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1 %% This BibTeX bibliography file was created using BibDesk.
2 %% http://bibdesk.sourceforge.net/
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5 %% Created for Patrick Louden at 2014-12-16 16:36:38 -0500
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8 %% Saved with string encoding Unicode (UTF-8)
9
10
11
12 @article{Bordat02,
13 Author = {Patrice Bordat and Florian M\"uller-Plathe},
14 Date-Added = {2014-12-16 21:34:06 +0000},
15 Date-Modified = {2014-12-16 21:35:59 +0000},
16 Journal = {J. Chem. Phys.},
17 Keywords = {RNEMD},
18 Pages = {3362},
19 Title = {The shear viscosity of molecular fluids: A calculation by reverse nonequilibrium molecular dynamics},
20 Volume = {116},
21 Year = {2002}}
22
23 @article{Muller99,
24 Author = {M\"uller-Plathe, Florian},
25 Date-Added = {2014-12-16 21:27:33 +0000},
26 Date-Modified = {2014-12-16 21:27:41 +0000},
27 Doi = {10.1103/PhysRevE.59.4894},
28 Issue = {5},
29 Journal = {Phys. Rev. E},
30 Month = {May},
31 Numpages = {5},
32 Pages = {4894--4898},
33 Publisher = {American Physical Society},
34 Title = {Reversing the perturbation in nonequilibrium molecular dynamics: An easy way to calculate the shear viscosity of fluids},
35 Url = {http://link.aps.org/doi/10.1103/PhysRevE.59.4894},
36 Volume = {59},
37 Year = {1999},
38 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.59.4894},
39 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.59.4894}}
40
41 @article{Cavalcanti07,
42 Author = {Cavalcanti, W. L. and Chen, X. and M{\"u}ller-Plathe, F.},
43 Date-Added = {2014-12-16 21:23:51 +0000},
44 Date-Modified = {2014-12-16 21:24:07 +0000},
45 Doi = {10.1002/pssa.200675201},
46 Issn = {1862-6319},
47 Journal = {physica status solidi (a)},
48 Keywords = {02.70.Ns, 05.10.−a, 07.05.Tp, 61.20.Ja, 66.20.+d, 67.57.Hi},
49 Number = {4},
50 Pages = {935--939},
51 Publisher = {WILEY-VCH Verlag},
52 Title = {Shear viscosity calculations through a reverse nonequilibrium method},
53 Url = {http://dx.doi.org/10.1002/pssa.200675201},
54 Volume = {204},
55 Year = {2007},
56 Bdsk-Url-1 = {http://dx.doi.org/10.1002/pssa.200675201}}
57
58 @article{Ho:2011zr,
59 Abstract = {Understanding and predicting the behavior of water, especially in contact with various surfaces, is a scientific challenge. Molecular-level understanding of hydrophobic effects and their macroscopic consequences, in particular, is critical to many applications. Macroscopically, a surface is classified as hydrophilic or hydrophobic depending on the contact angle formed by a water droplet. Because hydrophobic surfaces tend to cause water slip whereas hydrophilic ones do not, the former surfaces can yield self-cleaning garments and ice-repellent materials whereas the latter cannot. The results presented herein suggest that this dichotomy might be purely coincidental. Our simulation results demonstrate that hydrophilic surfaces can show features typically associated with hydrophobicity, namely liquid water slip. Further analysis provides details on the molecular mechanism responsible for this surprising result.},
60 Author = {Ho, Tuan Anh and Papavassiliou, Dimitrios V. and Lee, Lloyd L. and Striolo, Alberto},
61 Date-Added = {2014-12-15 15:24:31 +0000},
62 Date-Modified = {2014-12-15 15:24:33 +0000},
63 Doi = {10.1073/pnas.1105189108},
64 Eprint = {http://www.pnas.org/content/108/39/16170.full.pdf+html},
65 Journal = {Proceedings of the National Academy of Sciences},
66 Number = {39},
67 Pages = {16170-16175},
68 Title = {Liquid water can slip on a hydrophilic surface},
69 Url = {http://www.pnas.org/content/108/39/16170.abstract},
70 Volume = {108},
71 Year = {2011},
72 Bdsk-Url-1 = {http://www.pnas.org/content/108/39/16170.abstract},
73 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.1105189108}}
74
75 @article{Bouzigues:2008ys,
76 Author = {Bouzigues, C. and Tabeling, P. and Bocquet, L.},
77 Date-Added = {2014-12-15 15:17:45 +0000},
78 Date-Modified = {2014-12-15 15:17:47 +0000},
79 Doi = {10.1103/PhysRevLett.101.114503},
80 Issue = {11},
81 Journal = {Phys. Rev. Lett.},
82 Month = {Sep},
83 Numpages = {4},
84 Pages = {114503},
85 Publisher = {American Physical Society},
86 Title = {Nanofluidics in the Debye Layer at Hydrophilic and Hydrophobic Surfaces},
87 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.101.114503},
88 Volume = {101},
89 Year = {2008},
90 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.101.114503},
91 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.101.114503}}
92
93 @article{Lasne:2008vn,
94 Author = {Lasne, D. and Maali, A. and Amarouchene, Y. and Cognet, L. and Lounis, B. and Kellay, H.},
95 Date-Added = {2014-12-15 15:15:12 +0000},
96 Date-Modified = {2014-12-15 15:15:13 +0000},
97 Doi = {10.1103/PhysRevLett.100.214502},
98 Issue = {21},
99 Journal = {Phys. Rev. Lett.},
100 Month = {May},
101 Numpages = {4},
102 Pages = {214502},
103 Publisher = {American Physical Society},
104 Title = {Velocity Profiles of Water Flowing Past Solid Glass Surfaces Using Fluorescent Nanoparticles and Molecules as Velocity Probes},
105 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.100.214502},
106 Volume = {100},
107 Year = {2008},
108 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.100.214502},
109 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.100.214502}}
110
111 @article{Schaeffel:2013kx,
112 Author = {Schaeffel, David and Yordanov, Stoyan and Schmelzeisen, Marcus and Yamamoto, Tetsuya and Kappl, Michael and Schmitz, Roman and D\"unweg, Burkhard and Butt, Hans-J\"urgen and Koynov, Kaloian},
113 Date-Added = {2014-12-15 15:13:13 +0000},
114 Date-Modified = {2014-12-15 15:13:15 +0000},
115 Doi = {10.1103/PhysRevE.87.051001},
116 Issue = {5},
117 Journal = {Phys. Rev. E},
118 Month = {May},
119 Numpages = {4},
120 Pages = {051001},
121 Publisher = {American Physical Society},
122 Title = {Hydrodynamic boundary condition of water on hydrophobic surfaces},
123 Url = {http://link.aps.org/doi/10.1103/PhysRevE.87.051001},
124 Volume = {87},
125 Year = {2013},
126 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.87.051001},
127 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.87.051001}}
128
129 @article{Sendner:2009uq,
130 Author = {Sendner, Christian and Horinek, Dominik and Bocquet, Lyderic and Netz, Roland R.},
131 Date-Added = {2014-12-15 14:58:24 +0000},
132 Date-Modified = {2014-12-15 14:58:24 +0000},
133 Doi = {10.1021/la901314b},
134 Eprint = {http://dx.doi.org/10.1021/la901314b},
135 Journal = {Langmuir},
136 Note = {PMID: 19591481},
137 Number = {18},
138 Pages = {10768-10781},
139 Title = {Interfacial Water at Hydrophobic and Hydrophilic Surfaces: Slip, Viscosity, and Diffusion},
140 Url = {http://dx.doi.org/10.1021/la901314b},
141 Volume = {25},
142 Year = {2009},
143 Bdsk-Url-1 = {http://dx.doi.org/10.1021/la901314b}}
144
145 @article{Fennell:2005fk,
146 Author = {Fennell, Christopher J. and Gezelter, J. Daniel},
147 Date-Added = {2014-12-11 16:43:07 +0000},
148 Date-Modified = {2014-12-11 16:43:07 +0000},
149 Doi = {10.1021/ct050005s},
150 Eprint = {http://dx.doi.org/10.1021/ct050005s},
151 Journal = {Journal of Chemical Theory and Computation},
152 Number = {4},
153 Pages = {662-667},
154 Title = {Computational Free Energy Studies of a New Ice Polymorph Which Exhibits Greater Stability than Ice Ih},
155 Url = {http://dx.doi.org/10.1021/ct050005s},
156 Volume = {1},
157 Year = {2005},
158 Bdsk-Url-1 = {http://dx.doi.org/10.1021/ct050005s}}
159
160 @article{Young05,
161 Author = {T. Young},
162 Date-Added = {2014-12-10 22:18:00 +0000},
163 Date-Modified = {2014-12-10 22:18:37 +0000},
164 Journal = {Phil. Trans. R. Soc. Lond.},
165 Pages = {65-87},
166 Title = {An Essay on the Cohesion of Fluids},
167 Volume = {95},
168 Year = {1805}}
169
170 @article{Koishi09,
171 Author = {Koishi, Takahiro and Yasuoka, Kenji and Fujikawa, Shigenori and Ebisuzaki, Toshikazu and Zeng, Xiao Cheng},
172 Date-Added = {2014-12-10 22:10:55 +0000},
