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1 %% This BibTeX bibliography file was created using BibDesk.
2 %% http://bibdesk.sourceforge.net/
3
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5 %% Created for Dan Gezelter at 2014-12-11 11:53:57 -0500
6
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8 %% Saved with string encoding Unicode (UTF-8)
9
10
11
12 @article{Fennell:2005fk,
13 Author = {Fennell, Christopher J. and Gezelter, J. Daniel},
14 Date-Added = {2014-12-11 16:43:07 +0000},
15 Date-Modified = {2014-12-11 16:43:07 +0000},
16 Doi = {10.1021/ct050005s},
17 Eprint = {http://dx.doi.org/10.1021/ct050005s},
18 Journal = {Journal of Chemical Theory and Computation},
19 Number = {4},
20 Pages = {662-667},
21 Title = {Computational Free Energy Studies of a New Ice Polymorph Which Exhibits Greater Stability than Ice Ih},
22 Url = {http://dx.doi.org/10.1021/ct050005s},
23 Volume = {1},
24 Year = {2005},
25 Bdsk-Url-1 = {http://dx.doi.org/10.1021/ct050005s}}
26
27 @article{Young05,
28 Author = {T. Young},
29 Date-Added = {2014-12-10 22:18:00 +0000},
30 Date-Modified = {2014-12-10 22:18:37 +0000},
31 Journal = {Phil. Trans. R. Soc. Lond.},
32 Pages = {65-87},
33 Title = {An Essay on the Cohesion of Fluids},
34 Volume = {95},
35 Year = {1805}}
36
37 @article{Koishi09,
38 Author = {Koishi, Takahiro and Yasuoka, Kenji and Fujikawa, Shigenori and Ebisuzaki, Toshikazu and Zeng, Xiao Cheng},
39 Date-Added = {2014-12-10 22:10:55 +0000},
40 Date-Modified = {2014-12-10 22:12:14 +0000},
41 Journal = {PNAS},
42 Keywords = {nano, contact angle, pillars, surface},
43 Pages = {8435-8440},
44 Title = {Coexistence and transition between Cassie and Wenzel state on pillared hydrophobic surface},
45 Volume = {106},
46 Year = {2009}}
47
48 @article{Molinero09,
49 Author = {Valeria Molinero and Emily B. Moore},
50 Date-Added = {2014-12-09 20:32:05 +0000},
51 Date-Modified = {2014-12-09 20:32:58 +0000},
52 Journal = {J. Phys. Chem. B.},
53 Keywords = {water model, mW model},
54 Pages = {4008-4016},
55 Title = {Water Modeled As an Intermediate Element between Carbon and Sillicon},
56 Volume = {113},
57 Year = {2009}}
58
59 @article{Garcia-Fernandez:2006pb,
60 Author = {Garc{\'\i}a Fern{\'a}ndez, Ram{\'o}n and Abascal, Jos{\'e} L. F. and Vega, Carlos},
61 Date-Added = {2014-12-09 19:23:55 +0000},
62 Date-Modified = {2014-12-09 19:23:55 +0000},
63 Doi = {http://dx.doi.org/10.1063/1.2183308},
64 Eid = 144506,
65 Journal = {The Journal of Chemical Physics},
66 Number = {14},
67 Pages = {-},
68 Title = {The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface},
69 Url = {http://scitation.aip.org/content/aip/journal/jcp/124/14/10.1063/1.2183308},
70 Volume = {124},
71 Year = {2006},
72 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/124/14/10.1063/1.2183308},
73 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2183308}}
74
75 @article{Hirvi06,
76 Author = {Janne T. Hirvi and Tapani A. Pakkanen},
77 Date-Added = {2014-12-08 21:57:42 +0000},
78 Date-Modified = {2014-12-08 21:59:15 +0000},
79 Journal = {J. Chem. Phys.},
80 Keywords = {contact angle},
81 Pages = {144712},
82 Title = {Molecular dynamics simulations of water droplets on polymer surfaces},
83 Volume = {125},
84 Year = {2006}}
85
86 @article{Hautman91,
87 Author = {Joseph Hautman and Michael L. Klein},
88 Date-Added = {2014-12-08 21:55:44 +0000},
89 Date-Modified = {2014-12-08 21:57:40 +0000},
90 Journal = {Phys. Rev. Lett.},
91 Keywords = {contact angle},
92 Number = {13},
93 Pages = {1763-1766},
94 Title = {Microscopic Wetting Phenomena},
95 Volume = {67},
96 Year = {1991}}
97
98 @article{Ruijter99,
99 Author = {M. J. de Ruijter and T. D. Blake and J. De Coninck},
100 Date-Added = {2014-12-08 19:46:25 +0000},
101 Date-Modified = {2014-12-08 19:47:33 +0000},
102 Journal = {Langmuir},
103 Keywords = {contact angle},
104 Pages = {7836-7847},
105 Title = {Dynamic Wetting Studied by Molecular Modeling Simulations of Droplet Spreading},
106 Volume = {15},
107 Year = {1999}}
108
109 @article{Ritchie12,
110 Author = {John A. Ritchie and Jamileh Seyed Yazdi and Dusan Bratko and Alenka Luzar},
111 Date-Added = {2014-12-05 19:20:33 +0000},
112 Date-Modified = {2014-12-05 19:21:36 +0000},
113 Journal = {J. Phys. Chem. C},
114 Keywords = {surface, contact angle, electrowetting},
115 Pages = {8634-8641},
116 Title = {Metastable Sessile Nanodroplets on Nanopatterned Surfaces},
117 Volume = {116},
118 Year = {2012}}
119
120 @article{Daub11,
121 Author = {Christopher D. Daub and Dusan Bratko and Alenka Luzar},
122 Date-Added = {2014-12-05 19:19:04 +0000},
123 Date-Modified = {2014-12-05 19:20:29 +0000},
124 Journal = {J. Phys. Chem. C},
125 Keywords = {surface, contact angle, electrowetting},
126 Pages = {22393-22399},
127 Title = {Electric control of wetting by salty nanodrops: molecular dynamics simulations},
128 Volume = {115},
129 Year = {2011}}
130
