; NANOPARTICLES},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/3844873.pdf},
        M3 = {Article},
        Number = {3},
        Pages = {409--453},
        Publisher = {Taylor \& Francis Ltd},
        Title = {Shape and size dependence of radiative, non-radiative and photothermal properties of gold nanocrystals.},
        Ty = {JOUR},
        Url = {http://search.ebscohost.com/login.aspx?direct=true&AuthType=ip,url,uid,cookie&db=afh&AN=3844873&site=ehost-live},
        Volume = {19},
        Year = {2000}}

@article{BROOKS:1985kx,
        Author = {BROOKS, CL and BRUNGER, A and KARPLUS, M},
        Date-Added = {2007-09-06 15:55:51 -0400},
        Date-Modified = {2007-09-06 15:56:44 -0400},
        Journal = {Biopolymers},
        Pages = {843-865},
        Title = {ACTIVE-SITE DYNAMICS IN PROTEIN MOLECULES - A STOCHASTIC BOUNDARY MOLECULAR-DYNAMICS APPROACH},
        Volume = {24},
        Year = {1985}}

@article{BRUNGER:1984fj,
        Author = {BRUNGER, A and BROOKS, CL and KARPLUS, M},
        Date-Added = {2007-09-06 15:55:51 -0400},
        Date-Modified = {2007-09-06 15:56:36 -0400},
        Journal = {Chemical Physics Letters},
        Pages = {495-500},
        Title = {STOCHASTIC BOUNDARY-CONDITIONS FOR MOLECULAR-DYNAMICS SIMULATIONS OF ST2 WATER},
        Volume = {105},
        Year = {1984}}

@article{BROOKS:1983uq,
        Author = {BROOKS, CL and KARPLUS, M},
        Date-Added = {2007-09-06 15:55:51 -0400},
        Date-Modified = {2007-09-06 15:56:24 -0400},
        Journal = {Journal of Chemical Physics},
        Pages = {6312-6325},
        Title = {DEFORMABLE STOCHASTIC BOUNDARIES IN MOLECULAR-DYNAMICS},
        Volume = {79},
        Year = {1983}}

@book{Strandburg:1992qy,
        Address = {New York},
        Annote = {LDR    01152pam  2200301 a 4500
001    2960109
005    19920314112708.5
008    910605s1992    nyua     b    001 0 eng  
035    $9(DLC)   91020237
906    $a7$bcbc$corignew$d1$eocip$f19$gy-gencatlg
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
010    $a   91020237 
020    $a0387976388 (U.S. : alk. paper)
020    $a3540976388
040    $aDLC$cDLC$dDLC
050 00 $aQC173.4.C65$bB66 1992
082 00 $a530.4/1$220
245 00 $aBond-orientational order in condensed matter systems /$cKatherine J. Strandburg, editor ; foreword by David R. Nelson.
260    $aNew York :$bSpringer-Verlag,$c1992.
300    $axi, 388 p. :$bill. ;$c25 cm.
440  0 $aPartially ordered systems
504    $aIncludes bibliographical references and index.
650  0 $aCondensed matter.
650  0 $aCrystals.
650  0 $aGlass.
650  0 $aPhase transformations (Statistical physics)
700 1  $aStrandburg, Katherine Jo,$d1957-
991    $bc-GenColl$hQC173.4.C65$iB66 1992$p00036991264$tCopy 1$wBOOKS
},
        Author = {Strandburg, Katherine Jo},
        Call-Number = {QC173.4.C65},
        Date-Added = {2007-09-06 15:29:04 -0400},
        Date-Modified = {2007-09-06 15:29:37 -0400},
        Dewey-Call-Number = {530.4/1},
        Genre = {Condensed matter},
        Isbn = {0387976388 (U.S. : alk. paper)},
        Library-Id = {91020237},
        Publisher = {Springer-Verlag},
        Title = {Bond-orientational order in condensed matter systems},
        Year = {1992}}

@book{Kittel:1996fk,
        Address = {New York},
        Annote = {LDR    01170cam  2200289 a 4500
001    1143187
005    20060719213349.0
008    950426s1996    nyua     b    001 0 eng  
906    $a7$bcbc$corignew$d1$eocip$f19$gy-gencatlg
955    $apc01 to JA00 04-26-95; je39 04-27-95; je05 to DDC 04-27-95; CIP ver. pv08 07-27-95
035    $9(DLC)   95018445
010    $a   95018445 
020    $a0471111813 (alk. paper)
040    $aDLC$cDLC$dDLC
050 00 $aQC176$b.K5 1996
082 00 $a530.4/1$220
100 1  $aKittel, Charles.
245 10 $aIntroduction to solid state physics /$cCharles Kittel.
250    $a7th ed.
260    $aNew York :$bWiley,$cc1996.
300    $axi, 673 p. :$bill. ;$c25 cm.
504    $aIncludes bibliographical references and index.
650  0 $aSolid state physics.
856 42 $3Publisher description$uhttp://www.loc.gov/catdir/description/wiley033/95018445.html
856 4  $3Table of Contents only$uhttp://www.loc.gov/catdir/toc/onix03/95018445.html
856 42 $3Contributor biographical information$uhttp://www.loc.gov/catdir/enhancements/fy0607/95018445-b.html
991    $bc-GenColl$hQC176$i.K5 1996$p00035929873$tCopy 1$wBOOKS
},
        Author = {Kittel, Charles},
        Call-Number = {QC176},
        Date-Added = {2007-09-06 15:23:29 -0400},
        Date-Modified = {2007-09-06 15:25:11 -0400},
        Dewey-Call-Number = {530.4/1},
        Edition = {7th ed},
        Genre = {Solid state physics},
        Isbn = {0471111813 (alk. paper)},
        Library-Id = {95018445},
        Publisher = {Wiley},
        Title = {Introduction to solid state physics},
        Url = {http://www.loc.gov/catdir/description/wiley033/95018445.html},
        Year = {1996}}

@misc{Hartland:2003lr,
        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.},
        Author = {Hartland, GV and Guillaudeu, S and Hodak, JH},
        Date-Added = {2007-09-06 15:19:25 -0400},
        Date-Modified = {2007-09-06 15:19:59 -0400},
        Note = {Molecules As Components of Electronic Devices},
        Pages = {106-122},
        Series = {ACS SYMPOSIUM SERIES},
        Title = {Laser-induced alloying in metal nanoparticles: Controlling spectral properties with light},
        Volume = {844},
        Year = {2003}}

@article{HengleinA._jp992950g,
        Affiliation = {Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556},
        Author = {Henglein, A.},
        Date-Added = {2007-09-06 15:01:20 -0400},
        Date-Modified = {2007-09-06 15:01:27 -0400},
        Issn = {1520-6106},
        Journal = {Journal of Physical Chemistry B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp992950g.pdf},
        Number = {6},
        Pages = {1206-1211},
        Title = {Formation and Absorption Spectrum of Copper Nanoparticles from the Radiolytic Reduction of Cu(CN)2-},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp992950g},
        Volume = {104},
        Year = {2000}}

@article{Petrova:2007qy,
        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.},
        Author = {Petrova, Hristina and Hu, Min and Hartland, Gregory V.},
        Date-Added = {2007-09-06 14:47:57 -0400},
        Date-Modified = {2007-09-06 14:49:36 -0400},
        Doi = {DOI 10.1524/zpch.2007.221.3.361},
        Journal = {Zeitschrift Fur Physikalische Chemie-International Journal of Research In Physical Chemistry \& Chemical Physics},
        Keywords = {metal nanoparticles; phonon modes; photothermal properties; laser-induced heating},
        Pages = {361-376},
        Title = {Photothermal properties of gold nanoparticles},
        Volume = {221},
        Year = {2007}}

@article{Hartland:2004fk,
        Author = {Gregory V. Hartland},
        Date-Added = {2007-09-06 14:34:21 -0400},
        Date-Modified = {2007-09-06 14:37:40 -0400},
        Journal = {Physical Chemistry Chemical Physics},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/b413368d.pdf},
        Number = {23},
        Pages = {5263-5274},
        Title = {Measurements of the material properties of metal nanoparticles by time-resolved spectroscopy},
        Volume = {6},
        Year = {2004}}

@article{Qi:2001nn,
        Author = {Yue Qi and Tahir Cagin and William L. Johnson and William A. Goddard III},
        Date-Added = {2007-09-06 13:34:45 -0400},
        Date-Modified = {2007-09-06 13:34:45 -0400},
        Journal = {The Journal of Chemical Physics},
        Keywords = {melting; freezing; crystallisation; nickel; nanostructured materials; metal clusters},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Qi/2001.pdf},
        Number = {1},
        Pages = {385-394},
        Publisher = {AIP},
        Title = {Melting and crystallization in Ni nanoclusters: The mesoscale regime},
        Url = {http://link.aip.org/link/?JCP/115/385/1},
        Volume = {115},
        Year = {2001}}

@article{Cleveland:1997jb,
        Author = {Charles L. Cleveland and Uzi Landman and Thomas G. Schaaff and Marat N. Shafigullin and Peter W. Stephens and Robert L. Whetten},
        Date-Added = {2007-09-06 13:34:10 -0400},
        Date-Modified = {2007-09-06 13:34:10 -0400},
        Journal = {Phys. Rev. Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Cleveland/1997a.pdf},
        Pages = {1873-1876},
        Title = {Structural Evolution of Smaller Gold Nanocrystals: The Truncated Decahedral Motif},
        Volume = {79},
        Year = {1997}}

@article{Roy:2003dy,
        Author = {R.K. Roy and S.K. Mandal and A.K. Pal},
        Date-Added = {2007-09-06 13:32:38 -0400},
        Date-Modified = {2007-09-06 13:32:38 -0400},
        Journal = {Eur. Phys. J. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Roy/2003.pdf},
        Pages = {109-114},
        Title = {Effect of interfacial alloying on the surface plasmon resonance of nanocrystalline Au-Ag multilayer thin films},
        Volume = {33},
        Year = {2003}}