173 Date-Modified = {2014-12-10 22:12:14 +0000},
174 Journal = {PNAS},
175 Keywords = {nano, contact angle, pillars, surface},
176 Pages = {8435-8440},
177 Title = {Coexistence and transition between Cassie and Wenzel state on pillared hydrophobic surface},
178 Volume = {106},
179 Year = {2009}}
180
181 @article{Molinero09,
182 Author = {Valeria Molinero and Emily B. Moore},
183 Date-Added = {2014-12-09 20:32:05 +0000},
184 Date-Modified = {2014-12-09 20:32:58 +0000},
185 Journal = {J. Phys. Chem. B.},
186 Keywords = {water model, mW model},
187 Pages = {4008-4016},
188 Title = {Water Modeled As an Intermediate Element between Carbon and Sillicon},
189 Volume = {113},
190 Year = {2009}}
191
192 @article{Garcia-Fernandez:2006pb,
193 Author = {Garc{\'\i}a Fern{\'a}ndez, Ram{\'o}n and Abascal, Jos{\'e} L. F. and Vega, Carlos},
194 Date-Added = {2014-12-09 19:23:55 +0000},
195 Date-Modified = {2014-12-09 19:23:55 +0000},
196 Doi = {http://dx.doi.org/10.1063/1.2183308},
197 Eid = 144506,
198 Journal = {The Journal of Chemical Physics},
199 Number = {14},
200 Pages = {-},
201 Title = {The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface},
202 Url = {http://scitation.aip.org/content/aip/journal/jcp/124/14/10.1063/1.2183308},
203 Volume = {124},
204 Year = {2006},
205 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/124/14/10.1063/1.2183308},
206 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2183308}}
207
208 @article{Hirvi06,
209 Author = {Janne T. Hirvi and Tapani A. Pakkanen},
210 Date-Added = {2014-12-08 21:57:42 +0000},
211 Date-Modified = {2014-12-08 21:59:15 +0000},
212 Journal = {J. Chem. Phys.},
213 Keywords = {contact angle},
214 Pages = {144712},
215 Title = {Molecular dynamics simulations of water droplets on polymer surfaces},
216 Volume = {125},
217 Year = {2006}}
218
219 @article{Hautman91,
220 Author = {Joseph Hautman and Michael L. Klein},
221 Date-Added = {2014-12-08 21:55:44 +0000},
222 Date-Modified = {2014-12-08 21:57:40 +0000},
223 Journal = {Phys. Rev. Lett.},
224 Keywords = {contact angle},
225 Number = {13},
226 Pages = {1763-1766},
227 Title = {Microscopic Wetting Phenomena},
228 Volume = {67},
229 Year = {1991}}
230
231 @article{Ruijter99,
232 Author = {M. J. de Ruijter and T. D. Blake and J. De Coninck},
233 Date-Added = {2014-12-08 19:46:25 +0000},
234 Date-Modified = {2014-12-08 19:47:33 +0000},
235 Journal = {Langmuir},
236 Keywords = {contact angle},
237 Pages = {7836-7847},
238 Title = {Dynamic Wetting Studied by Molecular Modeling Simulations of Droplet Spreading},
239 Volume = {15},
240 Year = {1999}}
241
242 @article{Ritchie12,
243 Author = {John A. Ritchie and Jamileh Seyed Yazdi and Dusan Bratko and Alenka Luzar},
244 Date-Added = {2014-12-05 19:20:33 +0000},
245 Date-Modified = {2014-12-05 19:21:36 +0000},
246 Journal = {J. Phys. Chem. C},
247 Keywords = {surface, contact angle, electrowetting},
248 Pages = {8634-8641},
249 Title = {Metastable Sessile Nanodroplets on Nanopatterned Surfaces},
250 Volume = {116},
251 Year = {2012}}
252
253 @article{Daub11,
254 Author = {Christopher D. Daub and Dusan Bratko and Alenka Luzar},
255 Date-Added = {2014-12-05 19:19:04 +0000},
256 Date-Modified = {2014-12-05 19:20:29 +0000},
257 Journal = {J. Phys. Chem. C},
258 Keywords = {surface, contact angle, electrowetting},
259 Pages = {22393-22399},
260 Title = {Electric control of wetting by salty nanodrops: molecular dynamics simulations},
261 Volume = {115},
262 Year = {2011}}
263
264 @article{Daub10,
265 Author = {Christopher D. Daub and Jihang Wang and Shobhit Kudesia and Dusan Bratko and Alenka Luzar},
266 Date-Added = {2014-12-05 19:17:45 +0000},
267 Date-Modified = {2014-12-05 19:19:00 +0000},
268 Journal = {Faraday Discussions},
269 Keywords = {contact angle, surface, electrowetting},
270 Pages = {67-77},
271 Title = {The influence of molecular-scale roughness on the surface spreading of an aqueous nanodrop},
272 Volume = {146},
273 Year = {2010}}
274
275 @article{Daub07,
276 Author = {Christopher D. Daub and Dusan Bratko and Kevin Leung and Alenka Luzar},
277 Date-Added = {2014-12-05 19:16:05 +0000},
278 Date-Modified = {2014-12-05 19:17:33 +0000},
279 Journal = {J. Phys. Chem. C. Lett.},
280 Keywords = {contact angle, surface, electrowetting},
281 Pages = {505-509},
282 Title = {Electrowetting at the Nanoscale},
283 Volume = {111},
284 Year = {2007}}
285
286 @article{Manukyan11,
287 Author = {G. Manukyan and J. M. Oh and D. van den Ende and R. G. H. Lammertink and F. Mugele},
288 Date-Added = {2014-12-05 19:06:11 +0000},
289 Date-Modified = {2014-12-05 19:08:49 +0000},
290 Journal = {Phys. Rev. Lett.},
291 Keywords = {experimental, surface, contact angle, electrowetting},
292 Pages = {014501},
293 Title = {Electric switching of wetting states on superhydrophobic surfaces: a route towards reversible Cassie-to-Wenzel transitions},
294 Volume = {106},
295 Year = {2011}}
296
297 @article{Dhindsa06,
298 Author = {M. S. Dhindsa and N. R. Smith and J. Heikenfeld},
299 Date-Added = {2014-12-05 18:08:22 +0000},
300 Date-Modified = {2014-12-05 18:09:22 +0000},
301 Journal = {Langmuir},
302 Keywords = {experimental, surface, contact angle, electrowetting},
303 Pages = {9030-9034},
304 Title = {Reversible electrowetting of vertically aligned superhydrophobic carbon nanofibers},
305 Volume = {22},
306 Year = {2006}}
307
308 @article{Herbertson06,
309 Author = {D. L. Herbertson and C. R. Evans and N. J. Shirtcliffe and G. McHale and M. I. Newton},
310 Date-Added = {2014-12-05 18:06:20 +0000},
311 Date-Modified = {2014-12-05 18:08:17 +0000},
312 Journal = {Sensors and Actuators A},
313 Keywords = {experimental, surface, contact angle, electrowetting},
314 Pages = {189-193},
315 Title = {Electrowetting on superhydrophobic SU-8 patterned surfaces},
316 Volume = {130-131},
317 Year = {2006}}
318
319 @article{Verplanck07,
320 Author = {N. Verplanck and E. Galopin and J.-C. Camart and V. Thomy},
321 Date-Added = {2014-12-05 18:04:34 +0000},
322 Date-Modified = {2014-12-05 18:06:11 +0000},
323 Journal = {Nano Letters},
324 Keywords = {experimental,surface, contact angle, electrowetting},
325 Number = {3},
326 Pages = {813-817},
327 Title = {Reversible electrowetting on superhydrophobic silicon nanowires},
328 Volume = {7},
329 Year = {2007}}
330
331 @article{Sun04,
332 Author = {T. Sun and G. Wang and L. Feng and B. Liu and Y. Ma and L. Jiang and D. Zhu},
333 Date-Added = {2014-12-05 18:01:24 +0000},
334 Date-Modified = {2014-12-05 18:03:03 +0000},
335 Journal = {Angew. Chem. Int. Ed.},
336 Keywords = {experimental, contact angle, surface},
337 Pages = {357-360},
338 Title = {Reversible switching between superhydrophilicity and superhydrophobicity},
339 Volume = {43},
340 Year = {2004}}
341
342 @article{Liu04,
343 Author = {H. Liu and L. Feng and J. Zhai and L. Jiang and D. Zhu},
344 Date-Added = {2014-12-05 17:59:40 +0000},
345 Date-Modified = {2014-12-05 18:01:15 +0000},
346 Journal = {Langmuir},
347 Keywords = {experimental, surface, contact angle},
348 Pages = {5659-5661},
349 Title = {Reversible wettability of a chemical vapor deposition prepared ZnO film between superhydrophobicity and superhydrophilicty},
350 Volume = {20},
351 Year = {2004}}
352
353 @article{Tadanaga00,
354 Author = {K. Tadanada and J. Morinaga and A. Matsuda and T. Minami},
355 Date-Added = {2014-12-05 17:56:24 +0000},
356 Date-Modified = {2014-12-05 17:58:00 +0000},
357 Journal = {Chem. Matter.},
358 Keywords = {experimental, contact angle, surface},
359 Pages = {590-592},
360 Title = {Superhyrophobic-Superhydrophilic Micropatterning on Flowerlike Alumina Coating Film by the Sol-Gel Method},
361 Volume = {12},
362 Year = {2000}}
363
364 @article{Ahuja08,
365 Author = {A. Ahuja and J. A. Taylor and V. Lifton and A. A. Sidorenko and T. R. Salamon and E. J. Lobaton and P. Kolodner and T. N. Krupenkin},
366 Date-Added = {2014-12-05 17:48:19 +0000},
367 Date-Modified = {2014-12-05 17:50:42 +0000},
368 Journal = {Langmuir},
369 Keywords = {experimental, contact angle, nano, surface},
370 Pages = {9-14},