131 @article{Daub10,
132 Author = {Christopher D. Daub and Jihang Wang and Shobhit Kudesia and Dusan Bratko and Alenka Luzar},
133 Date-Added = {2014-12-05 19:17:45 +0000},
134 Date-Modified = {2014-12-05 19:19:00 +0000},
135 Journal = {Faraday Discussions},
136 Keywords = {contact angle, surface, electrowetting},
137 Pages = {67-77},
138 Title = {The influence of molecular-scale roughness on the surface spreading of an aqueous nanodrop},
139 Volume = {146},
140 Year = {2010}}
141
142 @article{Daub07,
143 Author = {Christopher D. Daub and Dusan Bratko and Kevin Leung and Alenka Luzar},
144 Date-Added = {2014-12-05 19:16:05 +0000},
145 Date-Modified = {2014-12-05 19:17:33 +0000},
146 Journal = {J. Phys. Chem. C. Lett.},
147 Keywords = {contact angle, surface, electrowetting},
148 Pages = {505-509},
149 Title = {Electrowetting at the Nanoscale},
150 Volume = {111},
151 Year = {2007}}
152
153 @article{Manukyan11,
154 Author = {G. Manukyan and J. M. Oh and D. van den Ende and R. G. H. Lammertink and F. Mugele},
155 Date-Added = {2014-12-05 19:06:11 +0000},
156 Date-Modified = {2014-12-05 19:08:49 +0000},
157 Journal = {Phys. Rev. Lett.},
158 Keywords = {experimental, surface, contact angle, electrowetting},
159 Pages = {014501},
160 Title = {Electric switching of wetting states on superhydrophobic surfaces: a route towards reversible Cassie-to-Wenzel transitions},
161 Volume = {106},
162 Year = {2011}}
163
164 @article{Dhindsa06,
165 Author = {M. S. Dhindsa and N. R. Smith and J. Heikenfeld},
166 Date-Added = {2014-12-05 18:08:22 +0000},
167 Date-Modified = {2014-12-05 18:09:22 +0000},
168 Journal = {Langmuir},
169 Keywords = {experimental, surface, contact angle, electrowetting},
170 Pages = {9030-9034},
171 Title = {Reversible electrowetting of vertically aligned superhydrophobic carbon nanofibers},
172 Volume = {22},
173 Year = {2006}}
174
175 @article{Herbertson06,
176 Author = {D. L. Herbertson and C. R. Evans and N. J. Shirtcliffe and G. McHale and M. I. Newton},
177 Date-Added = {2014-12-05 18:06:20 +0000},
178 Date-Modified = {2014-12-05 18:08:17 +0000},
179 Journal = {Sensors and Actuators A},
180 Keywords = {experimental, surface, contact angle, electrowetting},
181 Pages = {189-193},
182 Title = {Electrowetting on superhydrophobic SU-8 patterned surfaces},
183 Volume = {130-131},
184 Year = {2006}}
185
186 @article{Verplanck07,
187 Author = {N. Verplanck and E. Galopin and J.-C. Camart and V. Thomy},
188 Date-Added = {2014-12-05 18:04:34 +0000},
189 Date-Modified = {2014-12-05 18:06:11 +0000},
190 Journal = {Nano Letters},
191 Keywords = {experimental,surface, contact angle, electrowetting},
192 Number = {3},
193 Pages = {813-817},
194 Title = {Reversible electrowetting on superhydrophobic silicon nanowires},
195 Volume = {7},
196 Year = {2007}}
197
198 @article{Sun04,
199 Author = {T. Sun and G. Wang and L. Feng and B. Liu and Y. Ma and L. Jiang and D. Zhu},
200 Date-Added = {2014-12-05 18:01:24 +0000},
201 Date-Modified = {2014-12-05 18:03:03 +0000},
202 Journal = {Angew. Chem. Int. Ed.},
203 Keywords = {experimental, contact angle, surface},
204 Pages = {357-360},
205 Title = {Reversible switching between superhydrophilicity and superhydrophobicity},
206 Volume = {43},
207 Year = {2004}}
208
209 @article{Liu04,
210 Author = {H. Liu and L. Feng and J. Zhai and L. Jiang and D. Zhu},
211 Date-Added = {2014-12-05 17:59:40 +0000},
212 Date-Modified = {2014-12-05 18:01:15 +0000},
213 Journal = {Langmuir},
214 Keywords = {experimental, surface, contact angle},
215 Pages = {5659-5661},
216 Title = {Reversible wettability of a chemical vapor deposition prepared ZnO film between superhydrophobicity and superhydrophilicty},
217 Volume = {20},
218 Year = {2004}}
219
220 @article{Tadanaga00,
221 Author = {K. Tadanada and J. Morinaga and A. Matsuda and T. Minami},
222 Date-Added = {2014-12-05 17:56:24 +0000},
223 Date-Modified = {2014-12-05 17:58:00 +0000},
224 Journal = {Chem. Matter.},
225 Keywords = {experimental, contact angle, surface},
226 Pages = {590-592},
227 Title = {Superhyrophobic-Superhydrophilic Micropatterning on Flowerlike Alumina Coating Film by the Sol-Gel Method},
228 Volume = {12},
229 Year = {2000}}
230
231 @article{Ahuja08,
232 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},
233 Date-Added = {2014-12-05 17:48:19 +0000},
234 Date-Modified = {2014-12-05 17:50:42 +0000},
235 Journal = {Langmuir},
236 Keywords = {experimental, contact angle, nano, surface},
237 Pages = {9-14},
238 Title = {Nanonails: A Simple Geometric Approach to Electrically Tunable Superlyophobic Surfaces},
239 Volume = {24},
240 Year = {2008}}
241
242 @article{Sazaki12,
243 Author = {Sazaki, G. and Zepeda, S. and Nakatsubo, S. and Yokomine, M. and Furukawa, Y.},
244 Date-Added = {2014-12-04 22:09:50 +0000},
245 Date-Modified = {2014-12-04 22:11:05 +0000},
246 Journal = {PNAS},
247 Keywords = {QLL, crystal surface},