@article{gonzalo:5163,
        Author = {J. Gonzalo and D. Babonneau and C. N. Afonso and J.-P. Barnes},
        Date-Added = {2007-09-06 13:32:05 -0400},
        Date-Modified = {2007-09-06 13:32:05 -0400},
        Journal = {Journal of Applied Physics},
        Keywords = {alumina; silver; copper; nanocomposites; metallic thin films; pulsed laser deposition; surface plasmon resonance; spectral line shift; nucleation; visible spectra; electron diffraction; electron microscopy},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Gonzalo/2004.pdf},
        Number = {9},
        Pages = {5163-5168},
        Publisher = {AIP},
        Title = {Optical response of mixed Ag-Cu nanocrystals produced by pulsed laser deposition},
        Url = {http://link.aip.org/link/?JAP/96/5163/1},
        Volume = {96},
        Year = {2004}}

@article{Kim:2003lv,
        Author = {M. Kim and H. Na and K. C. Lee and E. A. Yoo and M. Lee},
        Date-Added = {2007-09-06 13:31:15 -0400},
        Date-Modified = {2007-09-06 13:31:15 -0400},
        Journal = {J. Mat. Chem},
        Number = {7},
        Pages = {1789-1792},
        Title = {Preperation and characterization of Au-Ag and Au-Cu alloy nanoparticles in chloroform.},
        Volume = {13},
        Year = {2003}}

@article{Malyavantham:2004cu,
        Author = {Malyavantham, Gokul and O'Brien, Daniel T. and Becker, Michael F. and Keto, John W. and Kovar, Desiderio},
        Date-Added = {2007-09-06 13:30:22 -0400},
        Date-Modified = {2007-09-06 13:30:22 -0400},
        Journal = {Journal of Nanoparticle Research},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Malyavantham/2004.pdf},
        Number = {6},
        Pages = {661 --664},
        Title = {Au-Cu nanoparticles produced by laser ablation of mixtures of Au and Cu microparticles},
        Ty = {JOUR},
        Url = {http://www.springerlink.com/openurl.asp?genre=article\& id=doi:10.1007/s11051-004-3212-z},
        Volume = {6},
        Year = {2004}}

@article{Ludwig:2003lr,
        Address = {Physikalische Chemie, Fachbereich Chemie, Universitat Dortmund, Otto-Hahn-Strasse 6, 44221 Dortmund, Germany. ludwig@pc2a.chemie.uni-dortmund.de},
        Au = {Ludwig, R},
        Author = {Ludwig, Ralf},
        Da = {20030805},
        Date-Added = {2007-07-16 17:00:26 -0400},
        Date-Modified = {2007-07-16 17:00:26 -0400},
        Dcom = {20040511},
        Doi = {10.1002/anie.200301658},
        Edat = {2003/08/06 05:00},
        Issn = {1433-7851 (Print)},
        Jid = {0370543},
        Journal = {Angew Chem Int Ed Engl},
        Jt = {Angewandte Chemie (International ed. in English)},
        Language = {eng},
        Lr = {20070119},
        Mhda = {2003/08/06 05:01},
        Number = {30},
        Own = {NLM},
        Pages = {3458--3460},
        Pl = {Germany},
        Pmid = {12900957},
        Pst = {ppublish},
        Pt = {Journal Article},
        Pubm = {Print},
        So = {Angew Chem Int Ed Engl. 2003 Aug 4;42(30):3458-60.},
        Stat = {PubMed-not-MEDLINE},
        Title = {How does water bind to metal surfaces: hydrogen atoms up or hydrogen atoms down?},
        Volume = {42},
        Year = {2003}}

@article{SpohrE._j100353a043,
        Author = {Spohr, E.},
        Date-Added = {2007-07-16 16:44:34 -0400},
        Date-Modified = {2007-07-16 16:45:17 -0400},
        Issn = {0022-3654},
        Journal = {Journal of Physical Chemistry},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Spohr/1989.pdf},
        Number = {16},
        Pages = {6171-6180},
        Title = {Computer simulation of the water/platinum interface},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/j100353a043},
        Volume = {93},
        Year = {1989}}

@article{kay:5120,
        Author = {Bruce D. Kay and Keith R. Lykke and J. Randall Creighton and Stephen J. Ward},
        Date-Added = {2007-07-16 14:10:25 -0400},
        Date-Modified = {2007-07-16 14:10:38 -0400},
        Doi = {10.1063/1.457606},
        Journal = {The Journal of Chemical Physics},
        Keywords = {CHEMISORPTION; CHEMICAL BONDS; AMMONIA; HYDROFLUORIC ACID; WATER; GOLD; SORPTIVE PROPERTIES; LOW TEMPERATURE; DESORPTION; ADSORBATES; HYDROGEN BONDS; DESORPTION SPECTROSCOPY},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Kay/1989.pdf},
        Number = {8},
        Pages = {5120-5121},
        Publisher = {AIP},
        Title = {The influence of adsorbate--absorbate hydrogen bonding in molecular chemisorption: NH[sub 3], HF, and H[sub 2]O on Au(111)},
        Url = {http://link.aip.org/link/?JCP/91/5120/1},
        Volume = {91},
        Year = {1989}}

@article{MahaffyR._jp962281w,
        Affiliation = {Department of Chemistry, The Pennsylvania State University, University Park, Pennsylvania 16802},
        Author = {Mahaffy, R. and Bhatia, R. and Garrison, B.J.},
        Date-Added = {2007-07-05 12:36:54 -0400},
        Date-Modified = {2007-07-05 12:37:01 -0400},
        Issn = {1520-6106},
        Journal = {Journal of Physical Chemistry B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Mahaffy/1997.pdf},
        Number = {5},
        Pages = {771-773},
        Title = {Diffusion of a Butanethiolate Molecule on a Au{111} Surface},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp962281w},
        Volume = {101},
        Year = {1997}}

@article{LuedtkeW.D._jp981745i,
        Affiliation = {School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332-0430},
        Author = {Luedtke, W.D. and Landman, U.},
        Date-Added = {2007-07-05 12:13:33 -0400},
        Date-Modified = {2007-07-05 12:13:42 -0400},
        Issn = {1520-6106},
        Journal = {Journal of Physical Chemistry B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Luedtke/1998.pdf},
        Number = {34},
        Pages = {6566-6572},
        Title = {Structure and Thermodynamics of Self-Assembled Monolayers on Gold Nanocrystallites},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp981745i},
        Volume = {102},
        Year = {1998}}

@article{LuedtkeW.D._jp961721g,
        Affiliation = {School of Physics, Georgia Institute of Technology, Atlanta, Georgia 30332},
        Author = {Luedtke, W.D. and Landman, U.},
        Date-Added = {2007-07-05 12:06:28 -0400},
        Date-Modified = {2007-07-05 12:07:32 -0400},
        Issn = {0022-3654},
        Journal = {Journal of Physical Chemistry},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Luedtke/1996.pdf},
        Number = {32},
        Pages = {13323-13329},
        Title = {Structure, Dynamics, and Thermodynamics of Passivated Gold Nanocrystallites and Their Assemblies},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp961721g},
        Volume = {100},
        Year = {1996}}

@article{0957-4484-17-18-037,
        Abstract = {Molecular dynamics simulations are used to investigate the microstructures of Cu\&ndash;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\&ndash;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. },
        Author = {Shin-Pon Ju and Cheng-I Weng and Yi-Yun Chang and Yung-Yun Chen},
        Date-Added = {2007-07-02 01:26:44 -0400},
        Date-Modified = {2007-07-02 01:26:56 -0400},
        Journal = {Nanotechnology},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Ju/2006.pdf},
        Number = {18},
        Pages = {4748-4757},
        Title = {The effect of added oversized elements on the microstructure of binary alloy nanoparticles},
        Url = {http://stacks.iop.org/0957-4484/17/4748},
        Volume = {17},
        Year = {2006}}

@article{Miracle:2006qy,
        Author = {Miracle, D. B.},
        Date-Added = {2007-07-01 16:38:41 -0400},
        Date-Modified = {2007-07-01 16:38:59 -0400},
        Journal = {Acta Materialia},
        Keywords = {Metallic glasses; Atomic structure; Modeling},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Miracle/2006.pdf},
        Number = {16},
        Pages = {4317--4336},
        Title = {The efficient cluster packing model - An atomic structural model for metallic glasses},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TW8-4KKFPJ4-1/2/3bbef4be6c2fefecca2370b67cc5f7e2},
        Volume = {54},
        Year = {2006}}

@article{Manai:2007fk,
        Author = {Manai, G. and Delogu, F.},
        Date-Added = {2007-07-01 16:29:22 -0400},
        Date-Modified = {2007-07-01 16:29:49 -0400},
        Journal = {Physica B: Condensed Matter},
        Keywords = {Molecular dynamics; Melting; Bulk metal; Nanocrystalline metal; Kinetics},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Manai/2007.pdf},
        Number = {1-2},
        Pages = {288--297},
        Title = {Numerical simulations of the melting behavior of bulk and nanometer-sized Cu systems},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TVH-4MMFJ3P-1/2/23cfabe81d2b2b75cf1322fff7438ea0},
        Volume = {392},
        Year = {2007}}

@article{Iwamatsu:2007lr,
        Author = {Iwamatsu, Masao},
        Date-Added = {2007-07-01 16:17:54 -0400},
        Date-Modified = {2007-07-01 16:18:30 -0400},
        Journal = {Materials Science and Engineering: A},
        Keywords = {Binary cluster; Icosahedral cluster; Binary alloy; Glass; Undercooled liquid},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Iwamatsu/2007.pdf},
        Pages = {975--978},
        Title = {Icosahedral binary clusters of glass-forming Lennard-Jones binary alloy},
        Title1 = {Proceedings of the 12th International Conference on Rapidly Quenched \& Metastable Materials},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TXD-4KPP4D7-12/2/068458774eaf66383a5a3eefe2118657},
        Volume = {449-451},
        Year = {2007}}