371 Title = {Nanonails: A Simple Geometric Approach to Electrically Tunable Superlyophobic Surfaces},
372 Volume = {24},
373 Year = {2008}}
374
375 @article{Sazaki12,
376 Author = {Sazaki, G. and Zepeda, S. and Nakatsubo, S. and Yokomine, M. and Furukawa, Y.},
377 Date-Added = {2014-12-04 22:09:50 +0000},
378 Date-Modified = {2014-12-04 22:11:05 +0000},
379 Journal = {PNAS},
380 Keywords = {QLL, crystal surface},
381 Number = {4},
382 Pages = {1052-1055},
383 Title = {Quasi-liquid layers on ice crystal surfaces are made up of two different phases},
384 Volume = {109},
385 Year = {2012}}
386
387 @article{Sazaki10,
388 Author = {Sazaki, G. and Zepeda, S. and Nakatsubo, S. and Yokoyama, E. and Furukawa, Y.},
389 Date-Added = {2014-12-04 22:07:48 +0000},
390 Date-Modified = {2014-12-04 22:09:47 +0000},
391 Journal = {PNAS},
392 Keywords = {QLL, microscopy, crystal surface},
393 Number = {46},
394 Pages = {19702-19707},
395 Title = {Elementary steps at the surface of ice crystals visualized by advanced optical microscopy},
396 Volume = {107},
397 Year = {2010}}
398
399 @article{Nada11b,
400 Author = {H. Nada},
401 Date-Added = {2014-12-04 20:55:30 +0000},
402 Date-Modified = {2014-12-04 20:56:52 +0000},
403 Journal = {Crystal growth \& design},
404 Keywords = {Crystal growth},
405 Number = {7},
406 Pages = {3130-3136},
407 Title = {Analysis of ice crystal growth shape under high pressure using molecular dynamics simulation},
408 Volume = {11},
409 Year = {2011}}
410
411 @article{Nada08,
412 Author = {H. Nada and Y. Furukawa},
413 Date-Added = {2014-12-04 20:24:34 +0000},
414 Date-Modified = {2014-12-04 20:25:49 +0000},
415 Journal = {J. Phys. Chem. B.},
416 Keywords = {Antifreeze proteins},
417 Pages = {7111-7119},
418 Title = {Growth inhibition mechanism of an ice-water interface by a mutant of winter flounder antifreeze protein: A molecular dynamics study},
419 Volume = {112},
420 Year = {2008}}
421
422 @article{Nada11,
423 Author = {H. Nada and Y. Furukawa},
424 Date-Added = {2014-12-04 20:20:34 +0000},
425 Date-Modified = {2014-12-04 20:21:48 +0000},
426 Journal = {PCCP},
427 Keywords = {Antifreeze proteins},
428 Pages = {19936-19942},
429 Title = {Growth inhibition at the ice prismatic plane induced by a spruce budworm antifreeze protein: a molecular dynamics simulation study},
430 Volume = {13},
431 Year = {2011}}
432
433 @article{Vrbka07,
434 Author = {Vrbka, L. and Jungwirth, P.},
435 Date-Added = {2014-12-04 19:16:47 +0000},
436 Date-Modified = {2014-12-04 19:18:30 +0000},
437 Journal = {Journal of Molecular Liquids},
438 Keywords = {SPC/E, melting point, salt, NaCl},
439 Pages = {64-70},
440 Title = {Molecular dynamics simulations of freezing of water and salt solutions},
441 Volume = {134},
442 Year = {2007}}
443
444 @article{Fernandez06,
445 Author = {Garcia Fernandec, R. and Abascal, J. L. F. and Vega, C.},
446 Date-Added = {2014-12-04 19:02:51 +0000},
447 Date-Modified = {2014-12-04 19:04:36 +0000},
448 Journal = {J. Chem. Phys.},
449 Keywords = {melting point, SPC/E, TIP4P, TIP4P-Ew, TIP4P/Ice, TIP4P/2005, TIP5P, TIP5P-Ew},
450 Pages = {144506},
451 Title = {The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface},
452 Volume = {124},
453 Year = {2006}}
454
455 @article{Sanz04b,
456 Author = {E. Sanz and C. Vega and J. L. F. Abascal and L. G. MacDowell},
457 Date-Added = {2014-12-04 18:59:12 +0000},
458 Date-Modified = {2014-12-05 19:30:52 +0000},
459 Journal = {Phys. Rev. Lett.},
460 Keywords = {SPC/E, TIP4P, phase diagram},
461 Number = {25},
462 Pages = {255701},
463 Title = {Phase Diagram of Water from Computer Simulation},
464 Volume = {92},
465 Year = {2004}}
466
467 @article{Abascal07,
468 Author = {Abascal, J. L. F. and Garcia Fernandec, R. and MacDowell, L. G. and Sanz, E. and Vega, C.},
469 Date-Added = {2014-12-04 18:28:27 +0000},
470 Date-Modified = {2014-12-04 18:31:09 +0000},
471 Journal = {Journal of Molecular Liquids},
472 Keywords = {SPC, SPC/E, TIP4P, TIP4P/Ice, TIP4P/2005, melting point},
473 Pages = {214},
474 Title = {Ice: A fruitful source of information about liquid water},
475 Volume = {136},
476 Year = {2007}}
477
478 @article{Koyama04,
479 Author = {Koyama, Yuji and Tanaka, Hideki and Gao, Gunangtu and Zeng, X. C.},
480 Date-Added = {2014-12-04 18:23:38 +0000},
481 Date-Modified = {2014-12-04 18:25:40 +0000},
482 Journal = {J. Chem. Phys.},
483 Keywords = {TIP4P, TIP5P, melting point},
484 Pages = {7926},
485 Title = {Melting points and thermal expansitivities of proton-disordered hexangonal ice with several model potentials},
486 Volume = {121},
487 Year = {2004}}
488
489 @article{Wang05,
490 Author = {Wang, J. and Yoo, S. and Bai, J. and Morris, James R. and Zeng, X. C.},
491 Date-Added = {2014-12-04 18:20:24 +0000},
492 Date-Modified = {2014-12-04 18:22:11 +0000},
493 Journal = {J. Chem. Phys.},
494 Keywords = {TIP4P, TIP5P, TIP4P-Ew, TIP5P-Ew, melting point,},
495 Pages = {036101},
496 Title = {Melting temperature of ice Ih calculated from coexisting solid-liquid phases},
497 Volume = {123},
498 Year = {2005}}
499
500 @article{Gao00,
501 Author = {Gao, G. T. and Zeng, X. C.},
502 Date-Added = {2014-12-04 18:17:33 +0000},
503 Date-Modified = {2014-12-04 18:19:06 +0000},
504 Journal = {J. Chem. Phys.},
505 Keywords = {TIP4P, melting point},
506 Pages = {8534},
507 Title = {The melting temperature of proton-disordered hexagonal ice: A computer simulation of 4-site transferable intermolecular potential model of water},
508 Volume = {112},
509 Year = {2000}}
510
511 @article{Abascal05b,
512 Author = {Abascal, J. L. F. and Sanz, E. and Garcia Fernandec, R. and Vega, C.},
513 Date-Added = {2014-12-04 17:33:13 +0000},
514 Date-Modified = {2014-12-04 17:34:28 +0000},
515 Journal = {J. Chem. Phys.},
516 Keywords = {TIP4P/Ice, water model, ice model},
517 Pages = {234511},
518 Title = {A potential model for the study of ices and amorphous water: TIP4P/Ice},
519 Volume = {122},
520 Year = {2005}}
521
522 @article{Abascal05,
523 Author = {Abascal, J. L. F. and Vega, C.},
524 Date-Added = {2014-12-04 17:31:39 +0000},
525 Date-Modified = {2014-12-04 17:32:47 +0000},
526 Journal = {J. Chem. Phys.},
527 Keywords = {TIP4P/2005, water model},
528 Pages = {234505},
529 Title = {A general purpose model for the condensed phases of water: TIP4P/2005},
530 Volume = {123},
531 Year = {2005}}
532
533 @article{Jorgensen85,
534 Author = {Jorgensen, W. L. and Madura, J. D.},
535 Date-Added = {2014-12-04 17:28:22 +0000},
536 Date-Modified = {2014-12-04 17:30:26 +0000},
537 Journal = {Mol. Phys.},
538 Pages = {1381-1392},
539 Title = {Temperature and size dependence for monte carlo simulations of TIP4P water},
540 Volume = {56},
541 Year = {1985}}
542
543 @article{Berendsen81,
544 Author = {Berendsen, H. J. C. and Postma, J. P. M and van Gunsteren, W. F. and Hermans, J.},
545 Date-Added = {2014-12-04 17:24:52 +0000},
546 Date-Modified = {2014-12-10 22:31:51 +0000},
547 Journal = {Intermolecular Forces},
548 Pages = {331},
549 Title = {Interaction models for water in relation to protein hydration},
550 Year = {1981}}
551
552 @article{Bell08,
553 Author = {Bell, Robin E.},
554 Date-Added = {2014-12-04 16:42:53 +0000},
555 Date-Modified = {2014-12-04 16:44:20 +0000},
556 Journal = {Nature Geoscience},
557 Keywords = {ice-water friction},
558 Pages = {297-304},
559 Title = {The role of subglacial water in ice-sheet mass balance},
560 Volume = {1},
561 Year = {2008}}
562
563 @article{Cuffey99,
564 Author = {Cuffey, K. M. and Conway, H. and Hallet, B. and Gades, A. M. and Raymond, C. F.},
565 Date-Added = {2014-12-04 16:22:37 +0000},
566 Date-Modified = {2014-12-04 16:40:21 +0000},
567 Journal = {Geophysical Research Letters},
568 Keywords = {ice-water friction},
569 Pages = {751-754},
570 Title = {Interfacial water in polar glaciers and glacier sliding at -17 C},
571 Volume = {26},
572 Year = {1999}}
573
574 @article{Lishman13,
575 Author = {Lishman, B. and Sammonds, P. R. and Feltham, D. L.},
576 Date-Added = {2014-12-04 15:49:46 +0000},