248 Number = {4},
249 Pages = {1052-1055},
250 Title = {Quasi-liquid layers on ice crystal surfaces are made up of two different phases},
251 Volume = {109},
252 Year = {2012}}
253
254 @article{Sazaki10,
255 Author = {Sazaki, G. and Zepeda, S. and Nakatsubo, S. and Yokoyama, E. and Furukawa, Y.},
256 Date-Added = {2014-12-04 22:07:48 +0000},
257 Date-Modified = {2014-12-04 22:09:47 +0000},
258 Journal = {PNAS},
259 Keywords = {QLL, microscopy, crystal surface},
260 Number = {46},
261 Pages = {19702-19707},
262 Title = {Elementary steps at the surface of ice crystals visualized by advanced optical microscopy},
263 Volume = {107},
264 Year = {2010}}
265
266 @article{Nada11b,
267 Author = {H. Nada},
268 Date-Added = {2014-12-04 20:55:30 +0000},
269 Date-Modified = {2014-12-04 20:56:52 +0000},
270 Journal = {Crystal growth \& design},
271 Keywords = {Crystal growth},
272 Number = {7},
273 Pages = {3130-3136},
274 Title = {Analysis of ice crystal growth shape under high pressure using molecular dynamics simulation},
275 Volume = {11},
276 Year = {2011}}
277
278 @article{Nada08,
279 Author = {H. Nada and Y. Furukawa},
280 Date-Added = {2014-12-04 20:24:34 +0000},
281 Date-Modified = {2014-12-04 20:25:49 +0000},
282 Journal = {J. Phys. Chem. B.},
283 Keywords = {Antifreeze proteins},
284 Pages = {7111-7119},
285 Title = {Growth inhibition mechanism of an ice-water interface by a mutant of winter flounder antifreeze protein: A molecular dynamics study},
286 Volume = {112},
287 Year = {2008}}
288
289 @article{Nada11,
290 Author = {H. Nada and Y. Furukawa},
291 Date-Added = {2014-12-04 20:20:34 +0000},
292 Date-Modified = {2014-12-04 20:21:48 +0000},
293 Journal = {PCCP},
294 Keywords = {Antifreeze proteins},
295 Pages = {19936-19942},
296 Title = {Growth inhibition at the ice prismatic plane induced by a spruce budworm antifreeze protein: a molecular dynamics simulation study},
297 Volume = {13},
298 Year = {2011}}
299
300 @article{Vrbka07,
301 Author = {Vrbka, L. and Jungwirth, P.},
302 Date-Added = {2014-12-04 19:16:47 +0000},
303 Date-Modified = {2014-12-04 19:18:30 +0000},
304 Journal = {Journal of Molecular Liquids},
305 Keywords = {SPC/E, melting point, salt, NaCl},
306 Pages = {64-70},
307 Title = {Molecular dynamics simulations of freezing of water and salt solutions},
308 Volume = {134},
309 Year = {2007}}
310
311 @article{Fernandez06,
312 Author = {Garcia Fernandec, R. and Abascal, J. L. F. and Vega, C.},
313 Date-Added = {2014-12-04 19:02:51 +0000},
314 Date-Modified = {2014-12-04 19:04:36 +0000},
315 Journal = {J. Chem. Phys.},
316 Keywords = {melting point, SPC/E, TIP4P, TIP4P-Ew, TIP4P/Ice, TIP4P/2005, TIP5P, TIP5P-Ew},
317 Pages = {144506},
318 Title = {The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface},
319 Volume = {124},
320 Year = {2006}}
321
322 @article{Sanz04b,
323 Author = {E. Sanz and C. Vega and J. L. F. Abascal and L. G. MacDowell},
324 Date-Added = {2014-12-04 18:59:12 +0000},
325 Date-Modified = {2014-12-05 19:30:52 +0000},
326 Journal = {Phys. Rev. Lett.},
327 Keywords = {SPC/E, TIP4P, phase diagram},
328 Number = {25},
329 Pages = {255701},
330 Title = {Phase Diagram of Water from Computer Simulation},
331 Volume = {92},
332 Year = {2004}}
333
334 @article{Abascal07,
335 Author = {Abascal, J. L. F. and Garcia Fernandec, R. and MacDowell, L. G. and Sanz, E. and Vega, C.},
336 Date-Added = {2014-12-04 18:28:27 +0000},
337 Date-Modified = {2014-12-04 18:31:09 +0000},
338 Journal = {Journal of Molecular Liquids},
339 Keywords = {SPC, SPC/E, TIP4P, TIP4P/Ice, TIP4P/2005, melting point},
340 Pages = {214},
341 Title = {Ice: A fruitful source of information about liquid water},
342 Volume = {136},
343 Year = {2007}}
344
345 @article{Koyama04,
346 Author = {Koyama, Yuji and Tanaka, Hideki and Gao, Gunangtu and Zeng, X. C.},
347 Date-Added = {2014-12-04 18:23:38 +0000},
348 Date-Modified = {2014-12-04 18:25:40 +0000},
349 Journal = {J. Chem. Phys.},
350 Keywords = {TIP4P, TIP5P, melting point},
351 Pages = {7926},
352 Title = {Melting points and thermal expansitivities of proton-disordered hexangonal ice with several model potentials},
353 Volume = {121},
354 Year = {2004}}
355
356 @article{Wang05,
357 Author = {Wang, J. and Yoo, S. and Bai, J. and Morris, James R. and Zeng, X. C.},
358 Date-Added = {2014-12-04 18:20:24 +0000},
359 Date-Modified = {2014-12-04 18:22:11 +0000},
360 Journal = {J. Chem. Phys.},
361 Keywords = {TIP4P, TIP5P, TIP4P-Ew, TIP5P-Ew, melting point,},
362 Pages = {036101},
363 Title = {Melting temperature of ice Ih calculated from coexisting solid-liquid phases},
364 Volume = {123},
365 Year = {2005}}
366
367 @article{Gao00,
368 Author = {Gao, G. T. and Zeng, X. C.},
369 Date-Added = {2014-12-04 18:17:33 +0000},
370 Date-Modified = {2014-12-04 18:19:06 +0000},
371 Journal = {J. Chem. Phys.},
372 Keywords = {TIP4P, melting point},
373 Pages = {8534},