@article{HoneycuttJ.Dana_j100303a014,
        Author = {Honeycutt, J. Dana and Andersen, Hans C.},
        Date-Added = {2007-07-01 13:21:04 -0400},
        Date-Modified = {2007-07-01 13:21:24 -0400},
        Issn = {0022-3654},
        Journal = {Journal of Physical Chemistry},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Honeycutt/1987.pdf},
        Number = {19},
        Pages = {4950-4963},
        Title = {Molecular dynamics study of melting and freezing of small Lennard-Jones clusters},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/j100303a014},
        Volume = {91},
        Year = {1987}}

@article{PhysRevLett.60.2295,
        Author = {J\'onsson, Hannes and Andersen, Hans C.},
        Date-Added = {2007-07-01 13:05:37 -0400},
        Date-Modified = {2007-07-01 13:06:07 -0400},
        Doi = {10.1103/PhysRevLett.60.2295},
        Journal = {Phys. Rev. Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/J%5C'onsson/1988.pdf},
        Month = {May},
        Number = {22},
        Numpages = {3},
        Pages = {2295--2298},
        Publisher = {American Physical Society},
        Title = {Icosahedral Ordering in the Lennard-Jones Liquid and Glass},
        Volume = {60},
        Year = {1988}}

@article{Buscaglia:1997fk,
        Author = {Gustavo C. Buscaglia and Enzo A. Dari},
        Date-Added = {2007-06-15 13:34:55 -0400},
        Date-Modified = {2007-06-15 13:37:30 -0400},
        Journal = {International Journal for Numerical Methods in Engineering},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Buscaglia/1997.pdf},
        Number = {22},
        Pages = {4119-4136},
        Title = {Anisotropic mesh optimization and its application in adaptivity},
        Volume = {40},
        Year = {1997}}

@article{Guymon:2005fk,
        Author = {C.G. Guymon and R.L. Rowley and J. N. Harb and D.R. Wheeler},
        Date-Added = {2007-06-07 14:31:36 -0400},
        Date-Modified = {2007-06-07 14:34:21 -0400},
        Journal = {Condensed Matter Physics},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Guymon/2005.pdf},
        Number = {2},
        Pages = {335-356},
        Title = {Simulating an electrochemical interface using charge dynamics},
        Volume = {8},
        Year = {2005}}

@article{MURRAY:1984lr,
        Author = {Murray, J. L.},
        Date-Added = {2007-05-16 15:08:28 -0400},
        Date-Modified = {2007-05-16 15:17:54 -0400},
        Isi = {ISI:A1984SC15900002},
        Issn = {0360-2133},
        Journal = {Metall Trans},
        Number = {2},
        Pages = {261-268},
        Publication-Type = {J},
        Title = {CALCULATIONS OF STABLE AND METASTABLE EQUILIBRIUM DIAGRAMS OF THE AG-CU AND CD-ZN SYSTEMS},
        Volume = {15},
        Year = {1984}}

@misc{kimura-quantum,
        Author = {Y. Kimura and T. Cagin},
        Date-Added = {2007-05-15 16:46:32 -0400},
        Date-Modified = {2007-05-15 17:56:21 -0400},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Goddard%20III/51.pdf},
        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.},
        Title = {The Quantum Sutton-Chen ManyBody Potential for Properties of FCC metals},
        Url = {citeseer.ist.psu.edu/150963.html}}

@article{neubauer:046106,
        Author = {H. Neubauer and S. G. Mayr},
        Date-Added = {2007-05-10 17:42:37 -0400},
        Date-Modified = {2007-05-10 17:49:52 -0400},
        Eid = {046106},
        Journal = {Journal of Applied Physics},
        Keywords = {copper alloys; gold alloys; nanostructured materials; metal clusters; liquid alloys; molecular dynamics method; surface energy; fluctuations; rotation},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Neubauer/2007.pdf},
        Number = {4},
        Numpages = {3},
        Pages = {046106},
        Publisher = {AIP},
        Title = {Dealloying of liquid CuAu nanoclusters during rotary motion: A molecular dynamics study},
        Url = {http://link.aip.org/link/?JAP/101/046106/1},
        Volume = {101},
        Year = {2007}}

@article{0965-0393-7-2-005,
        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. },
        Author = {Jun Wan and Y L Fan and D W Gong and S G Shen and X Q Fan},
        Date-Added = {2007-05-08 16:04:42 -0400},
        Date-Modified = {2007-05-08 16:04:50 -0400},
        Journal = {Modelling and Simulation in Materials Science and Engineering},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Wan/1999.pdf},
        Number = {2},
        Pages = {189-206},
        Title = {Surface relaxation and stress of fcc metals: Cu, Ag, Au, Ni, Pd, Pt, Al and Pb},
        Url = {http://stacks.iop.org/0965-0393/7/189},
        Volume = {7},
        Year = {1999}}

@article{Chen:2001qy,
        Author = {Chen, M. and Yang, C. and Guo, Z. Y.},
        Date-Added = {2007-05-08 15:48:11 -0400},
        Date-Modified = {2007-05-08 15:48:22 -0400},
        Journal = {International Journal of Thermophysics},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/fulltext.pdf},
        M3 = {10.1023/A:1010632813438},
        Number = {4},
        Pages = {1295--1302},
        Title = {Surface Tension of Ni-Cu Alloys: A Molecular Simulation Approach},
        Ty = {JOUR},
        Url = {http://dx.doi.org/10.1023/A:1010632813438},
        Volume = {22},
        Year = {2001}}

@article{Bondi:1964fk,
        Author = {A. Bondi},
        Date-Added = {2007-05-08 14:44:17 -0400},
        Date-Modified = {2007-05-08 14:45:19 -0400},
        Journal = {J. Phys. Chem.},
        Number = {3},
        Pages = {441-451},
        Title = {van der Waals Volumes and Radii},
        Volume = {63},
        Year = {1964}}

@article{0957-0233-16-2-015,
        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. },
        Author = {Joonho Lee and Wataru Shimoda and Toshihiro Tanaka},
        Date-Added = {2007-05-08 13:32:00 -0400},
        Date-Modified = {2007-05-08 13:32:14 -0400},
        Journal = {Measurement Science and Technology},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/mst5_2_015.pdf},
        Number = {2},
        Pages = {438-442},
        Title = {Temperature dependence of surface tension of liquid Sn\&ndash;Ag, In\&ndash;Ag and In\&ndash;Cu alloys},
        Url = {http://stacks.iop.org/0957-0233/16/438},
        Volume = {16},
        Year = {2005}}

@article{PhysRevLett.75.4043,
        Author = {Egry, Ivan and Lohoefer, Georg and Jacobs, Gerd},
        Date-Added = {2007-05-08 13:24:35 -0400},
        Date-Modified = {2007-05-08 13:24:35 -0400},
        Doi = {10.1103/PhysRevLett.75.4043},
        Journal = {Phys. Rev. Lett.},
        Month = {Nov},
        Number = {22},
        Numpages = {3},
        Pages = {4043--4046},
        Publisher = {American Physical Society},
        Title = {Surface Tension of Liquid Metals: Results from Measurements on Ground and in Space},
        Volume = {75},
        Year = {1995}}

@article{mendez-villuendas:185503,
        Author = {Eduardo Mendez-Villuendas and Richard K. Bowles},
        Date-Added = {2007-05-08 13:19:27 -0400},
        Date-Modified = {2007-05-08 13:19:42 -0400},
        Eid = {185503},
        Journal = {Physical Review Letters},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/PhysRevLett_98_185503.pdf},
        Number = {18},
        Numpages = {4},
        Pages = {185503},
        Publisher = {APS},
        Title = {Surface Nucleation in the Freezing of Gold Nanoparticles},
        Url = {http://link.aps.org/abstract/PRL/v98/e185503},
        Volume = {98},
        Year = {2007}}

@misc{garai-2006,
        Author = {Jozsef Garai},
        Date-Added = {2007-05-08 13:13:26 -0400},
        Date-Modified = {2007-05-08 13:13:38 -0400},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Surf_tension_vap.pdf},
        Title = {Atomic Model for the Latent Heat of Vaporization},
        Url = {http://www.citebase.org/abstract?id=oai:arXiv.org:physics/0611289},
        Year = {2006}}

@article{garai:023514,
        Author = {J. Garai and A. Laugier},
        Date-Added = {2007-05-08 13:08:58 -0400},
        Date-Modified = {2007-05-08 13:09:20 -0400},
        Eid = {023514},
        Journal = {Journal of Applied Physics},
        Keywords = {elastic moduli; thermal expansion; silver; gold; magnesium compounds; alumina; iron compounds; calcium compounds; sodium compounds; potassium compounds; high-pressure effects},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JApplPhys_101_023514.pdf},
        Number = {2},
        Numpages = {4},
        Pages = {023514},
        Publisher = {AIP},
        Title = {The temperature dependence of the isothermal bulk modulus at 1 bar pressure},
        Url = {http://link.aip.org/link/?JAP/101/023514/1},
        Volume = {101},
        Year = {2007}}

@article{PhysRevB.59.15990,
        Author = {Ruban, A. V. and Skriver, H. L. and N\o{}rskov, J. K.},
        Date-Added = {2007-05-07 11:33:33 -0400},
        Date-Modified = {2007-05-07 11:34:34 -0400},
        Doi = {10.1103/PhysRevB.59.15990},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/p15990_1.pdf},
        Month = {Jun},
        Number = {24},
        Numpages = {10},
        Pages = {15990--16000},
        Publisher = {American Physical Society},
        Title = {Surface segregation energies in transition-metal alloys},
        Volume = {59},
        Year = {1999}}