577 Date-Modified = {2014-12-04 22:46:37 +0000},
578 Journal = {Cold Regions Science and Technology},
579 Keywords = {ice-ice friction},
580 Pages = {9-13},
581 Title = {Critical slip and time dependence in sea ice friction},
582 Volume = {90-91},
583 Year = {2013}}
584
585 @article{Pritchard12,
586 Author = {Pritchard, R. S. and Knoke, G. S. and Echert, D. C. "Skip"},
587 Date-Added = {2014-12-04 15:42:01 +0000},
588 Date-Modified = {2014-12-04 15:44:47 +0000},
589 Journal = {Cold Regions Science and Technology},
590 Keywords = {ice-ice friction},
591 Pages = {8-16},
592 Title = {Sliding friction of sea ice blocks},
593 Volume = {76-77},
594 Year = {2012}}
595
596 @article{Sukhorukov13,
597 Author = {Sukhorukov, S. and Loset, S.},
598 Date-Added = {2014-12-04 15:39:43 +0000},
599 Date-Modified = {2014-12-04 15:41:18 +0000},
600 Journal = {Cold Regions Science and Technology},
601 Keywords = {ice-ice friction},
602 Pages = {1-12},
603 Title = {Friction of sea ice on sea ice},
604 Volume = {94},
605 Year = {2013}}
606
607 @article{Casassa91,
608 Author = {Casassa, G. and Narita, H. and Maeno, N.},
609 Date-Added = {2014-12-04 15:36:55 +0000},
610 Date-Modified = {2014-12-04 15:39:02 +0000},
611 Journal = {J. Appl. Phys.},
612 Keywords = {ice-ice friction},
613 Number = {6},
614 Pages = {3745},
615 Title = {Shear cell experiments of snow and ice friction},
616 Volume = {69},
617 Year = {1991}}
618
619 @article{Golding10,
620 Author = {N. Golding, E. M. Schulson, C. E. Renshaw},
621 Date-Added = {2014-12-04 15:28:06 +0000},
622 Date-Modified = {2014-12-04 15:29:04 +0000},
623 Journal = {Acta Materialia},
624 Pages = {5043-5056},
625 Title = {Shear faulting and localized heating in ice: The influence of confinement},
626 Volume = {58},
627 Year = {2010}}
628
629 @article{Samadashvili13,
630 Annote = {Molecular dynamics simulations of ice Ih where two blocks of ice are compressed against on another with a load at varying temperatures and sheared past one another. This study was conducted at multiple loads and multiple temperatures to determine the behavior of the coefficient of friction, as well as with several water models including the SPC, TIP4P, TIP4P/2005, and TIP4P/Ice.},
631 Author = {N. Samadashvili and B. Reischl and T. Hynninen and T. Ala-Nissila and A. S. Foster},
632 Date-Added = {2014-12-04 14:55:07 +0000},
633 Date-Modified = {2014-12-05 19:29:39 +0000},
634 Journal = {Friction},
635 Keywords = {ice friction},
636 Pages = {242-251},
637 Title = {Atomistic simulations of friction at an ice-ice interface},
638 Volume = {1},
639 Year = {2013}}
640
641 @article{Sanz04,
642 Annote = {Using the MC (and Rahman-Parrinello-type MC), and Gibbs-Duhem, the phase diagram for the TIP4P water model is generated. Ices (I, II, III, V, VI, and VII) are found to be stable, while ices (IV, IX) are found to be metastable. Ice I melting point at p=1bar to be Tm = 232(5)K. TIP5P ice I melting point found to be Tm=274(5)K. },
643 Author = {E. Sanz and C. Vega and J. L. F. Abascal and L. G. MacDowell},
644 Date-Added = {2014-11-25 17:32:43 +0000},
645 Date-Modified = {2014-12-05 19:30:08 +0000},
646 Journal = {J. Chem. Phys.},
647 Keywords = {Ice, phase diagram, TIP4P, TIP5P},
648 Number = {2},
649 Pages = {1165},
650 Title = {Tracing the phase diagram of the gour-site water potential (TIP4P)},
651 Volume = {121},
652 Year = {2004}}
653
654 @article{Zhang14,
655 Annote = {Investigated the effect of surface roughness of a LJ surface on rate of ice nucleation using mW water model. Nucleation found to be promoted if surface roughness if the characteristic length of the surface matches well with ice crystal. Surface "roughness" was a pillared surface, similar to Cassie-Wenzel transition surfaces.},
656 Author = {Xiang-Xiong, Min Chen, Ming Fu},
657 Date-Added = {2014-11-21 19:45:57 +0000},
658 Date-Modified = {2014-11-21 19:49:05 +0000},
659 Journal = {J. Chem. Phys.},
660 Pages = {124709},
661 Title = {Impact of surface nanostructure on ice nucleation},
662 Volume = {141},
663 Year = {2014}}
664
665 @article{Conde08,
666 Annote = {MD simulations of ice Ih / vaccum interfaces with the SPC/E, TIP4P, TIP4P/Ice, and Tip4P/2005 water models. Used tetrahedrality as measurement of liquid layer thickness. },
667 Author = {M. M. Conde, C. Vega, A. Patrykiejew},
668 Date-Added = {2014-11-21 19:16:18 +0000},
669 Date-Modified = {2014-12-04 22:38:15 +0000},
670 Journal = {J. Chem. Phys.},
671 Keywords = {QLL},
672 Pages = {014702-1},
673 Title = {The thickness of a liquid layer on the free surface of ice as obtained from computer simulation},
674 Volume = {129},
675 Year = {2008}}
676
677 @article{Limmer14,
678 Author = {David T. Limmer and David Chandler},
679 Date-Added = {2014-11-19 19:31:03 +0000},
680 Date-Modified = {2014-12-04 22:47:00 +0000},
681 Journal = {J. Chem. Phys.},
682 Keywords = {QLL, mW model},
683 Pages = {18C505-1},
684 Title = {Premelting, fluctuations, and coarse-graining of water-ice interface},
685 Volume = {141},
686 Year = {2014}}
687
688 @article{Louden13,
689 Author = {Louden, Patrick B. and Gezelter, J. Daniel},
690 Date-Added = {2014-06-24 14:10:37 +0000},
691 Date-Modified = {2014-06-24 14:10:53 +0000},
692 Doi = {http://dx.doi.org/10.1063/1.4832378},
693 Eid = 194710,
694 Journal = {The Journal of Chemical Physics},
695 Number = {19},
696 Pages = {-},
697 Title = {Simulations of solid-liquid friction at ice-Ih/water interfaces},
698 Url = {http://scitation.aip.org/content/aip/journal/jcp/139/19/10.1063/1.4832378},
699 Volume = {139},
700 Year = {2013},
701 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/139/19/10.1063/1.4832378},
702 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4832378}}
703
704 @article{Beaglehole93,
705 Author = {Beaglehole, D. and Wilson, P.},
706 Date-Added = {2013-09-10 14:24:51 +0000},
707 Date-Modified = {2013-09-10 14:24:58 +0000},
708 Doi = {10.1021/j100144a025},
709 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100144a025},
710 Journal = {The Journal of Physical Chemistry},
711 Number = {42},
712 Pages = {11053-11055},
713 Title = {Thickness and anisotropy of the ice-water interface},
714 Url = {http://pubs.acs.org/doi/abs/10.1021/j100144a025},
715 Volume = {97},
716 Year = {1993},
717 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100144a025},
718 Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100144a025}}
719
720 @article{Bryk02,
721 Author = {Taras Bryk and A. D. J. Haymet},
722 Date-Added = {2013-09-10 14:23:32 +0000},
723 Date-Modified = {2013-09-10 14:23:42 +0000},
724 Doi = {10.1063/1.1519538},
725 Journal = {The Journal of Chemical Physics},
726 Keywords = {liquid structure; molecular dynamics method; water; ice; interface structure},
727 Number = {22},
728 Pages = {10258-10268},
729 Publisher = {AIP},
730 Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
731 Url = {http://link.aip.org/link/?JCP/117/10258/1},
732 Volume = {117},
733 Year = {2002},
734 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/117/10258/1},
735 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1519538}}
736
737 @article{Gay02,
738 Author = {S. C. Gay and E. J. Smith and A. D. J. Haymet},
739 Date-Added = {2013-09-10 14:22:50 +0000},
740 Date-Modified = {2013-09-10 14:22:54 +0000},
741 Doi = {10.1063/1.1471556},
742 Journal = {The Journal of Chemical Physics},
743 Keywords = {ice; melting; molecular dynamics method; crystal structure; digital simulation},
744 Number = {20},
745 Pages = {8876-8880},
746 Publisher = {AIP},
747 Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
748 Url = {http://link.aip.org/link/?JCP/116/8876/1},
749 Volume = {116},
750 Year = {2002},
751 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/116/8876/1},
752 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1471556}}
753
754 @article{Duman:2001qy,
755 Author = {Duman, John G},
756 Date-Added = {2013-09-10 14:21:59 +0000},
757 Date-Modified = {2013-09-10 14:22:07 +0000},
758 Doi = {10.1146/annurev.physiol.63.1.327},