374 Title = {The melting temperature of proton-disordered hexagonal ice: A computer simulation of 4-site transferable intermolecular potential model of water},
375 Volume = {112},
376 Year = {2000}}
377
378 @article{Abascal05b,
379 Author = {Abascal, J. L. F. and Sanz, E. and Garcia Fernandec, R. and Vega, C.},
380 Date-Added = {2014-12-04 17:33:13 +0000},
381 Date-Modified = {2014-12-04 17:34:28 +0000},
382 Journal = {J. Chem. Phys.},
383 Keywords = {TIP4P/Ice, water model, ice model},
384 Pages = {234511},
385 Title = {A potential model for the study of ices and amorphous water: TIP4P/Ice},
386 Volume = {122},
387 Year = {2005}}
388
389 @article{Abascal05,
390 Author = {Abascal, J. L. F. and Vega, C.},
391 Date-Added = {2014-12-04 17:31:39 +0000},
392 Date-Modified = {2014-12-04 17:32:47 +0000},
393 Journal = {J. Chem. Phys.},
394 Keywords = {TIP4P/2005, water model},
395 Pages = {234505},
396 Title = {A general purpose model for the condensed phases of water: TIP4P/2005},
397 Volume = {123},
398 Year = {2005}}
399
400 @article{Jorgensen85,
401 Author = {Jorgensen, W. L. and Madura, J. D.},
402 Date-Added = {2014-12-04 17:28:22 +0000},
403 Date-Modified = {2014-12-04 17:30:26 +0000},
404 Journal = {Mol. Phys.},
405 Pages = {1381-1392},
406 Title = {Temperature and size dependence for monte carlo simulations of TIP4P water},
407 Volume = {56},
408 Year = {1985}}
409
410 @article{Berendsen81,
411 Author = {Berendsen, H. J. C. and Postma, J. P. M and van Gunsteren, W. F. and Hermans, J.},
412 Date-Added = {2014-12-04 17:24:52 +0000},
413 Date-Modified = {2014-12-10 22:31:51 +0000},
414 Journal = {Intermolecular Forces},
415 Pages = {331},
416 Title = {Interaction models for water in relation to protein hydration},
417 Year = {1981}}
418
419 @article{Bell08,
420 Author = {Bell, Robin E.},
421 Date-Added = {2014-12-04 16:42:53 +0000},
422 Date-Modified = {2014-12-04 16:44:20 +0000},
423 Journal = {Nature Geoscience},
424 Keywords = {ice-water friction},
425 Pages = {297-304},
426 Title = {The role of subglacial water in ice-sheet mass balance},
427 Volume = {1},
428 Year = {2008}}
429
430 @article{Cuffey99,
431 Author = {Cuffey, K. M. and Conway, H. and Hallet, B. and Gades, A. M. and Raymond, C. F.},
432 Date-Added = {2014-12-04 16:22:37 +0000},
433 Date-Modified = {2014-12-04 16:40:21 +0000},
434 Journal = {Geophysical Research Letters},
435 Keywords = {ice-water friction},
436 Pages = {751-754},
437 Title = {Interfacial water in polar glaciers and glacier sliding at -17 C},
438 Volume = {26},
439 Year = {1999}}
440
441 @article{Lishman13,
442 Author = {Lishman, B. and Sammonds, P. R. and Feltham, D. L.},
443 Date-Added = {2014-12-04 15:49:46 +0000},
444 Date-Modified = {2014-12-04 22:46:37 +0000},
445 Journal = {Cold Regions Science and Technology},
446 Keywords = {ice-ice friction},
447 Pages = {9-13},
448 Title = {Critical slip and time dependence in sea ice friction},
449 Volume = {90-91},
450 Year = {2013}}
451
452 @article{Pritchard12,
453 Author = {Pritchard, R. S. and Knoke, G. S. and Echert, D. C. "Skip"},
454 Date-Added = {2014-12-04 15:42:01 +0000},
455 Date-Modified = {2014-12-04 15:44:47 +0000},
456 Journal = {Cold Regions Science and Technology},
457 Keywords = {ice-ice friction},
458 Pages = {8-16},
459 Title = {Sliding friction of sea ice blocks},
460 Volume = {76-77},
461 Year = {2012}}
462
463 @article{Sukhorukov13,
464 Author = {Sukhorukov, S. and Loset, S.},
465 Date-Added = {2014-12-04 15:39:43 +0000},
466 Date-Modified = {2014-12-04 15:41:18 +0000},
467 Journal = {Cold Regions Science and Technology},
468 Keywords = {ice-ice friction},
469 Pages = {1-12},
470 Title = {Friction of sea ice on sea ice},
471 Volume = {94},
472 Year = {2013}}
473
474 @article{Casassa91,
475 Author = {Casassa, G. and Narita, H. and Maeno, N.},
476 Date-Added = {2014-12-04 15:36:55 +0000},
477 Date-Modified = {2014-12-04 15:39:02 +0000},
478 Journal = {J. Appl. Phys.},
479 Keywords = {ice-ice friction},
480 Number = {6},
481 Pages = {3745},
482 Title = {Shear cell experiments of snow and ice friction},
483 Volume = {69},
484 Year = {1991}}
485
486 @article{Golding10,
487 Author = {N. Golding, E. M. Schulson, C. E. Renshaw},
488 Date-Added = {2014-12-04 15:28:06 +0000},
489 Date-Modified = {2014-12-04 15:29:04 +0000},
490 Journal = {Acta Materialia},
491 Pages = {5043-5056},
492 Title = {Shear faulting and localized heating in ice: The influence of confinement},
493 Volume = {58},
494 Year = {2010}}
495
496 @article{Samadashvili13,
497 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.},
498 Author = {N. Samadashvili and B. Reischl and T. Hynninen and T. Ala-Nissila and A. S. Foster},
499 Date-Added = {2014-12-04 14:55:07 +0000},
500 Date-Modified = {2014-12-05 19:29:39 +0000},
501 Journal = {Friction},
502 Keywords = {ice friction},
503 Pages = {242-251},
504 Title = {Atomistic simulations of friction at an ice-ice interface},