@article{Ramirez-Caballero:2006lr,
        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)},
        Author = {Ramirez Caballero, G. E. and Balbuena, P. B.},
        Date-Added = {2007-05-04 12:08:33 -0400},
        Date-Modified = {2007-05-17 16:14:32 -0400},
        Isbn = {08927022},
        Journal = {Molecular Simulation},
        Keywords = {ALLOYS; METALLIC composites; MOLECULAR dynamics; NANOPARTICLES; SURFACE chemistry; Molecular dynamics; Bimetallic particles},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Ramirez%20Caballero/2006.pdf},
        M3 = {Article},
        Number = {3/4},
        Pages = {297-303},
        Publisher = {Taylor \& Francis Ltd},
        Title = {Surface segregation phenomena in {P}t{P}d nanoparticles: dependence on nanocluster size.},
        Url = {http://search.ebscohost.com/login.aspx?direct=true&db=aph&AN=21894920&site=ehost-live},
        Volume = {32},
        Year = {2006}}

@article{sankaranarayanan:155441,
        Author = {Subramanian K. R. S. Sankaranarayanan and Venkat R. Bhethanabotla and Babu Joseph},
        Date-Added = {2007-05-04 12:01:22 -0400},
        Date-Modified = {2007-05-04 12:01:28 -0400},
        Eid = {155441},
        Journal = {Physical Review B (Condensed Matter and Materials Physics)},
        Keywords = {molecular dynamics method; melting; platinum alloys; palladium alloys; nanowires; surface segregation; specific heat; diffusion; surface structure; solid-state phase transformations; thermal stability; annealing},
        Local-Url = {file://localhost/Users/charles/Desktop/Papers/PhysRevB_74_155441.pdf},
        Number = {15},
        Numpages = {12},
        Pages = {155441},
        Publisher = {APS},
        Title = {Molecular dynamics simulation study of the melting and structural evolution of bimetallic Pd-Pt nanowires},
        Url = {http://link.aps.org/abstract/PRB/v74/e155441},
        Volume = {74},
        Year = {2006}}

@article{RuuskaH._jp031022l,
        Affiliation = {Department of Chemical Engineering, Brigham Young University, Provo, Utah 84602},
        Author = {Ruuska, H. and Pakkanen, T.A. and Rowley, R.L.},
        Date-Added = {2007-05-01 18:24:50 -0400},
        Date-Modified = {2007-05-01 18:25:03 -0400},
        Issn = {1520-6106},
        Journal = {Journal of Physical Chemistry B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp031022l.pdf},
        Number = {8},
        Pages = {2614-2619},
        Title = {MP2 Study on Water Adsorption on Cluster Models of Cu(111)},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp031022l},
        Volume = {108},
        Year = {2004}}

@book{Goldberg1989,
        Address = {Boston, MA, USA},
        Author = {David E. Goldberg},
        Date-Added = {2007-04-26 16:43:54 -0400},
        Date-Modified = {2007-04-26 16:44:19 -0400},
        Isbn = {0201157675},
        Publisher = {Addison-Wesley Longman Publishing Co., Inc.},
        Title = {Genetic Algorithms in Search, Optimization and Machine Learning},
        Year = {1989}}

@article{fennell:9175,
        Author = {Christopher J. Fennell and J. Daniel Gezelter},
        Date-Added = {2007-04-26 16:40:20 -0400},
        Date-Modified = {2007-04-26 16:40:53 -0400},
        Journal = {The Journal of Chemical Physics},
        Keywords = {molecular dynamics method; self-diffusion; ice; water; supercooling; liquid structure; liquid theory},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_120_9175.pdf},
        Number = {19},
        Pages = {9175-9184},
        Publisher = {AIP},
        Title = {On the structural and transport properties of the soft sticky dipole and related single-point water models},
        Url = {http://link.aip.org/link/?JCP/120/9175/1},
        Volume = {120},
        Year = {2004}}

@article{LiuY._jp952324t,
        Affiliation = {Departments of Biochemistry and Biophysics and of Chemistry, Washington State University, Pullman, Washington 99164-4660},
        Author = {Liu, Y. and Ichiye, T.},
        Date-Added = {2007-04-26 16:38:23 -0400},
        Date-Modified = {2007-04-26 16:38:54 -0400},
        Issn = {0022-3654},
        Journal = {Journal of Physical Chemistry},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp952324t.pdf},
        Number = {7},
        Pages = {2723-2730},
        Title = {Soft Sticky Dipole Potential for Liquid Water: A New Model},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp952324t},
        Volume = {100},
        Year = {1996}}

@article{PhysRevB.33.7983,
        Author = {Foiles, S. M. and Baskes, M. I. and Daw, M. S.},
        Date-Added = {2007-04-24 19:12:57 -0400},
        Date-Modified = {2007-04-24 19:14:30 -0400},
        Doi = {10.1103/PhysRevB.33.7983},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/p7983_1.pdf},
        Month = {Jun},
        Number = {12},
        Numpages = {8},
        Pages = {7983--7991},
        Publisher = {American Physical Society},
        Title = {Embedded-atom-method functions for the fcc metals {C}u, {A}g, {A}u, {N}i, {P}d, {P}t, and their alloys},
        Volume = {33},
        Year = {1986}}

@url{Center:uq,
        Author = {http://www.qhull.org},
        Date-Added = {2007-04-24 18:04:23 -0400},
        Date-Modified = {2007-04-24 18:06:31 -0400},
        Title = {QHull},
        Url = {http://www.qhull.org},
        Urldate = {2007}}

@article{barber96quickhull,
        Author = {C. Bradford Barber and David P. Dobkin and Hannu Huhdanpaa},
        Date-Added = {2007-04-24 18:03:53 -0400},
        Date-Modified = {2007-04-24 18:03:53 -0400},
        Journal = {ACM Transactions on Mathematical Software},
        Number = {4},
        Pages = {469--483},
        Title = {The Quickhull Algorithm for Convex Hulls},
        Url = {citeseer.ist.psu.edu/article/barber95quickhull.html},
        Volume = {22},
        Year = {1996}}

@article{II:2007fk,
        Author = {Charles ~F. {Vardeman II} and J. Daniel Gezelter},
        Date-Added = {2007-04-24 17:54:43 -0400},
        Date-Modified = {2007-04-24 17:57:35 -0400},
        Journal = {In Preperation},
        Year = {2007}}

@article{HartlandG.V._jp0276092,
        Affiliation = {Department of Mathematics and Statistics, The University of Melbourne, Victoria 3010, Australia},
        Author = {Hartland, G.V. and Hu, M. and Sader, J.E.},
        Date-Added = {2007-04-24 17:45:57 -0400},
        Date-Modified = {2007-04-24 17:46:53 -0400},
        Issn = {1520-6106},
        Journal = {Journal of Physical Chemistry B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp0276092.pdf},
        Number = {30},
        Pages = {7472-7478},
        Title = {Softening of the Symmetric Breathing Mode in Gold Particles by Laser-Induced Heating},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp0276092},
        Volume = {107},
        Year = {2003}}

@book{Tu:1992uq,
        Author = {K. N. Tu and J. W. Mayer},
        Date-Added = {2007-04-24 17:27:23 -0400},
        Date-Modified = {2007-04-24 17:29:08 -0400},
        Publisher = {Macmillian: New York},
        Title = {Electronic Thin Film Science},
        Year = {1992}}

@article{Williams:1970fk,
        Author = {Graham Williams and David C. Watts},
        Date-Added = {2007-04-24 17:02:39 -0400},
        Date-Modified = {2007-04-24 17:50:10 -0400},
        Journal = {Trans. Faraday Soc.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/KWW%20paper.pdf},
        Pages = {80-85},
        Title = {Non-symmeric dielectric relaxation behaviour arising from a simple empirical decay function},
        Volume = {66},
        Year = {1970}}

@article{kumar:204508,
        Author = {V. Senthil Kumar and V. Kumaran},
        Date-Added = {2007-02-21 15:46:43 -0500},
        Date-Modified = {2007-02-21 15:47:50 -0500},
        Eid = {204508},
        Journal = {The Journal of Chemical Physics},
        Keywords = {freezing; nucleation; phase equilibrium; stacking faults},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Kumar/2006.pdf},
        Number = {20},
        Numpages = {11},
        Pages = {204508},
        Publisher = {AIP},
        Title = {Bond-orientational analysis of hard-disk and hard-sphere structures},
        Url = {http://link.aip.org/link/?JCP/124/204508/1},
        Volume = {124},
        Year = {2006}}

@article{http://dx.doi.org/10.1039/b312640b,
        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.},
        Author = {Uzi Landman and W. D. Luedtke},
        Date-Added = {2007-02-20 19:42:37 -0500},
        Date-Modified = {2007-02-20 19:43:02 -0500},
        Doi = {10.1039/b312640b},
        Journal = {Faraday Discussions},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Landman/2004.pdf},
        Pages = {1--22},
        Title = {Small is different: energetic, structural, thermal, and mechanical properties of passivated nanocluster assemblies},
        Url = {http://dx.doi.org/10.1039/b312640b},
        Volume = {125},
        Year = {2004}}

@article{PhysRevLett.89.275502,
        Author = {Nam, H.-S. and Hwang, Nong M. and Yu, B. D. and Yoon, J.-K.},
        Date-Added = {2007-02-20 19:13:35 -0500},
        Date-Modified = {2007-02-20 19:13:56 -0500},
        Doi = {10.1103/PhysRevLett.89.275502},
        Journal = {Phys. Rev. Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Nam/2002.pdf},
        Month = {Dec},
        Number = {27},
        Numpages = {4},
        Pages = {275502},
        Publisher = {American Physical Society},
        Title = {Formation of an Icosahedral Structure during the Freezing of Gold Nanoclusters: Surface-Induced Mechanism},
        Volume = {89},
        Year = {2002}}