759 Eprint = {http://www.annualreviews.org/doi/pdf/10.1146/annurev.physiol.63.1.327},
760 Journal = {Annual Review of Physiology},
761 Note = {PMID: 11181959},
762 Number = {1},
763 Pages = {327-357},
764 Title = {ANTIFREEZE AND ICE NUCLEATOR PROTEINS IN TERRESTRIAL ARTHROPODS},
765 Url = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physiol.63.1.327},
766 Volume = {63},
767 Year = {2001},
768 Bdsk-Url-1 = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physiol.63.1.327},
769 Bdsk-Url-2 = {http://dx.doi.org/10.1146/annurev.physiol.63.1.327}}
770
771 @article{Chapsky97,
772 Author = {Chapsky, Lars and Rubinsky, Boris},
773 Date = {1997/07/21},
774 Date-Added = {2013-09-10 14:21:02 +0000},
775 Date-Modified = {2013-09-10 14:21:09 +0000},
776 Id = {S0014-5793(97)00787-4},
777 Isbn = {0014-5793},
778 Journal = {FEBS letters},
779 Journal1 = {FEBS letters},
780 Journal2 = {FEBS Lett},
781 Keywords = {Antifreeze proteins; Protein adsorption; Temperature gradient thermometry; Ice},
782 Month = {07},
783 Number = {1},
784 Pages = {241--244},
785 Publisher = {Elsevier Science B.V.},
786 Title = {Kinetics of antifreeze protein-induced ice growth inhibition},
787 Ty = {ABST},
788 Url = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true},
789 Volume = {412},
790 Year = {1997},
791 Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true}}
792
793 @article{Weber83,
794 Annote = {doi: 10.1021/j100244a057},
795 Author = {Weber, Thomas A. and Stillinger, Frank H.},
796 Booktitle = {The Journal of Physical Chemistry},
797 Da = {1983/10/01},
798 Date = {1983/10/01},
799 Date-Added = {2013-09-10 14:20:08 +0000},
800 Date-Modified = {2013-09-10 14:20:17 +0000},
801 Doi = {10.1021/j100244a057},
802 Isbn = {0022-3654},
803 Journal = {The Journal of Physical Chemistry},
804 Journal1 = {J. Phys. Chem.},
805 M3 = {doi: 10.1021/j100244a057},
806 Month = {2013/09/10},
807 Number = {21},
808 Pages = {4277--4281},
809 Publisher = {American Chemical Society},
810 Title = {Molecular dynamics study of ice crystallite melting},
811 Ty = {JOUR},
812 Url = {http://dx.doi.org/10.1021/j100244a057},
813 Volume = {87},
814 Year = {1983},
815 Year1 = {1983},
816 Bdsk-Url-1 = {http://dx.doi.org/10.1021/j100244a057}}
817
818 @article{Han92,
819 Author = {Han, K. and Hale, B. N.},
820 Date-Added = {2013-09-10 14:19:03 +0000},
821 Date-Modified = {2013-09-10 14:19:07 +0000},
822 Doi = {10.1103/PhysRevB.45.29},
823 Issue = {1},
824 Journal = {Phys. Rev. B},
825 Month = {Jan},
826 Pages = {29--35},
827 Publisher = {American Physical Society},
828 Title = {Monte Carlo study of a simple model bulk-ice-Ih system: \textit{P} - \textit{T} melting behavior at constant volume},
829 Url = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
830 Volume = {45},
831 Year = {1992},
832 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
833 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.45.29}}
834
835 @article{Hayward02,
836 Abstract = {Orientational order parameters for four crystallographically distinct ice/water interfaces are defined and measured in molecular dynamics computer simulations of the CF1 central force model of water. We find that all interfaces are broad{,} with consistently different orientational structures found among the four interfaces. We also define and measure a local order parameter in the interfaces related to oxygen-oxygen coordination number{,} and show that this measure of the interfacial width is extremely broad. Combining recent results for the translational order parameters{,} average density order parameters and diffusion coefficient order parameters{,} for this model of water{,} coupled with other simulations of rigid models of water{,} a clear picture of the structure of the ice/water interface emerges. This also reveals a possible explanation for the differential accumulation of certain solutes at the ice/water interface.},
837 Author = {Hayward, Jennifer A. and Haymet, A. D. J.},
838 Date-Added = {2013-09-10 14:18:04 +0000},
839 Date-Modified = {2013-09-10 14:18:11 +0000},
840 Doi = {10.1039/B202039D},
841 Issue = {15},
842 Journal = {Phys. Chem. Chem. Phys.},
843 Pages = {3712-3719},
844 Publisher = {The Royal Society of Chemistry},
845 Title = {The ice/water interface: orientational order parameters for the basal{,} prism{,} {20[2 with combining macron]1}{,} and {2[1 with combining macron][1 with combining macron]0} interfaces of ice Ih},
846 Url = {http://dx.doi.org/10.1039/B202039D},
847 Volume = {4},
848 Year = {2002},
849 Bdsk-Url-1 = {http://dx.doi.org/10.1039/B202039D}}
850
851 @article{Nada95,
852 Author = {Hiroki Nada and Yoshinori Furukawa},
853 Date-Added = {2013-09-10 14:16:57 +0000},
854 Date-Modified = {2013-09-10 14:17:03 +0000},
855 Doi = {10.1143/JJAP.34.583},
856 Journal = {Japanese Journal of Applied Physics},
857 Number = {Part 1, No. 2A},
858 Numpages = {5},
859 Pages = {583-588},
860 Publisher = {The Japan Society of Applied Physics},
861 Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
862 Url = {http://jjap.jsap.jp/link?JJAP/34/583/},
863 Volume = {34},
864 Year = {1995},
865 Bdsk-Url-1 = {http://jjap.jsap.jp/link?JJAP/34/583/},
866 Bdsk-Url-2 = {http://dx.doi.org/10.1143/JJAP.34.583}}
867
868 @article{Nada12,
869 Author = {Nada, Hiroki and Furukawa, Yoshinori},
870 Date = {2012/07//print},
871 Date-Added = {2013-09-10 14:15:54 +0000},
872 Date-Modified = {2013-09-10 14:16:01 +0000},
873 Isbn = {0032-3896},
874 Journal = {Polym J},
875 Month = {07},
876 Number = {7},
877 Pages = {690--698},
878 Publisher = {The Society of Polymer Science, Japan},
879 Title = {Antifreeze proteins: computer simulation studies on the mechanism of ice growth inhibition},
880 Ty = {JOUR},
881 Url = {http://dx.doi.org/10.1038/pj.2012.13},
882 Volume = {44},
883 Year = {2012},
884 Bdsk-Url-1 = {http://dx.doi.org/10.1038/pj.2012.13}}
885
886 @article{Ewald,
887 Author = {Christopher J. Fennell and J. Daniel Gezelter},
888 Date-Added = {2013-09-10 14:14:59 +0000},
889 Date-Modified = {2013-09-10 14:15:03 +0000},
890 Doi = {10.1063/1.2206581},
891 Eid = {234104},
892 Journal = {The Journal of Chemical Physics},
893 Keywords = {Lennard-Jones potential; liquid theory; molecular dynamics method},
894 Number = {23},
895 Numpages = {12},
896 Pages = {234104},
897 Publisher = {AIP},
898 Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
899 Url = {http://link.aip.org/link/?JCP/124/234104/1},
900 Volume = {124},
901 Year = {2006},
902 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/124/234104/1},
903 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2206581}}
904
905 @article{Laage08,
906 Author = {Laage, Damien and Hynes, James T.},
907 Date-Added = {2013-09-10 13:29:18 +0000},
908 Date-Modified = {2013-09-10 13:29:25 +0000},
909 Doi = {10.1021/jp805217u},
910 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp805217u},
911 Journal = {The Journal of Physical Chemistry B},
912 Note = {PMID: 18942871},
913 Number = {45},
914 Pages = {14230-14242},
915 Title = {On the Molecular Mechanism of Water Reorientation},
916 Url = {http://pubs.acs.org/doi/abs/10.1021/jp805217u},
917 Volume = {112},
918 Year = {2008},
919 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp805217u},
920 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp805217u}}
921
922 @article{Kumar09,
923 Abstract = {We introduce the space-dependent correlation function C Q(r) and time-dependent autocorrelation function C Q(t) of the local tetrahedral order parameter Q ≡ Q(r,t). By using computer simulations of 512 waterlike particles interacting through the transferable interaction potential with five points (TIP5 potential), we investigate C Q(r) in a broad region of the phase diagram. We find that at low temperatures C Q(t) exhibits a two-step time-dependent decay similar to the self-intermediate scattering function and that the corresponding correlation time τQ displays a dynamic cross-over from non-Arrhenius behavior for T > T W to Arrhenius behavior for T < T W, where T W denotes the Widom temperature where the correlation length has a maximum as T is decreased along a constant-pressure path. We define a tetrahedral entropy S Q associated with the local tetrahedral order of water molecules and find that it produces a major contribution to the specific heat maximum at the Widom line. Finally, we show that τQ can be extracted from S Q by using an analog of the Adam--Gibbs relation.},