505 Volume = {1},
506 Year = {2013}}
507
508 @article{Sanz04,
509 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. },
510 Author = {E. Sanz and C. Vega and J. L. F. Abascal and L. G. MacDowell},
511 Date-Added = {2014-11-25 17:32:43 +0000},
512 Date-Modified = {2014-12-05 19:30:08 +0000},
513 Journal = {J. Chem. Phys.},
514 Keywords = {Ice, phase diagram, TIP4P, TIP5P},
515 Number = {2},
516 Pages = {1165},
517 Title = {Tracing the phase diagram of the gour-site water potential (TIP4P)},
518 Volume = {121},
519 Year = {2004}}
520
521 @article{Zhang14,
522 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.},
523 Author = {Xiang-Xiong, Min Chen, Ming Fu},
524 Date-Added = {2014-11-21 19:45:57 +0000},
525 Date-Modified = {2014-11-21 19:49:05 +0000},
526 Journal = {J. Chem. Phys.},
527 Pages = {124709},
528 Title = {Impact of surface nanostructure on ice nucleation},
529 Volume = {141},
530 Year = {2014}}
531
532 @article{Conde08,
533 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. },
534 Author = {M. M. Conde, C. Vega, A. Patrykiejew},
535 Date-Added = {2014-11-21 19:16:18 +0000},
536 Date-Modified = {2014-12-04 22:38:15 +0000},
537 Journal = {J. Chem. Phys.},
538 Keywords = {QLL},
539 Pages = {014702-1},
540 Title = {The thickness of a liquid layer on the free surface of ice as obtained from computer simulation},
541 Volume = {129},
542 Year = {2008}}
543
544 @article{Limmer14,
545 Author = {David T. Limmer and David Chandler},
546 Date-Added = {2014-11-19 19:31:03 +0000},
547 Date-Modified = {2014-12-04 22:47:00 +0000},
548 Journal = {J. Chem. Phys.},
549 Keywords = {QLL, mW model},
550 Pages = {18C505-1},
551 Title = {Premelting, fluctuations, and coarse-graining of water-ice interface},
552 Volume = {141},
553 Year = {2014}}
554
555 @article{Louden13,
556 Author = {Louden, Patrick B. and Gezelter, J. Daniel},
557 Date-Added = {2014-06-24 14:10:37 +0000},
558 Date-Modified = {2014-06-24 14:10:53 +0000},
559 Doi = {http://dx.doi.org/10.1063/1.4832378},
560 Eid = 194710,
561 Journal = {The Journal of Chemical Physics},
562 Number = {19},
563 Pages = {-},
564 Title = {Simulations of solid-liquid friction at ice-Ih/water interfaces},
565 Url = {http://scitation.aip.org/content/aip/journal/jcp/139/19/10.1063/1.4832378},
566 Volume = {139},
567 Year = {2013},
568 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/139/19/10.1063/1.4832378},
569 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4832378}}
570
571 @article{Beaglehole93,
572 Author = {Beaglehole, D. and Wilson, P.},
573 Date-Added = {2013-09-10 14:24:51 +0000},
574 Date-Modified = {2013-09-10 14:24:58 +0000},
575 Doi = {10.1021/j100144a025},
576 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100144a025},
577 Journal = {The Journal of Physical Chemistry},
578 Number = {42},
579 Pages = {11053-11055},
580 Title = {Thickness and anisotropy of the ice-water interface},
581 Url = {http://pubs.acs.org/doi/abs/10.1021/j100144a025},
582 Volume = {97},
583 Year = {1993},
584 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100144a025},
585 Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100144a025}}
586
587 @article{Bryk02,
588 Author = {Taras Bryk and A. D. J. Haymet},
589 Date-Added = {2013-09-10 14:23:32 +0000},
590 Date-Modified = {2013-09-10 14:23:42 +0000},
591 Doi = {10.1063/1.1519538},
592 Journal = {The Journal of Chemical Physics},
593 Keywords = {liquid structure; molecular dynamics method; water; ice; interface structure},
594 Number = {22},
595 Pages = {10258-10268},
596 Publisher = {AIP},
597 Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
598 Url = {http://link.aip.org/link/?JCP/117/10258/1},
599 Volume = {117},
600 Year = {2002},
601 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/117/10258/1},
602 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1519538}}
603
604 @article{Gay02,
605 Author = {S. C. Gay and E. J. Smith and A. D. J. Haymet},
606 Date-Added = {2013-09-10 14:22:50 +0000},
607 Date-Modified = {2013-09-10 14:22:54 +0000},
608 Doi = {10.1063/1.1471556},
609 Journal = {The Journal of Chemical Physics},
610 Keywords = {ice; melting; molecular dynamics method; crystal structure; digital simulation},
611 Number = {20},
612 Pages = {8876-8880},
613 Publisher = {AIP},
614 Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
615 Url = {http://link.aip.org/link/?JCP/116/8876/1},
616 Volume = {116},
617 Year = {2002},
618 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/116/8876/1},
619 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1471556}}
620
621 @article{Duman:2001qy,
622 Author = {Duman, John G},
623 Date-Added = {2013-09-10 14:21:59 +0000},
624 Date-Modified = {2013-09-10 14:22:07 +0000},
625 Doi = {10.1146/annurev.physiol.63.1.327},
626 Eprint = {http://www.annualreviews.org/doi/pdf/10.1146/annurev.physiol.63.1.327},
627 Journal = {Annual Review of Physiology},