@article{LarsonI._la970029p,
        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},
        Author = {Larson, I. and Chan, D.Y.C. and Drummond, C.J. and Grieser, F.},
        Date-Added = {2007-02-20 19:05:40 -0500},
        Date-Modified = {2007-02-20 19:05:47 -0500},
        Issn = {0743-7463},
        Journal = {Langmuir},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Larson/1997.pdf},
        Number = {9},
        Pages = {2429-2431},
        Title = {Use of Atomic Force Microscopy Force Measurements To Monitor Citrate Displacement by Amines on Gold in Aqueous Solution},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/la970029p},
        Volume = {13},
        Year = {1997}}

@article{PillaiZ.S._jp037018r,
        Affiliation = {Notre Dame Radiation Laboratory, Notre Dame, Indiana 46556-0579},
        Author = {Pillai, Z.S. and Kamat, P.V.},
        Date-Added = {2007-02-20 18:59:05 -0500},
        Date-Modified = {2007-02-20 18:59:19 -0500},
        Issn = {1520-6106},
        Journal = {Journal of Physical Chemistry B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Pillai/2004.pdf},
        Number = {3},
        Pages = {945-951},
        Title = {What Factors Control the Size and Shape of Silver Nanoparticles in the Citrate Ion Reduction Method?},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp037018r},
        Volume = {108},
        Year = {2004}}

@article{HengleinA._la981278w,
        Affiliation = {Notre Dame Radiation Laboratory and Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556-0579},
        Author = {Henglein, A. and Meisel, D.},
        Date-Added = {2007-02-20 18:35:29 -0500},
        Date-Modified = {2007-02-20 18:35:49 -0500},
        Issn = {0743-7463},
        Journal = {Langmuir},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Henglein/1998.pdf},
        Number = {26},
        Pages = {7392-7396},
        Title = {Radiolytic Control of the Size of Colloidal Gold Nanoparticles},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/la981278w},
        Volume = {14},
        Year = {1998}}

@article{PhysRevE.56.4135,
        Author = {Bertolini, Davide and Tani, Alessandro},
        Date-Added = {2007-02-16 15:30:56 -0500},
        Date-Modified = {2007-02-16 15:31:04 -0500},
        Doi = {10.1103/PhysRevE.56.4135},
        Journal = {Phys. Rev. E},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Bertolini/1997.pdf},
        Month = {Oct},
        Number = {4},
        Numpages = {16},
        Pages = {4135--4151},
        Publisher = {American Physical Society},
        Title = {Thermal conductivity of water: Molecular dynamics and generalized hydrodynamics results},
        Volume = {56},
        Year = {1997}}

@article{Tokumasu:2004lr,
        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.},
        Author = {Tokumasu, Takashi and Kamijo, Kenjiro},
        Date-Added = {2007-02-16 15:23:00 -0500},
        Date-Modified = {2007-02-16 15:24:21 -0500},
        Journal = {Superlattices and Microstructures},
        Keywords = {Thermal conductivity; Nonequilibrium molecular dynamics; Diatomic liquid; Molecular elongation; Critical point},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Tokumasu/2004.pdf},
        Number = {3-6},
        Pages = {217--225},
        Title = {Molecular dynamics study for the thermal conductivity of diatomic liquid; Eurotherm 75 'Microscale Heat Transfer 2'},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6WXB-4CDJD1N-4/2/069b3dce0464dd2de1e61d14079e19d4},
        Volume = {35},
        Year = {2004}}

@article{VardemanC.F._jp051575r,
        Affiliation = {Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556},
        Author = {Vardeman, C.F. and Conforti, P.F. and Sprague, M.M. and Gezelter, J.D.},
        Date-Added = {2007-02-14 17:29:20 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Issn = {1520-6106},
        Journal = {Journal of Physical Chemistry B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Vardeman/2005.pdf},
        Number = {35},
        Pages = {16695-16699},
        Title = {Breathing Mode Dynamics and Elastic Properties of Gold Nanoparticles},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp051575r},
        Volume = {109},
        Year = {2005}}

@article{PhysRevB.66.224301,
        Author = {Wilson, Orla M. and Hu, Xiaoyuan and Cahill, David G. and Braun, Paul V.},
        Date-Added = {2007-02-09 18:52:24 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Doi = {10.1103/PhysRevB.66.224301},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Wilson/2002.pdf},
        Month = {Dec},
        Number = {22},
        Numpages = {6},
        Pages = {224301},
        Publisher = {American Physical Society},
        Title = {Colloidal metal particles as probes of nanoscale thermal transport in fluids},
        Volume = {66},
        Year = {2002}}

@article{PhysRevB.59.3527,
        Author = {Qi, Yue and \c{C}a\v{g}in, Tahir and Kimura, Yoshitaka and {Goddard III}, William A.},
        Date-Added = {2007-02-09 18:34:34 -0500},
        Date-Modified = {2007-05-16 15:04:34 -0400},
        Doi = {10.1103/PhysRevB.59.3527},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Qi/1999.pdf},
        Month = {Feb},
        Number = {5},
        Numpages = {6},
        Pages = {3527--3533},
        Publisher = {American Physical Society},
        Title = {Molecular-dynamics simulations of glass formation and crystallization in binary liquid metals:\quad{}{C}u-{A}g and {C}u-{N}i},
        Volume = {59},
        Year = {1999}}

@article{bhowmick:164513,
        Author = {Somnath Bhowmick and Vijay B. Shenoy},
        Date-Added = {2007-02-09 18:16:54 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {164513},
        Journal = {The Journal of Chemical Physics},
        Keywords = {stress effects; thermal conductivity; molecular dynamics method},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Bhowmick/2006.pdf},
        Number = {16},
        Numpages = {6},
        Pages = {164513},
        Publisher = {AIP},
        Title = {Effect of strain on the thermal conductivity of solids},
        Url = {http://link.aip.org/link/?JCP/125/164513/1},
        Volume = {125},
        Year = {2006}}

@article{che:6888,
        Author = {Jianwei Che and Tahir Cagin and Weiqiao Deng and William A. Goddard III},
        Date-Added = {2007-02-09 18:02:08 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {The Journal of Chemical Physics},
        Keywords = {diamond; thermal conductivity; digital simulation; vacancies (crystal); Green's function methods; isotope effects},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Che/2000.pdf},
        Number = {16},
        Pages = {6888-6900},
        Publisher = {AIP},
        Title = {Thermal conductivity of diamond and related materials from molecular dynamics simulations},
        Url = {http://link.aip.org/link/?JCP/113/6888/1},
        Volume = {113},
        Year = {2000}}

@article{Kob:1999fk,
        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). },
        Author = {Walter Kob},
        Date-Added = {2007-02-07 14:13:30 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Journal of Physics: Condensed Matter},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Kob/1999.pdf},
        Number = {10},
        Pages = {R85-R115},
        Title = {Computer simulations of supercooled liquids and glasses},
        Url = {http://stacks.iop.org/0953-8984/11/R85},
        Volume = {11},
        Year = {1999}}

@article{PhysRevB.61.5771,
        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},
        Date-Added = {2007-02-05 16:34:03 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Doi = {10.1103/PhysRevB.61.5771},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Soler/2000.pdf},
        Month = {Feb},
        Number = {8},
        Numpages = {9},
        Pages = {5771--5780},
        Publisher = {American Physical Society},
        Title = {Metallic bonding and cluster structure},
        Volume = {61},
        Year = {2000}}

@article{0953-8984-14-26-101,
        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. },
        Author = {D Y Sun and X G Gong},
        Date-Added = {2007-02-05 16:29:44 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Journal of Physics: Condensed Matter},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Sun/2002.pdf},
        Number = {26},
        Pages = {L487-L493},
        Title = {A new constant-pressure molecular dynamics method for finite systems},
        Url = {http://stacks.iop.org/0953-8984/14/L487},
        Volume = {14},
        Year = {2002}}

@article{luo:145502,
        Author = {W. K. Luo and H. W. Sheng and F. M. Alamgir and J. M. Bai and J. H. He and E. Ma},
        Date-Added = {2007-01-08 14:00:22 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {145502},
        Journal = {Physical Review Letters},
        Keywords = {silver alloys; nickel alloys; noncrystalline structure; quasicrystals; EXAFS; XANES; Monte Carlo methods},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Luo/2004.pdf},
        Number = {14},
        Numpages = {4},
        Pages = {145502},
        Publisher = {APS},
        Title = {Icosahedral Short-Range Order in Amorphous Alloys},
        Url = {http://link.aps.org/abstract/PRL/v92/e145502},
        Volume = {92},
        Year = {2004}}

@article{HuangS.-P._jp0204206,
        Affiliation = {Department of Chemical Engineering, University of South Carolina, Columbia, South Carolina 29208},
        Author = {Huang, S.-P. and Balbuena, P.B.},
        Date-Added = {2007-01-08 12:42:05 -0500},
        Date-Modified = {2007-05-07 17:19:56 -0400},
        Issn = {1520-6106},
        Journal = {Journal of Physical Chemistry B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Huang/2002.pdf},
        Number = {29},
        Pages = {7225-7236},
        Title = {Melting of Bimetallic {C}u-{N}i Nanoclusters},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp0204206},
        Volume = {106},
        Year = {2002}}

@article{Ju:2005qy,
        Address = {National Center for High-Performance Computing, No. 21, Nan-Ke 3rd Road, Hsin-Shi, Tainan, Taiwan, Republic of China},
        Author = {Ju, S. -P. and Lo, Y. -C. and Sun, S. -J. and Chang, J. -G.},
        Date-Added = {2007-01-03 18:29:53 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Isbn = {1520-6106},
        Ja = {J. Phys. Chem. B},
        Jo = {Journal of Physical Chemistry B},
        Journal = {Journal of Physical Chemistry B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Ju/2005.pdf},
        Number = {44},
        Pages = {20805--20809},
        Title = {Investigation on the Structural Variation of Co-Cu Nanoparticles during the Annealing Process},
        Ty = {JOUR},
        Url = {http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/jp052803k},
        Volume = {109},
        Year = {2005}}