924 Author = {Kumar, Pradeep and Buldyrev, Sergey V. and Stanley, H. Eugene},
925 Date-Added = {2013-09-10 13:27:51 +0000},
926 Date-Modified = {2013-09-10 13:27:58 +0000},
927 Doi = {10.1073/pnas.0911094106},
928 Eprint = {http://www.pnas.org/content/106/52/22130.full.pdf+html},
929 Journal = {Proceedings of the National Academy of Sciences},
930 Number = {52},
931 Pages = {22130-22134},
932 Title = {A tetrahedral entropy for water},
933 Url = {http://www.pnas.org/content/106/52/22130.abstract},
934 Volume = {106},
935 Year = {2009},
936 Bdsk-Url-1 = {http://www.pnas.org/content/106/52/22130.abstract},
937 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0911094106}}
938
939 @article{Furse08,
940 Author = {Furse, Kristina E. and Corcelli, Steven A.},
941 Date-Added = {2013-09-10 13:25:57 +0000},
942 Date-Modified = {2013-09-10 13:26:03 +0000},
943 Doi = {10.1021/ja803728g},
944 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja803728g},
945 Journal = {Journal of the American Chemical Society},
946 Note = {PMID: 18767841},
947 Number = {39},
948 Pages = {13103-13109},
949 Title = {The Dynamics of Water at DNA Interfaces: Computational Studies of Hoechst 33258 Bound to DNA},
950 Url = {http://pubs.acs.org/doi/abs/10.1021/ja803728g},
951 Volume = {130},
952 Year = {2008},
953 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja803728g},
954 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja803728g}}
955
956 @article{Pit99,
957 Author = {Pit, Remmelt and Hervet, Hubert and L{\'e}ger, Liliane},
958 Date-Added = {2013-09-09 22:18:25 +0000},
959 Date-Modified = {2013-09-09 22:18:35 +0000},
960 Doi = {10.1023/A:1019161101812},
961 Issn = {1023-8883},
962 Journal = {Tribology Letters},
963 Keywords = {slip; lubrication; friction; lyophobic; liquid--solid interface},
964 Language = {English},
965 Number = {2-3},
966 Pages = {147-152},
967 Publisher = {Kluwer Academic Publishers-Plenum Publishers},
968 Title = {Friction and slip of a simple liquid at a solid surface},
969 Url = {http://dx.doi.org/10.1023/A%3A1019161101812},
970 Volume = {7},
971 Year = {1999},
972 Bdsk-Url-1 = {http://dx.doi.org/10.1023/A%3A1019161101812},
973 Bdsk-Url-2 = {http://dx.doi.org/10.1023/A:1019161101812}}
974
975 @article{Berendsen87,
976 Author = {Berendsen, H. J. C. and Grigera, J. R. and Straatsma, T. P.},
977 Date-Added = {2013-09-09 22:17:15 +0000},
978 Date-Modified = {2013-09-09 22:17:24 +0000},
979 Doi = {10.1021/j100308a038},
980 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100308a038},
981 Journal = {The Journal of Physical Chemistry},
982 Number = {24},
983 Pages = {6269-6271},
984 Title = {The missing term in effective pair potentials},
985 Url = {http://pubs.acs.org/doi/abs/10.1021/j100308a038},
986 Volume = {91},
987 Year = {1987},
988 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100308a038},
989 Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100308a038}}
990
991 @article{Wilson10,
992 Author = {Wilson, P. W. and Haymet, A. D. J.},
993 Date-Added = {2013-09-09 22:15:46 +0000},
994 Date-Modified = {2013-09-09 22:16:06 +0000},
995 Doi = {10.1021/jp105001c},
996 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp105001c},
997 Journal = {The Journal of Physical Chemistry B},
998 Number = {39},
999 Pages = {12585-12588},
1000 Title = {Effect of Ice Growth Rate on the Measured Workman - Reynolds Freezing Potential between Ice and Dilute NaCl Solutions},
1001 Url = {http://pubs.acs.org/doi/abs/10.1021/jp105001c},
1002 Volume = {114},
1003 Year = {2010},
1004 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp105001c},
1005 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp105001c}}
1006
1007 @article{Karim88,
1008 Author = {Omar A. Karim and A. D. J. Haymet},
1009 Date-Added = {2013-09-09 22:12:57 +0000},
1010 Date-Modified = {2013-09-09 22:13:11 +0000},
1011 Doi = {10.1063/1.455363},
1012 Journal = {The Journal of Chemical Physics},
1013 Keywords = {ICE; WATER; INTERFACE STRUCTURE; MOLECULAR DYNAMICS CALCULATIONS; CORRELATION FUNCTIONS},
1014 Number = {11},
1015 Pages = {6889-6896},
1016 Publisher = {AIP},
1017 Title = {The ice/water interface: A molecular dynamics simulation study},
1018 Url = {http://link.aip.org/link/?JCP/89/6889/1},
1019 Volume = {89},
1020 Year = {1988},
1021 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/89/6889/1},
1022 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.455363}}
1023
1024 @article{Hayward01,
1025 Author = {Jennifer A. Hayward and A. D. J. Haymet},
1026 Date-Added = {2013-09-09 22:11:25 +0000},
1027 Date-Modified = {2013-09-09 22:11:33 +0000},
1028 Doi = {10.1063/1.1333680},
1029 Journal = {The Journal of Chemical Physics},
1030 Keywords = {ice; water; molecular dynamics method; interface phenomena; density; diffusion},
1031 Number = {8},
1032 Pages = {3713-3726},
1033 Publisher = {AIP},
1034 Title = {The ice/water interface: Molecular dynamics simulations of the basal, prism, {202-bar 1}, and {21-bar 1-bar 0} interfaces of ice Ih},
1035 Url = {http://link.aip.org/link/?JCP/114/3713/1},
1036 Volume = {114},
1037 Year = {2001},
1038 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/114/3713/1},
1039 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1333680}}
1040
1041 @article{Karim90,
1042 Author = {Omar A. Karim and Paul A. Kay and A. D. J. Haymet},
1043 Date-Added = {2013-09-09 22:10:33 +0000},
1044 Date-Modified = {2013-09-09 22:10:40 +0000},
1045 Doi = {10.1063/1.457730},
1046 Journal = {The Journal of Chemical Physics},
1047 Keywords = {ICE; WATER; INTERFACES; COMPUTERIZED SIMULATION; MOLECULAR DYNAMICS CALCULATIONS; INTERFACE STRUCTURE; SURFACE PROPERTIES; MOLECULAR ORIENTATION; DIFFUSION; DENSITY},
1048 Number = {7},
1049 Pages = {4634-4635},
1050 Publisher = {AIP},
1051 Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
1052 Url = {http://link.aip.org/link/?JCP/92/4634/1},
1053 Volume = {92},
1054 Year = {1990},
1055 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/92/4634/1},
1056 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.457730}}
1057
1058 @article{Hirsch04,
1059 Author = {Hirsch, Tomas K. and Ojam{\"a}e, Lars},
1060 Date-Added = {2013-09-09 18:46:26 +0000},
1061 Date-Modified = {2013-09-09 18:47:19 +0000},
1062 Doi = {10.1021/jp048434u},
1063 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp048434u},
1064 Journal = {The Journal of Physical Chemistry B},
1065 Number = {40},
1066 Pages = {15856-15864},
1067 Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
1068 Url = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
1069 Volume = {108},
1070 Year = {2004},
1071 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
1072 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp048434u}}
1073
1074 @article{Laage11,
1075 Author = {Laage, Damien and Stirnemann, Guillaume and Sterpone, Fabio and Rey, Rossend and Hynes, James T.},
1076 Date-Added = {2013-09-09 18:43:55 +0000},
1077 Date-Modified = {2013-09-09 18:44:03 +0000},
1078 Doi = {10.1146/annurev.physchem.012809.103503},
1079 Eprint = {http://www.annualreviews.org/doi/pdf/10.1146/annurev.physchem.012809.103503},
1080 Journal = {Annual Review of Physical Chemistry},
1081 Note = {PMID: 21219140},
1082 Number = {1},
1083 Pages = {395-416},
1084 Title = {Reorientation and Allied Dynamics in Water and Aqueous Solutions},
1085 Url = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
1086 Volume = {62},
1087 Year = {2011},
1088 Bdsk-Url-1 = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
1089 Bdsk-Url-2 = {http://dx.doi.org/10.1146/annurev.physchem.012809.103503}}
1090
1091 @article{PhysRevLett.70.2726,
1092 Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