628 Note = {PMID: 11181959},
629 Number = {1},
630 Pages = {327-357},
631 Title = {ANTIFREEZE AND ICE NUCLEATOR PROTEINS IN TERRESTRIAL ARTHROPODS},
632 Url = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physiol.63.1.327},
633 Volume = {63},
634 Year = {2001},
635 Bdsk-Url-1 = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physiol.63.1.327},
636 Bdsk-Url-2 = {http://dx.doi.org/10.1146/annurev.physiol.63.1.327}}
637
638 @article{Chapsky97,
639 Author = {Chapsky, Lars and Rubinsky, Boris},
640 Date = {1997/07/21},
641 Date-Added = {2013-09-10 14:21:02 +0000},
642 Date-Modified = {2013-09-10 14:21:09 +0000},
643 Id = {S0014-5793(97)00787-4},
644 Isbn = {0014-5793},
645 Journal = {FEBS letters},
646 Journal1 = {FEBS letters},
647 Journal2 = {FEBS Lett},
648 Keywords = {Antifreeze proteins; Protein adsorption; Temperature gradient thermometry; Ice},
649 Month = {07},
650 Number = {1},
651 Pages = {241--244},
652 Publisher = {Elsevier Science B.V.},
653 Title = {Kinetics of antifreeze protein-induced ice growth inhibition},
654 Ty = {ABST},
655 Url = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true},
656 Volume = {412},
657 Year = {1997},
658 Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true}}
659
660 @article{Weber83,
661 Annote = {doi: 10.1021/j100244a057},
662 Author = {Weber, Thomas A. and Stillinger, Frank H.},
663 Booktitle = {The Journal of Physical Chemistry},
664 Da = {1983/10/01},
665 Date = {1983/10/01},
666 Date-Added = {2013-09-10 14:20:08 +0000},
667 Date-Modified = {2013-09-10 14:20:17 +0000},
668 Doi = {10.1021/j100244a057},
669 Isbn = {0022-3654},
670 Journal = {The Journal of Physical Chemistry},
671 Journal1 = {J. Phys. Chem.},
672 M3 = {doi: 10.1021/j100244a057},
673 Month = {2013/09/10},
674 Number = {21},
675 Pages = {4277--4281},
676 Publisher = {American Chemical Society},
677 Title = {Molecular dynamics study of ice crystallite melting},
678 Ty = {JOUR},
679 Url = {http://dx.doi.org/10.1021/j100244a057},
680 Volume = {87},
681 Year = {1983},
682 Year1 = {1983},
683 Bdsk-Url-1 = {http://dx.doi.org/10.1021/j100244a057}}
684
685 @article{Han92,
686 Author = {Han, K. and Hale, B. N.},
687 Date-Added = {2013-09-10 14:19:03 +0000},
688 Date-Modified = {2013-09-10 14:19:07 +0000},
689 Doi = {10.1103/PhysRevB.45.29},
690 Issue = {1},
691 Journal = {Phys. Rev. B},
692 Month = {Jan},
693 Pages = {29--35},
694 Publisher = {American Physical Society},
695 Title = {Monte Carlo study of a simple model bulk-ice-Ih system: \textit{P} - \textit{T} melting behavior at constant volume},
696 Url = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
697 Volume = {45},
698 Year = {1992},
699 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
700 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.45.29}}
701
702 @article{Hayward02,
703 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.},
704 Author = {Hayward, Jennifer A. and Haymet, A. D. J.},
705 Date-Added = {2013-09-10 14:18:04 +0000},
706 Date-Modified = {2013-09-10 14:18:11 +0000},
707 Doi = {10.1039/B202039D},
708 Issue = {15},
709 Journal = {Phys. Chem. Chem. Phys.},
710 Pages = {3712-3719},
711 Publisher = {The Royal Society of Chemistry},
712 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},
713 Url = {http://dx.doi.org/10.1039/B202039D},
714 Volume = {4},
715 Year = {2002},
716 Bdsk-Url-1 = {http://dx.doi.org/10.1039/B202039D}}
717
718 @article{Nada95,
719 Author = {Hiroki Nada and Yoshinori Furukawa},
720 Date-Added = {2013-09-10 14:16:57 +0000},
721 Date-Modified = {2013-09-10 14:17:03 +0000},
722 Doi = {10.1143/JJAP.34.583},
723 Journal = {Japanese Journal of Applied Physics},
724 Number = {Part 1, No. 2A},
725 Numpages = {5},
726 Pages = {583-588},
727 Publisher = {The Japan Society of Applied Physics},
728 Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
729 Url = {http://jjap.jsap.jp/link?JJAP/34/583/},
730 Volume = {34},
731 Year = {1995},
732 Bdsk-Url-1 = {http://jjap.jsap.jp/link?JJAP/34/583/},
733 Bdsk-Url-2 = {http://dx.doi.org/10.1143/JJAP.34.583}}
734
735 @article{Nada12,
736 Author = {Nada, Hiroki and Furukawa, Yoshinori},
737 Date = {2012/07//print},
738 Date-Added = {2013-09-10 14:15:54 +0000},
739 Date-Modified = {2013-09-10 14:16:01 +0000},
740 Isbn = {0032-3896},
741 Journal = {Polym J},
742 Month = {07},
743 Number = {7},
744 Pages = {690--698},
745 Publisher = {The Society of Polymer Science, Japan},
746 Title = {Antifreeze proteins: computer simulation studies on the mechanism of ice growth inhibition},
747 Ty = {JOUR},
748 Url = {http://dx.doi.org/10.1038/pj.2012.13},
749 Volume = {44},
750 Year = {2012},
751 Bdsk-Url-1 = {http://dx.doi.org/10.1038/pj.2012.13}}
752
753 @article{Ewald,
754 Author = {Christopher J. Fennell and J. Daniel Gezelter},
755 Date-Added = {2013-09-10 14:14:59 +0000},
756 Date-Modified = {2013-09-10 14:15:03 +0000},