@article{luo:131927,
        Author = {W. K. Luo and H. W. Sheng and E. Ma},
        Date-Added = {2007-01-03 18:15:55 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {131927},
        Journal = {Applied Physics Letters},
        Keywords = {molecular dynamics method; amorphous state; alloys},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Luo/2006.pdf},
        Number = {13},
        Numpages = {3},
        Pages = {131927},
        Publisher = {AIP},
        Title = {Pair correlation functions and structural building schemes in amorphous alloys},
        Url = {http://link.aip.org/link/?APL/89/131927/1},
        Volume = {89},
        Year = {2006}}

@article{PhysRevLett.89.075507,
        Author = {Schenk, T. and Holland-Moritz, D. and Simonet, V. and Bellissent, R. and Herlach, D. M.},
        Date-Added = {2007-01-03 18:07:34 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Doi = {10.1103/PhysRevLett.89.075507},
        Journal = {Phys. Rev. Lett.},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Schenk/2002.pdf},
        Month = {Jul},
        Number = {7},
        Numpages = {4},
        Pages = {075507},
        Publisher = {American Physical Society},
        Title = {Icosahedral Short-Range Order in Deeply Undercooled Metallic Melts},
        Volume = {89},
        Year = {2002}}

@article{Ma:2005fk,
        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.},
        Author = {Ma, E.},
        Date-Added = {2007-01-03 18:04:41 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Progress in Materials Science},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Ma/2005a.pdf},
        Number = {4},
        Pages = {413--509},
        Title = {Alloys created between immiscible elements},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TX1-4DDXN29-1/2/c79892bfea1714067d887cb627ada223},
        Volume = {50},
        Year = {2005}}

@article{2003RvMP...75..237F,
        Adsnote = {Provided by the Smithsonian/NASA Astrophysics Data System},
        Adsurl = {http://adsabs.harvard.edu/cgi-bin/nph-bib_query?bibcode=2003RvMP...75..237F&db_key=PHY},
        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.},
        Date-Added = {2007-01-03 17:57:24 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Doi = {10.1103/RevModPhys.75.237},
        Journal = {Reviews of Modern Physics},
        Month = feb,
        Pages = {237-280},
        Title = {{Diffusion in metallic glasses and supercooled melts}},
        Volume = 75,
        Year = 2003}

@article{KLEMENT:1960lr,
        Annote = {10.1038/187869b0},
        Author = {KLEMENT, W. , and WILLENS, R. H. and DUWEZ, POL},
        Date-Added = {2007-01-03 17:55:00 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Nature},
        M3 = {10.1038/187869b0},
        Number = {4740},
        Pages = {869--870},
        Title = {Non-crystalline Structure in Solidified Gold-Silicon Alloys},
        Ty = {JOUR},
        Url = {http://dx.doi.org/10.1038/187869b0},
        Volume = {187},
        Year = {1960}}

@article{Buffat:1976yq,
        Author = {Ph. Buffat and J-P. Borel},
        Date-Added = {2007-01-03 17:50:30 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Phys. Rev. A},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Buffat/1976.pdf},
        Pages = {2287--2298},
        Title = {Size effect on the melting temperature of gold particles},
        Volume = {13},
        Year = {1976}}

@article{De:1996ta,
        Author = {G. De and M. Gusso and L. Tapfer and M. Catalano and F. Gonella and G. Mattei and P. Mazzoldi and G. Battaglin},
        Date-Added = {2007-01-03 17:50:04 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Journal of Applied Physics},
        Keywords = {COMPOSITE MATERIALS; SILVER; COPPER; SOLID CLUSTERS; SOL&#150;GEL PROCESS; THIN FILMS; SILICA; ABSORPTION SPECTRA; RBS; XRD; TEM},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/De/1996a.pdf},
        Number = {12},
        Pages = {6734-6739},
        Publisher = {AIP},
        Title = {Annealing behavior of silver, copper, and silver--copper nanoclusters in a silica matrix synthesized by the sol-gel technique},
        Url = {http://link.aip.org/link/?JAP/80/6734/1},
        Volume = {80},
        Year = {1996}}

@article{Mazzone:1997pe,
        Author = {G Mazzone and V Rosato},
        Date-Added = {2007-01-03 17:49:53 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Mazzone/1997.pdf},
        Number = {2},
        Pages = {837-842},
        Title = {Molecular-dynamics calculations of thermodynamics properties of metastable alloys},
        Volume = {55},
        Year = {1997}}

@article{Sheng:2002jo,
        Author = {Sheng, H. W. and Wilde, G. and Ma, E.},
        Date-Added = {2007-01-03 17:48:54 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Acta Materialia},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Sheng/2002a.pdf},
        Number = {3},
        Pages = {475-488},
        Title = {The competing crystalline and amorphous solid solutions in the Ag-Cu system},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TW8-44W338F-3/2/3749f32cf6b1a4f8ebea936d508c9f87},
        Volume = {50},
        Year = {2002}}

@article{najafabadi:3144,
        Author = {R. Najafabadi and D. J. Srolovitz and E. Ma and M. Atzmon},
        Date-Added = {2007-01-03 17:48:54 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Journal of Applied Physics},
        Keywords = {SILVER ALLOYS; COPPER ALLOYS; THERMODYNAMIC PROPERTIES; PHASE DIAGRAMS; COMPUTERIZED SIMULATION; CALORIMETRY; BINARY ALLOY SYSTEMS; FORMATION FREE ENTHALPY; LATTICE PARAMETERS; METASTABLE PHASES},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Najafabadi/1993.pdf},
        Number = {5},
        Pages = {3144-3149},
        Publisher = {AIP},
        Title = {Thermodynamic properties of metastable Ag-Cu alloys},
        Url = {http://link.aip.org/link/?JAP/74/3144/1},
        Volume = {74},
        Year = {1993}}

@article{duwez:1136,
        Author = {Pol Duwez and R. H. Willens and W. Klement and Jr},
        Date-Added = {2007-01-03 17:48:02 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Journal of Applied Physics},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Duwez/1960.pdf},
        Number = {6},
        Pages = {1136-1137},
        Publisher = {AIP},
        Title = {Continuous Series of Metastable Solid Solutions in Silver-Copper Alloys},
        Url = {http://link.aip.org/link/?JAP/31/1136/2},
        Volume = {31},
        Year = {1960}}

@article{Banhart:1992sv,
        Author = {J Banhart and H Ebert and R Kuentzler and J Voitl\"{a}nder},
        Date-Added = {2007-01-03 17:48:02 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Banhart/1992.pdf},
        Number = {16},
        Pages = {9968-9975},
        Title = {Electronic properties of single-phased metastable Ag-Cu alloys},
        Volume = {46},
        Year = {1992}}

@article{PhysRevB.67.155409,
        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.},
        Date-Added = {2007-01-03 12:01:53 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Doi = {10.1103/PhysRevB.67.155409},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Gaudry/2003.pdf},
        Month = {Apr},
        Number = {15},
        Numpages = {10},
        Pages = {155409},
        Publisher = {American Physical Society},
        Title = {Size and composition dependence in the optical properties of mixed (transition metal/noble metal) embedded clusters},
        Volume = {67},
        Year = {2003}}

@article{rapallo:194308,
        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},
        Date-Added = {2006-12-30 15:20:37 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {194308},
        Journal = {The Journal of Chemical Physics},
        Keywords = {genetic algorithms; metal clusters; nanostructured materials; surface segregation; surface composition; optimisation; silver alloys; copper alloys; gold alloys; nickel alloys; chemical analysis},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Rapallo/2005.pdf},
        Number = {19},
        Numpages = {13},
        Pages = {194308},
        Publisher = {AIP},
        Title = {Global optimization of bimetallic cluster structures. I. Size-mismatched Ag--Cu, Ag--Ni, and Au--Cu systems},
        Url = {http://link.aip.org/link/?JCP/122/194308/1},
        Volume = {122},
        Year = {2005}}

@article{cheng:064117,
        Author = {Daojian Cheng and Shiping Huang and Wenchuan Wang},
        Date-Added = {2006-12-30 15:19:11 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {064117},
        Journal = {Physical Review B (Condensed Matter and Materials Physics)},
        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},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Cheng/2006.pdf},
        Number = {6},
        Numpages = {11},
        Pages = {064117},
        Publisher = {APS},
        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]},
        Url = {http://link.aps.org/abstract/PRB/v74/e064117},
        Volume = {74},
        Year = {2006}}

@article{rossi:105503,
        Author = {G. Rossi and A. Rapallo and C. Mottet and A. Fortunelli and F. Baletto and R. Ferrando},
        Date-Added = {2006-12-30 15:12:42 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {105503},
        Journal = {Physical Review Letters},
        Keywords = {metal clusters; nanoparticles; genetic algorithms; density functional theory; molecular dynamics method; potential energy functions; thermal stability; silver; nickel; copper; melting point; energy gap},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Rossi/2004.pdf},
        Number = {10},
        Numpages = {4},
        Pages = {105503},
        Publisher = {APS},
        Title = {Magic Polyicosahedral Core-Shell Clusters},
        Url = {http://link.aps.org/abstract/PRL/v93/e105503},
        Volume = {93},
        Year = {2004}}

@article{Hu:2005lr,
        Author = {Wangyu Hu and Shifang Xiao and Jianyu Yang and Zhi Zhang},
        Date-Added = {2006-12-30 15:06:16 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {The European Physical Journal B - Condensed Matter and Complex Systems},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Hu/2005.pdf},
        M3 = {10.1140/epjb/e2005-00210-8},
        Number = {4},
        Pages = {547--554},
        Title = {Melting evolution and diffusion behavior of vanadium nanoparticles},
        Ty = {JOUR},
        Url = {http://dx.doi.org/10.1140/epjb/e2005-00210-8},
        Volume = {V45},
        Year = {2005}}