1093 Date-Added = {2013-09-09 17:57:57 +0000},
1094 Date-Modified = {2013-09-09 17:57:57 +0000},
1095 Doi = {10.1103/PhysRevLett.70.2726},
1096 Issue = {18},
1097 Journal = {Phys. Rev. Lett.},
1098 Month = {May},
1099 Pages = {2726--2729},
1100 Publisher = {American Physical Society},
1101 Title = {Hydrodynamic boundary conditions and correlation functions of confined fluids},
1102 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
1103 Volume = {70},
1104 Year = {1993},
1105 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
1106 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.70.2726}}
1107
1108 @article{PhysRevE.49.3079,
1109 Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
1110 Date-Added = {2013-09-09 17:57:29 +0000},
1111 Date-Modified = {2013-09-09 17:57:29 +0000},
1112 Doi = {10.1103/PhysRevE.49.3079},
1113 Issue = {4},
1114 Journal = {Phys. Rev. E},
1115 Month = {Apr},
1116 Pages = {3079--3092},
1117 Publisher = {American Physical Society},
1118 Title = {Hydrodynamic boundary conditions, correlation functions, and Kubo relations for confined fluids},
1119 Url = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
1120 Volume = {49},
1121 Year = {1994},
1122 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
1123 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.49.3079}}
1124
1125 @article{Mundy1997305,
1126 Author = {Christopher J. Mundy and Sundaram Balasubramanian and Michael L. Klein},
1127 Date-Added = {2013-09-09 17:02:36 +0000},
1128 Date-Modified = {2013-09-09 18:38:42 +0000},
1129 Doi = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4},
1130 Issn = {0378-4371},
1131 Journal = {Physica A: Statistical Mechanics and its Applications},
1132 Number = {1--2},
1133 Pages = {305 - 314},
1134 Title = {Computation of the hydrodynamic boundary parameters of a confined fluid via non-equilibrium molecular dynamics},
1135 Url = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
1136 Volume = {240},
1137 Year = {1997},
1138 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
1139 Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4}}
1140
1141 @article{Bresme08,
1142 Author = {Bresme, Fernando and Lervik, Anders and Bedeaux, Dick and Kjelstrup, Signe},
1143 Date-Added = {2013-09-09 13:16:41 +0000},
1144 Date-Modified = {2013-09-09 13:16:47 +0000},
1145 Doi = {10.1103/PhysRevLett.101.020602},
1146 Issue = {2},
1147 Journal = {Phys. Rev. Lett.},
1148 Month = {Jul},
1149 Numpages = {4},
1150 Pages = {020602},
1151 Publisher = {American Physical Society},
1152 Title = {Water Polarization under Thermal Gradients},
1153 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
1154 Volume = {101},
1155 Year = {2008},
1156 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
1157 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.101.020602}}
1158
1159 @article{Nada03,
1160 Author = {Hiroki Nada and Jan P. J. M. van der Eerden},
1161 Date-Added = {2013-09-09 13:15:08 +0000},
1162 Date-Modified = {2013-09-09 13:15:17 +0000},
1163 Doi = {10.1063/1.1562610},
1164 Journal = {The Journal of Chemical Physics},
1165 Keywords = {potential energy functions; ice; water; melting point; Monte Carlo methods; thermodynamic properties; liquid structure},
1166 Number = {16},
1167 Pages = {7401-7413},
1168 Publisher = {AIP},
1169 Title = {An intermolecular potential model for the simulation of ice and water near the melting point: A six-site model of H[sub 2]O},
1170 Url = {http://link.aip.org/link/?JCP/118/7401/1},
1171 Volume = {118},
1172 Year = {2003},
1173 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/118/7401/1},
1174 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1562610}}
1175
1176 @article{Wierzbicki07,
1177 Author = {Wierzbicki, Andrzej and Dalal, Pranav and Cheatham, Thomas E. and Knickelbein, Jared E. and Haymet, A. D. J. and Madura, Jeffry D.},
1178 Date = {2007/09/01},
1179 Date-Added = {2013-09-09 13:13:07 +0000},
1180 Date-Modified = {2013-09-09 13:13:15 +0000},
1181 Id = {S0006-3495(07)71405-4 DOI - 10.1529/biophysj.107.105189},
1182 Isbn = {0006-3495},
1183 Journal = {Biophysical journal},
1184 Journal1 = {Biophysical journal},
1185 Journal2 = {Biophys J},
1186 Month = {09},
1187 Number = {5},
1188 Pages = {1442--1451},
1189 Publisher = {Cell Press},
1190 Title = {Antifreeze Proteins at the Ice/Water Interface: Three Calculated Discriminating Properties for Orientation of Type I Proteins},
1191 Ty = {ABST},
1192 Url = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054},
1193 Volume = {93},
1194 Year = {2007},
1195 Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054}}
1196
1197 @article{OOPSE,
1198 Author = {Meineke, Matthew A. and Vardeman, Charles F. and Lin, Teng and Fennell, Christopher J. and Gezelter, J. Daniel},
1199 Date-Added = {2013-09-03 20:42:45 +0000},
1200 Date-Modified = {2013-09-03 20:42:45 +0000},
1201 Doi = {10.1002/jcc.20161},
1202 Issn = {1096-987X},
1203 Journal = {Journal of Computational Chemistry},
1204 Keywords = {OOPSE, molecular dynamics},
1205 Number = {3},
1206 Pages = {252--271},
1207 Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
1208 Title = {OOPSE: An object-oriented parallel simulation engine for molecular dynamics},
1209 Url = {http://dx.doi.org/10.1002/jcc.20161},
1210 Volume = {26},
1211 Year = {2005},
1212 Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20161}}
1213
1214 @misc{openmd,
1215 Author = {J. Daniel Gezelter and Joseph Michalka and Shenyu Kuang and James Marr and Kelsey Stocker and Chunlei Li and Charles F. Vardeman and Teng Lin and Christopher J. Fennell and Xiuquan Sun and Kyle Daily and Yang Zheng and Matthew A. Meineke},
1216 Date-Added = {2013-09-03 20:42:37 +0000},
1217 Date-Modified = {2013-09-03 20:42:37 +0000},
1218 Howpublished = {Available at {\tt http://openmd.org}},
1219 Title = {{OpenMD, an Open Source Engine for Molecular Dynamics}}}
1220
1221 @article{Buch:2008fk,
1222 Abstract = {The physics of the ice crystal surface and its interaction with adsorbates are not only of fundamental interest but also of considerable importance to terrestrial and planetary chemistry. Yet the atomic-level structure of even the pristine ice surface at low temperature is still far from well understood. This computational study focuses on the pattern of dangling H and dangling O (lone pairs) atoms at the basal ice surface. Dangling atoms serve as binding sites for adsorbates capable of hydrogen- and electrostatic bonding. Extension of the well known orientational disorder (``proton disorder'') of bulk crystal ice to the surface would naturally suggest a disordered dangling atom pattern; however, extensive computer simulations employing two different empirical potentials indicate significant free energy preference for a striped phase with alternating rows of dangling H and dangling O atoms, as suggested long ago by Fletcher [Fletcher NH (1992) Philos Mag 66:109--115]. The presence of striped phase domains within the basal surface is consistent with the hitherto unexplained minor fractional peaks in the helium diffraction pattern observed 10 years ago. Compared with the disordered model, the striped model yields improved agreement between computations and experimental ppp-polarized sum frequency generation spectra.},
1223 Author = {Buch, V. and Groenzin, H. and Li, I. and Shultz, M. J. and Tosatti, E.},
1224 Date-Added = {2013-09-03 20:15:03 +0000},
1225 Date-Modified = {2013-09-03 20:15:11 +0000},
1226 Doi = {10.1073/pnas.0710129105},
1227 Eprint = {http://www.pnas.org/content/105/16/5969.full.pdf+html},
1228 Journal = {Proceedings of the National Academy of Sciences},
1229 Number = {16},
1230 Pages = {5969-5974},
1231 Title = {Proton order in the ice crystal surface},
1232 Url = {http://www.pnas.org/content/105/16/5969.abstract},
1233 Volume = {105},
1234 Year = {2008},
1235 Bdsk-Url-1 = {http://www.pnas.org/content/105/16/5969.abstract},
1236 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0710129105}}
1237
1238 @article{Wilson08,