757 Doi = {10.1063/1.2206581},
758 Eid = {234104},
759 Journal = {The Journal of Chemical Physics},
760 Keywords = {Lennard-Jones potential; liquid theory; molecular dynamics method},
761 Number = {23},
762 Numpages = {12},
763 Pages = {234104},
764 Publisher = {AIP},
765 Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
766 Url = {http://link.aip.org/link/?JCP/124/234104/1},
767 Volume = {124},
768 Year = {2006},
769 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/124/234104/1},
770 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2206581}}
771
772 @article{Laage08,
773 Author = {Laage, Damien and Hynes, James T.},
774 Date-Added = {2013-09-10 13:29:18 +0000},
775 Date-Modified = {2013-09-10 13:29:25 +0000},
776 Doi = {10.1021/jp805217u},
777 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp805217u},
778 Journal = {The Journal of Physical Chemistry B},
779 Note = {PMID: 18942871},
780 Number = {45},
781 Pages = {14230-14242},
782 Title = {On the Molecular Mechanism of Water Reorientation},
783 Url = {http://pubs.acs.org/doi/abs/10.1021/jp805217u},
784 Volume = {112},
785 Year = {2008},
786 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp805217u},
787 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp805217u}}
788
789 @article{Kumar09,
790 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.},
791 Author = {Kumar, Pradeep and Buldyrev, Sergey V. and Stanley, H. Eugene},
792 Date-Added = {2013-09-10 13:27:51 +0000},
793 Date-Modified = {2013-09-10 13:27:58 +0000},
794 Doi = {10.1073/pnas.0911094106},
795 Eprint = {http://www.pnas.org/content/106/52/22130.full.pdf+html},
796 Journal = {Proceedings of the National Academy of Sciences},
797 Number = {52},
798 Pages = {22130-22134},
799 Title = {A tetrahedral entropy for water},
800 Url = {http://www.pnas.org/content/106/52/22130.abstract},
801 Volume = {106},
802 Year = {2009},
803 Bdsk-Url-1 = {http://www.pnas.org/content/106/52/22130.abstract},
804 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0911094106}}
805
806 @article{Furse08,
807 Author = {Furse, Kristina E. and Corcelli, Steven A.},
808 Date-Added = {2013-09-10 13:25:57 +0000},
809 Date-Modified = {2013-09-10 13:26:03 +0000},
810 Doi = {10.1021/ja803728g},
811 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja803728g},
812 Journal = {Journal of the American Chemical Society},
813 Note = {PMID: 18767841},
814 Number = {39},
815 Pages = {13103-13109},
816 Title = {The Dynamics of Water at DNA Interfaces: Computational Studies of Hoechst 33258 Bound to DNA},
817 Url = {http://pubs.acs.org/doi/abs/10.1021/ja803728g},
818 Volume = {130},
819 Year = {2008},
820 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja803728g},
821 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja803728g}}
822
823 @article{Pit99,
824 Author = {Pit, Remmelt and Hervet, Hubert and L{\'e}ger, Liliane},
825 Date-Added = {2013-09-09 22:18:25 +0000},
826 Date-Modified = {2013-09-09 22:18:35 +0000},
827 Doi = {10.1023/A:1019161101812},
828 Issn = {1023-8883},
829 Journal = {Tribology Letters},
830 Keywords = {slip; lubrication; friction; lyophobic; liquid--solid interface},
831 Language = {English},
832 Number = {2-3},
833 Pages = {147-152},
834 Publisher = {Kluwer Academic Publishers-Plenum Publishers},
835 Title = {Friction and slip of a simple liquid at a solid surface},
836 Url = {http://dx.doi.org/10.1023/A%3A1019161101812},
837 Volume = {7},
838 Year = {1999},
839 Bdsk-Url-1 = {http://dx.doi.org/10.1023/A%3A1019161101812},
840 Bdsk-Url-2 = {http://dx.doi.org/10.1023/A:1019161101812}}
841
842 @article{Berendsen87,
843 Author = {Berendsen, H. J. C. and Grigera, J. R. and Straatsma, T. P.},
844 Date-Added = {2013-09-09 22:17:15 +0000},
845 Date-Modified = {2013-09-09 22:17:24 +0000},
846 Doi = {10.1021/j100308a038},
847 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100308a038},
848 Journal = {The Journal of Physical Chemistry},
849 Number = {24},
850 Pages = {6269-6271},
851 Title = {The missing term in effective pair potentials},
852 Url = {http://pubs.acs.org/doi/abs/10.1021/j100308a038},
853 Volume = {91},
854 Year = {1987},
855 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100308a038},
856 Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100308a038}}
857
858 @article{Wilson10,
859 Author = {Wilson, P. W. and Haymet, A. D. J.},
860 Date-Added = {2013-09-09 22:15:46 +0000},
861 Date-Modified = {2013-09-09 22:16:06 +0000},
862 Doi = {10.1021/jp105001c},
863 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp105001c},
864 Journal = {The Journal of Physical Chemistry B},
865 Number = {39},
866 Pages = {12585-12588},
867 Title = {Effect of Ice Growth Rate on the Measured Workman - Reynolds Freezing Potential between Ice and Dilute NaCl Solutions},
868 Url = {http://pubs.acs.org/doi/abs/10.1021/jp105001c},
869 Volume = {114},
870 Year = {2010},