@article{calvo:125414,
        Author = {F. Calvo and J. P. K. Doye},
        Date-Added = {2006-12-27 11:36:45 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {125414},
        Journal = {Physical Review B (Condensed Matter and Materials Physics)},
        Keywords = {metal clusters; nanostructured materials; phase diagrams; free energy; high-pressure effects},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Calvo/2004.pdf},
        Number = {12},
        Numpages = {6},
        Pages = {125414},
        Publisher = {APS},
        Title = {Pressure effects on the structure of nanoclusters},
        Url = {http://link.aps.org/abstract/PRB/v69/e125414},
        Volume = {69},
        Year = {2004}}

@article{Baltazar:2006lr,
        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.},
        Author = {Baltazar, S. E. and Romero, A. H. and Rodriguez-Lopez, J. L. and Terrones, H. and Martonak, R.},
        Date-Added = {2006-12-14 16:25:59 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Computational Materials Science},
        Keywords = {High pressures, Finite systems, Volume, Molecular dynamics},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Baltazar/2006a.pdf},
        Number = {4},
        Pages = {526--536},
        Title = {Assessment of isobaric-isothermal (NPT) simulations for finite systems},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TWM-4J72YTH-1/2/47e99bb33e4cf899d96bcf83966fc4be},
        Volume = {37},
        Year = {2006}}

@article{Kohanoff:2005,
        Author = {Kohanoff, J and Caro, A and Finnis, MW},
        Date = {SEP 5},
        Date-Added = {2006-12-14 16:21:21 -0500},
        Date-Modified = {2007-04-23 13:17:24 -0400},
        Journal = CHEMPHYSCHEM,
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Kohanoff/2005.pdf},
        Number = 9,
        Pages = {1848 - 1852},
        Title = {An isothermal-isobaric Langevin thermostat for simulating nanoparticles under pressure: Application to {A}u clusters},
        Volume = 6,
        Year = 2005}

@article{0953-8984-18-39-037,
        Abstract = {We report a classical molecular dynamics isothermal\&ndash;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. },
        Author = {S E Baltazar and A H Romero and J L Rodr\'{i}guez-L\'{o}pez and R Marto\&ncaron;\'{a}k},
        Date-Added = {2006-12-14 15:23:48 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Journal of Physics: Condensed Matter},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Baltazar/2006.pdf},
        Number = {39},
        Pages = {9119-9128},
        Title = {Finite single wall capped carbon nanotubes under hydrostatic pressure},
        Url = {http://stacks.iop.org/0953-8984/18/9119},
        Volume = {18},
        Year = {2006}}

@article{PhysRevB.63.193412,
        Author = {Sun, D. Y. and Gong, X. G. and Wang, Xiao-Qian},
        Date-Added = {2006-12-14 15:08:18 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Doi = {10.1103/PhysRevB.63.193412},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Sun/2001.pdf},
        Month = {May},
        Number = {19},
        Numpages = {4},
        Pages = {193412},
        Publisher = {American Physical Society},
        Title = {Soft and hard shells in metallic nanocrystals},
        Volume = {63},
        Year = {2001}}

@book{Leach:1996kx,
        Author = {Andrew R. Leach},
        Date-Added = {2006-11-29 19:03:23 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Publisher = {Addison-Wesley Pub. Co.},
        Title = {Molecular Modelling: Principles and Applications},
        Year = {1996}}

@article{Chen90,
        Author = {A.~P. Sutton and J. Chen},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Phil. Mag. Lett.},
        Pages = {139-146},
        Title = {Long-Range Finnis Sinclair Potentials},
        Volume = 61,
        Year = {1990}}

@article{Meineke:2004uq,
        Author = {Meineke, Matthew A. and Vardeman II, Charles F. and Teng Lin and Christopher J. Fennell and J. Daniel Gezelter},
        Date-Added = {2006-11-27 18:09:52 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Comp Chem},
        Number = {3},
        Pages = {252-271},
        Title = {{OOPSE:} An object-oriented parallel simulation engine for molecular dynamics},
        Volume = {26},
        Year = {2005}}

@book{asmvol3,
        Date-Added = {2006-11-27 14:49:12 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Publisher = {ASM},
        Title = {ASM Handbook Volume 03: Alloy Phase Diagrams},
        Year = {1992}}

@article{swygenhoven:1652,
        Author = {H. Van Swygenhoven and A. Caro},
        Date-Added = {2006-11-16 18:15:30 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Applied Physics Letters},
        Keywords = {nickel; plastic deformation; grain size; slip; molecular dynamics method; nanostructured materials},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Swygenhoven/1997.pdf},
        Number = {12},
        Pages = {1652-1654},
        Publisher = {AIP},
        Title = {Plastic behavior of nanophase Ni: A molecular dynamics computer simulation},
        Url = {http://link.aip.org/link/?APL/71/1652/1},
        Volume = {71},
        Year = {1997}}

@article{xiao:184504,
        Author = {Shifang Xiao and Wangyu Hu and Jianyu Yang},
        Date-Added = {2006-11-16 18:06:31 -0500},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {184504},
        Journal = {The Journal of Chemical Physics},
        Keywords = {silver; melting point; grain size; nanostructured materials; amorphous state; grain boundaries; computational geometry; molecular dynamics method},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Xiao/2006.pdf},
        Number = {18},
        Numpages = {4},
        Pages = {184504},
        Publisher = {AIP},
        Title = {Melting temperature: From nanocrystalline to amorphous phase},
        Url = {http://link.aip.org/link/?JCP/125/184504/1},
        Volume = {125},
        Year = {2006}}

@article{Chen:2004ec,
        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$^{13}$\&thinsp;K\&thinsp;s$^{\&minus;1}$, the nanocluster forms an amorphous type structure. At a lower cooling rate of 1.5625 $\times$ 10$^{12}$\&thinsp;K\&thinsp;s$^{\&minus;1}$, 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. },
        Author = {Ying Chen and Xiufang Bian and Jingxiang Zhang and Yanning Zhang and Li Wang},
        Date-Added = {2006-09-25 12:21:05 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Modelling and Simulation in Materials Science and Engineering},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Chen/2004.pdf},
        Number = {3},
        Pages = {373-379},
        Title = {Structure and dynamics of gold nanocluster under cooling conditions},
        Url = {http://stacks.iop.org/0965-0393/12/373},
        Volume = {12},
        Year = {2004}}

@article{HuM._jp020581+,
        Author = {Hu, M. and Hartland, G.V.},
        Date-Added = {2006-09-24 23:11:31 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Journal of Physical Chemistry B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp020581+.pdf},
        Number = {28},
        Pages = {7029-7033},
        Title = {Heat Dissipation for {A}u Particles in Aqueous Solution: Relaxation Time versus Size},
        Url = {http://dx.doi.org/10.1021/jp020581+},
        Volume = {106},
        Year = {2002}}

@article{plech:195423,
        Author = {A. Plech and V. Kotaidis and S. Gresillon and C. Dahmen and G. von Plessen},
        Date-Added = {2006-09-24 23:08:07 -0400},
        Date-Modified = {2007-03-24 12:37:59 -0400},
        Eid = {195423},
        Journal = {Phys. Rev. B},
        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},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/PhysRevB_70_195423.pdf},
        Number = {19},
        Numpages = {7},
        Pages = {195423},
        Publisher = {APS},
        Title = {Laser-induced heating and melting of gold nanoparticles studied by time-resolved x-ray scattering},
        Url = {http://link.aps.org/abstract/PRB/v70/e195423},
        Volume = {70},
        Year = {2004}}

@article{kotaidis:184702,
        Author = {V. Kotaidis and C. Dahmen and G. von Plessen and F. Springer and A. Plech},
        Date-Added = {2006-09-24 23:05:26 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {184702},
        Journal = {The Journal of Chemical Physics},
        Keywords = {gold; nanoparticles; water; laser beam effects; surface collisions; bubbles; evaporation; X-ray scattering},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_124_184702.pdf},
        Number = {18},
        Numpages = {7},
        Pages = {184702},
        Publisher = {AIP},
        Title = {Excitation of nanoscale vapor bubbles at the surface of gold nanoparticles in water},
        Url = {http://link.aip.org/link/?JCP/124/184702/1},
        Volume = {124},
        Year = {2006}}

@article{ShibataT._ja026764r,
        Author = {Shibata, T. and Bunker, B.A. and Zhang, Z. and Meisel, D. and Vardeman, C.F. and Gezelter, J.D.},
        Date-Added = {2006-09-24 22:35:30 -0400},
        Date-Modified = {2007-07-02 14:11:36 -0400},
        Journal = {JACS},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/ja026764r.pdf},
        Number = {40},
        Pages = {11989-11996},
        Title = {Size-Dependent Spontaneous Alloying of {A}u-{A}g Nanoparticles},
        Url = {http://dx.doi.org/10.1021/ja026764r},
        Volume = {124},
        Year = {2002}}

@article{qian:4514,
        Author = {J. Qian and R. Hentschke and A. Heuer},
        Date-Added = {2006-09-24 22:06:58 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {The Journal of Chemical Physics},
        Keywords = {organic compounds; molecular dynamics method; molecular reorientation; glass},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_110_4514.pdf},
        Number = {9},
        Pages = {4514-4522},
        Publisher = {AIP},
        Title = {Dynamic heterogeneities of translational and rotational motion of a molecular glass former from computer simulations},
        Url = {http://link.aip.org/link/?JCP/110/4514/1},
        Volume = {110},
        Year = {1999}}