1239 Author = {Wilson, P. W. and Haymet, A. D. J.},
1240 Date-Added = {2013-09-03 20:09:39 +0000},
1241 Date-Modified = {2013-09-09 22:14:12 +0000},
1242 Doi = {10.1021/jp804047x},
1243 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp804047x},
1244 Journal = {The Journal of Physical Chemistry B},
1245 Note = {PMID: 18720967},
1246 Number = {37},
1247 Pages = {11750-11755},
1248 Title = {Workman - Reynolds Freezing Potential Measurements between Ice and Dilute Salt Solutions for Single Ice Crystal Faces},
1249 Url = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
1250 Volume = {112},
1251 Year = {2008},
1252 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
1253 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp804047x}}
1254
1255 @article{Smith05,
1256 Author = {E. J. Smith and T. Bryk and A. D. J. Haymet},
1257 Date-Added = {2013-09-03 20:03:24 +0000},
1258 Date-Modified = {2013-09-03 20:03:30 +0000},
1259 Doi = {10.1063/1.1953578},
1260 Eid = {034706},
1261 Journal = {The Journal of Chemical Physics},
1262 Keywords = {chlorine; sodium; ice; water; positive ions; negative ions; free energy; solvation; molecular dynamics method; interface phenomena; melting point},
1263 Number = {3},
1264 Numpages = {16},
1265 Pages = {034706},
1266 Publisher = {AIP},
1267 Title = {Free energy of solvation of simple ions: Molecular-dynamics study of solvation of Cl[sup -] and Na[sup +] in the ice/water interface},
1268 Url = {http://link.aip.org/link/?JCP/123/034706/1},
1269 Volume = {123},
1270 Year = {2005},
1271 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/123/034706/1},
1272 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1953578}}
1273
1274 @article{Sakai96,
1275 Author = {Hideki Sakai},
1276 Date-Added = {2013-09-03 20:01:26 +0000},
1277 Date-Modified = {2013-09-03 20:01:36 +0000},
1278 Doi = {http://dx.doi.org/10.1016/0039-6028(96)01033-3},
1279 Issn = {0039-6028},
1280 Journal = {Surface Science},
1281 Keywords = {Surface melting},
1282 Number = {3},
1283 Pages = {387 - 392},
1284 Title = {How does a slab-shaped solid melt?},
1285 Url = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
1286 Volume = {348},
1287 Year = {1996},
1288 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
1289 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(96)01033-3}}
1290
1291 @article{Sakai96B,
1292 Author = {Hideki Sakai},
1293 Date-Added = {2013-09-03 20:00:35 +0000},
1294 Date-Modified = {2013-09-03 20:01:43 +0000},
1295 Doi = {http://dx.doi.org/10.1016/0039-6028(95)01263-X},
1296 Issn = {0039-6028},
1297 Journal = {Surface Science},
1298 Keywords = {Surface melting},
1299 Number = {1--3},
1300 Pages = {285 - 291},
1301 Title = {Surface-induced melting of small particles},
1302 Url = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
1303 Volume = {351},
1304 Year = {1996},
1305 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
1306 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)01263-X}}
1307
1308 @article{Vanfleet95,
1309 Author = {Richard R. Vanfleet and J.M. Mochel},
1310 Date-Added = {2013-09-03 19:59:42 +0000},
1311 Date-Modified = {2013-09-03 19:59:51 +0000},
1312 Doi = {http://dx.doi.org/10.1016/0039-6028(95)00728-8},
1313 Issn = {0039-6028},
1314 Journal = {Surface Science},
1315 Keywords = {Wetting},
1316 Number = {1--2},
1317 Pages = {40 - 50},
1318 Title = {Thermodynamics of melting and freezing in small particles},
1319 Url = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
1320 Volume = {341},
1321 Year = {1995},
1322 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
1323 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)00728-8}}
1324
1325 @article{Granasy95,
1326 Author = {Granasy, Laszlo},
1327 Date-Added = {2013-09-03 19:58:11 +0000},
1328 Date-Modified = {2013-09-03 19:58:23 +0000},
1329 Doi = {10.1021/j100038a061},
1330 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100038a061},
1331 Journal = {The Journal of Physical Chemistry},
1332 Number = {38},
1333 Pages = {14182-14187},
1334 Title = {Diffuse Interface Analysis of Ice Nucleation in Undercooled Water},
1335 Url = {http://pubs.acs.org/doi/abs/10.1021/j100038a061},
1336 Volume = {99},
1337 Year = {1995},
1338 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100038a061},
1339 Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100038a061}}
1340
1341 @article{Meister29012013,
1342 Abstract = {Antifreeze proteins (AFPs) are specific proteins that are able to lower the freezing point of aqueous solutions relative to the melting point. Hyperactive AFPs, identified in insects, have an especially high ability to depress the freezing point by far exceeding the abilities of other AFPs. In previous studies, we postulated that the activity of AFPs can be attributed to two distinct molecular mechanisms: (i) short-range direct interaction of the protein surface with the growing ice face and (ii) long-range interaction by protein-induced water dynamics extending up to 20 {\AA} from the protein surface. In the present paper, we combine terahertz spectroscopy and molecular simulations to prove that long-range protein--water interactions make essential contributions to the high antifreeze activity of insect AFPs from the beetle Dendroides canadensis. We also support our hypothesis by studying the effect of the addition of the osmolyte sodium citrate.},
1343 Author = {Meister, Konrad and Ebbinghaus, Simon and Xu, Yao and Duman, John G. and DeVries, Arthur and Gruebele, Martin and Leitner, David M. and Havenith, Martina},
1344 Date-Added = {2013-09-03 19:22:18 +0000},
1345 Date-Modified = {2013-09-03 19:22:18 +0000},
1346 Doi = {10.1073/pnas.1214911110},
1347 Eprint = {http://www.pnas.org/content/110/5/1617.full.pdf+html},
1348 Journal = {Proceedings of the National Academy of Sciences},
1349 Number = {5},
1350 Pages = {1617-1622},
1351 Title = {Long-range protein--water dynamics in hyperactive insect antifreeze proteins},
1352 Url = {http://www.pnas.org/content/110/5/1617.abstract},
1353 Volume = {110},
1354 Year = {2013},
1355 Bdsk-Url-1 = {http://www.pnas.org/content/110/5/1617.abstract},
1356 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.1214911110}}
1357
1358 @article{Nada05,
1359 Author = {H. Nada and Y. Furukawa},
1360 Date-Added = {2013-08-30 00:03:37 +0000},
1361 Date-Modified = {2013-09-03 19:53:16 +0000},
1362 Journal = {Journal of Crystal Growth},
1363 Pages = {242-256},
1364 Title = {Anisotropy in growth kinetics at interfaces between proton-disordered hexagonal ice and water: A molecular dynamics study using the six-site model of \ce{H2O}},
1365 Volume = {283},
1366 Year = {2005}}
1367
1368 @article{Bryk04,
1369 Author = {T. Bryk and A. D. J. Haymet},
1370 Date-Added = {2013-07-15 18:33:15 +0000},
1371 Date-Modified = {2013-07-15 18:34:17 +0000},
1372 Journal = {Journal of Molecular Liquids},
1373 Pages = {47-50},
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1698 @article{Bryk04b,
1699 Abstract = {The density-temperature diagram for SPC/E water at one bar pressure is studied with correct treatment of long-range potentials. The density maximum was obtained at temperature 240 K. The melting temperature for ice Ih is estimated to be 225$\pm$5 K from the simulations of ice/water coexistence. A local order parameter for ice/water interface is discussed.},
1700 Author = {Bryk, Taras and Haymet, A.D.J.},
1701 Date-Modified = {2014-12-04 18:01:49 +0000},
1702 Doi = {doi:10.1080/0892702031000152172},
1703 Journal = {Molecular Simulation},
1704 Keyword = {Ice, Melting temperature, Phase diagram, Water},
1705 Number = {2-1},
1706 Pages = {131-135},
1707 Title = {The Ice/Water Interface: Density-Temperature Phase Diagram for the SPC/E Model of Liquid Water},
1708 Url = {http://www.ingentaconnect.com/content/tandf/gmos/2004/00000030/F0020002/art00009},
1709 Volume = {30},
1710 Year = {2004},
1711 Bdsk-Url-1 = {http://www.ingentaconnect.com/content/tandf/gmos/2004/00000030/F0020002/art00009},
1712 Bdsk-Url-2 = {http://dx.doi.org/10.1080/0892702031000152172}}