@article{garrison:041501,
        Author = {Barbara J. Garrison and Tatiana E. Itina and Leonid V. Zhigilei},
        Date-Added = {2006-09-23 18:10:42 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {041501},
        Journal = {Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)},
        Keywords = {laser ablation; nucleation; molecular dynamics method; digital simulation; enthalpy},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/PhysRevE_68_041501.pdf},
        Number = {4},
        Numpages = {4},
        Pages = {041501},
        Publisher = {APS},
        Title = {Limit of overheating and the threshold behavior in laser ablation},
        Url = {http://link.aps.org/abstract/PRE/v68/e041501},
        Volume = {68},
        Year = {2003}}

@article{DouY._jp003913o,
        Author = {Dou, Y. and Zhigilei, L.V. and Winograd, N. and Garrison, B.J.},
        Date-Added = {2006-09-23 18:02:53 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Journal of Physical Chemistry A},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/jp003913o.pdf},
        Number = {12},
        Pages = {2748-2755},
        Title = {Explosive Boiling of Water Films Adjacent to Heated Surfaces: A Microscopic Description},
        Url = {http://dx.doi.org/10.1021/jp003913o},
        Volume = {105},
        Year = {2001}}

@misc{ganesh-2006-,
        Author = {P. Ganesh and M. Widom},
        Date-Added = {2006-09-22 14:21:33 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/ico_cu.pdf},
        Title = {Signature of nearly icosahedral structures in liquid and supercooled liquid Copper},
        Url = {http://www.citebase.org/abstract?id=oai:arXiv.org:cond-mat/0602239},
        Year = {2006}}

@article{wolde:9932,
        Author = {Pieter Rein ten Wolde and Maria J. Ruiz-Montero and Daan Frenkel},
        Date-Added = {2006-09-22 14:12:18 -0400},
        Date-Modified = {2007-03-24 12:28:27 -0400},
        Journal = {J. Chem. Phys.},
        Keywords = {NUCLEATION; CRYSTALLIZATION; LENNARD&#150;JONES POTENTIAL; COMPUTERIZED SIMULATION; FCC LATTICES; BCC LATTICES; CRITICAL SIZE; ORDER PARAMETERS; SOLID&#150;FLUID INTERFACES; MOLECULAR DYNAMICS CALCULATIONS; REACTION RATES},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/JChemPhys_104_9932.pdf},
        Number = {24},
        Pages = {9932-9947},
        Publisher = {AIP},
        Title = {Numerical calculation of the rate of crystal nucleation in a Lennard-Jones system at moderate undercooling},
        Url = {http://link.aip.org/link/?JCP/104/9932/1},
        Volume = {104},
        Year = {1996}}

@article{Cleveland:1997gu,
        Author = {Charles L. Cleveland and Uzi Landman and Marat N. Shafigullin and Peter W. Stephens and Robert L. Whetten},
        Date-Added = {2006-09-22 14:07:59 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Z. Phys. D},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Cleveland/1997.pdf},
        Pages = {503-508},
        Title = {Structural evolution of larger gold clusters},
        Volume = {40},
        Year = {1997}}

@article{Breaux:rz,
        Author = {Gary A. Breaux and Baopeng Cao and Martin F. Jarrold},
        Date-Added = {2006-09-22 14:07:40 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Breaux/2005.pdf},
        Title = {Second-Order Phase Transitions in Amorphous Gallium Clusters},
        Volume = {10.1021/jp052887x},
        Year = {2005}}

@misc{Magruder:1994rg,
        Author = {Magruder, III, R. H. and Osborne, Jr. , D. H. and Zuhr, R. A.},
        Date-Added = {2006-09-22 14:07:26 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Journal of Non-Crystalline Solids},
        Number = {2-3},
        Pages = {299 --303},
        Title = {Non-linear optical properties of nanometer dimension Ag---Cu particles in silica formed by sequential ion implantation},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TXM-48N5KMY-112/2/0e487c2fae5720cdcda8b63ff74b819f},
        Volume = {176},
        Year = {1994}}

@article{BenjaminGilbert07302004,
        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.
},
        Author = {Gilbert, Benjamin and Huang, Feng and Zhang, Hengzhong and Waychunas, Glenn A. and Banfield, Jillian F.},
        Date-Added = {2006-09-22 14:07:15 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eprint = {http://www.sciencemag.org/cgi/reprint/305/5684/651.pdf},
        Journal = {Science},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Gilbert/2004b.pdf},
        Number = {5684},
        Pages = {651-654},
        Title = {Nanoparticles: Strained and Stiff},
        Url = {http://www.sciencemag.org/cgi/content/abstract/305/5684/651},
        Volume = {305},
        Year = {2004}}

@article{sheng:184203,
        Author = {H. W. Sheng and J. H. He and E. Ma},
        Date-Added = {2006-09-22 14:07:07 -0400},
        Date-Modified = {2007-05-16 14:58:31 -0400},
        Eid = {184203},
        Journal = {Phys. Rev. B},
        Keywords = {silver alloys; copper alloys; rapid solidification; quenching (thermal); molecular dynamics method; crystal structure; amorphous state; short-range order},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Sheng/2002.pdf},
        Number = {18},
        Numpages = {10},
        Pages = {184203},
        Publisher = {APS},
        Title = {Molecular dynamics simulation studies of atomic-level structures in rapidly quenched Ag-Cu nonequilibrium alloys},
        Url = {http://link.aps.org/abstract/PRB/v65/e184203},
        Volume = {65},
        Year = {2002}}

@article{Chushak:2001ry,
        Author = {Y G Chushak and L S Bartell},
        Date-Added = {2006-09-22 14:07:00 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Chushak/2001.pdf},
        Number = {47},
        Pages = {11605-11614},
        Title = {Melting and Freezing of Gold Nanoclusters},
        Volume = {105},
        Year = {2001}}

@article{Hodak:2000rb,
        Author = {Jos\'{e} H. Hodak and Arnim Henglein and Michael Giersig and Gregory V. Hartland},
        Date-Added = {2006-09-22 14:06:51 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {J. Phys. Chem. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Hodak/2000.pdf},
        Pages = {11708 - 11718},
        Title = {Laser-Induced Inter-Diffusion in {A}u{A}g Core-Shell Nanoparticles},
        Volume = {104},
        Year = {2000}}

@article{Gafner:2004bg,
        Author = {Yu. Ya. Gafner and S. L. Gafner and P. Entel},
        Date-Added = {2006-09-22 14:06:33 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Phys. Sol. State},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Gafner/2004a.pdf},
        Number = {7},
        Pages = {1327--1330},
        Title = {Formation of an Icosahedral Structure during Crystallization of Nickel Nanoclusters},
        Volume = {46},
        Year = {2004}}

@article{he:125507,
        Author = {J. H. He and H. W. Sheng and J. S. Lin and P. J. Schilling and R. C. Tittsworth and E. Ma},
        Date-Added = {2006-09-22 14:06:29 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Eid = {125507},
        Journal = {Physical Review Letters},
        Keywords = {solid solutions; silver alloys; copper alloys; quenching (thermal); EXAFS; X-ray scattering; solubility; simulation},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/He/2002.pdf},
        Number = {12},
        Numpages = {4},
        Pages = {125507},
        Publisher = {APS},
        Title = {Homogeneity of a Supersaturated Solid Solution},
        Url = {http://link.aps.org/abstract/PRL/v89/e125507},
        Volume = {89},
        Year = {2002}}

@article{Vardeman-II:2001jn,
        Author = {C.~F. {Vardeman II} and J.~D. Gezelter},
        Date-Added = {2006-09-22 14:05:53 -0400},
        Date-Modified = {2007-03-12 17:38:32 -0400},
        Journal = {J. Phys. Chem. A},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Vardeman%20II/2001.pdf},
        Number = {12},
        Pages = {2568},
        Title = {Comparing models for diffusion in supercooled liquids: The eutectic composition of the {A}g-{C}u alloy},
        Volume = {105},
        Year = {2001}}

@article{Steinhardt:1983mo,
        Author = {P. J. Steinhardt and D. R. Nelson and M. Ronchetti},
        Date-Added = {2006-09-22 14:05:49 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Phys. Rev. B},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/1983.pdf},
        Number = {2},
        Pages = {784-804},
        Title = {Bond-Orientational order in liquids and glasses},
        Volume = {28},
        Year = {1983}}

@book{Massalski:1986kl,
        Date-Added = {2006-09-22 14:05:43 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Editor = {T B Massalski},
        Publisher = {Materials Park, OH: American Society for Metals},
        Title = {Binary alloy phase diagrams},
        Volume = {1-3},
        Year = {1986}}

@article{Ascencio:2000qy,
        Author = {Ascencio, Jorge A. and Perez, Mario and Jose-Yacaman, Miguel},
        Date-Added = {2006-09-22 14:05:27 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Surface Science},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/Ascencio/2000.pdf},
        Number = {1-3},
        Pages = {73 --80},
        Title = {A truncated icosahedral structure observed in gold nanoparticles},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TVX-3YKKDPN-F/2/18d016014a0c4b12954cb264d8688ecc},
        Volume = {447},
        Year = {2000}}

@article{Spohr:1995lr,
        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.},
        Author = {Spohr, E.},
        Date-Added = {2006-08-21 18:29:05 -0400},
        Date-Modified = {2007-02-16 15:23:00 -0500},
        Journal = {Journal of Molecular Liquids},
        Local-Url = {file://localhost/Users/charles/Documents/Papers/sdarticle.pdf},
        Number = {1-2},
        Pages = {91--100},
        T2 = {Ultrafast Phenomena in Liquids and Glasses},
        Title = {Ion adsorption on metal surfaces. The role of water-metal interactions},
        Ty = {JOUR},
        Url = {http://www.sciencedirect.com/science/article/B6TGR-4002H6G-G/2/7b778ec712c1e86796cf919249d0f6a7},
        Volume = {64},
        Year = {1995}}

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Revision:	3226
Committed:	Wed Sep 19 16:53:58 2007 UTC (17 years, 11 months ago) by chuckv
File size:	109133 byte(s)
Log Message:	More writing.