871 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp105001c},
872 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp105001c}}
873
874 @article{Karim88,
875 Author = {Omar A. Karim and A. D. J. Haymet},
876 Date-Added = {2013-09-09 22:12:57 +0000},
877 Date-Modified = {2013-09-09 22:13:11 +0000},
878 Doi = {10.1063/1.455363},
879 Journal = {The Journal of Chemical Physics},
880 Keywords = {ICE; WATER; INTERFACE STRUCTURE; MOLECULAR DYNAMICS CALCULATIONS; CORRELATION FUNCTIONS},
881 Number = {11},
882 Pages = {6889-6896},
883 Publisher = {AIP},
884 Title = {The ice/water interface: A molecular dynamics simulation study},
885 Url = {http://link.aip.org/link/?JCP/89/6889/1},
886 Volume = {89},
887 Year = {1988},
888 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/89/6889/1},
889 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.455363}}
890
891 @article{Hayward01,
892 Author = {Jennifer A. Hayward and A. D. J. Haymet},
893 Date-Added = {2013-09-09 22:11:25 +0000},
894 Date-Modified = {2013-09-09 22:11:33 +0000},
895 Doi = {10.1063/1.1333680},
896 Journal = {The Journal of Chemical Physics},
897 Keywords = {ice; water; molecular dynamics method; interface phenomena; density; diffusion},
898 Number = {8},
899 Pages = {3713-3726},
900 Publisher = {AIP},
901 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},
902 Url = {http://link.aip.org/link/?JCP/114/3713/1},
903 Volume = {114},
904 Year = {2001},
905 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/114/3713/1},
906 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1333680}}
907
908 @article{Karim90,
909 Author = {Omar A. Karim and Paul A. Kay and A. D. J. Haymet},
910 Date-Added = {2013-09-09 22:10:33 +0000},
911 Date-Modified = {2013-09-09 22:10:40 +0000},
912 Doi = {10.1063/1.457730},
913 Journal = {The Journal of Chemical Physics},
914 Keywords = {ICE; WATER; INTERFACES; COMPUTERIZED SIMULATION; MOLECULAR DYNAMICS CALCULATIONS; INTERFACE STRUCTURE; SURFACE PROPERTIES; MOLECULAR ORIENTATION; DIFFUSION; DENSITY},
915 Number = {7},
916 Pages = {4634-4635},
917 Publisher = {AIP},
918 Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
919 Url = {http://link.aip.org/link/?JCP/92/4634/1},
920 Volume = {92},
921 Year = {1990},
922 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/92/4634/1},
923 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.457730}}
924
925 @article{Hirsch04,
926 Author = {Hirsch, Tomas K. and Ojam{\"a}e, Lars},
927 Date-Added = {2013-09-09 18:46:26 +0000},
928 Date-Modified = {2013-09-09 18:47:19 +0000},
929 Doi = {10.1021/jp048434u},
930 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp048434u},
931 Journal = {The Journal of Physical Chemistry B},
932 Number = {40},
933 Pages = {15856-15864},
934 Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
935 Url = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
936 Volume = {108},
937 Year = {2004},
938 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
939 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp048434u}}
940
941 @article{Laage11,
942 Author = {Laage, Damien and Stirnemann, Guillaume and Sterpone, Fabio and Rey, Rossend and Hynes, James T.},
943 Date-Added = {2013-09-09 18:43:55 +0000},
944 Date-Modified = {2013-09-09 18:44:03 +0000},
945 Doi = {10.1146/annurev.physchem.012809.103503},
946 Eprint = {http://www.annualreviews.org/doi/pdf/10.1146/annurev.physchem.012809.103503},
947 Journal = {Annual Review of Physical Chemistry},
948 Note = {PMID: 21219140},
949 Number = {1},
950 Pages = {395-416},
951 Title = {Reorientation and Allied Dynamics in Water and Aqueous Solutions},
952 Url = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
953 Volume = {62},
954 Year = {2011},
955 Bdsk-Url-1 = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
956 Bdsk-Url-2 = {http://dx.doi.org/10.1146/annurev.physchem.012809.103503}}
957
958 @article{PhysRevLett.70.2726,
959 Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
960 Date-Added = {2013-09-09 17:57:57 +0000},
961 Date-Modified = {2013-09-09 17:57:57 +0000},
962 Doi = {10.1103/PhysRevLett.70.2726},
963 Issue = {18},
964 Journal = {Phys. Rev. Lett.},
965 Month = {May},
966 Pages = {2726--2729},
967 Publisher = {American Physical Society},
968 Title = {Hydrodynamic boundary conditions and correlation functions of confined fluids},
969 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
970 Volume = {70},
971 Year = {1993},
972 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
973 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.70.2726}}
974
975 @article{PhysRevE.49.3079,
976 Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
977 Date-Added = {2013-09-09 17:57:29 +0000},
978 Date-Modified = {2013-09-09 17:57:29 +0000},
979 Doi = {10.1103/PhysRevE.49.3079},
980 Issue = {4},
981 Journal = {Phys. Rev. E},
982 Month = {Apr},
983 Pages = {3079--3092},
984 Publisher = {American Physical Society},
985 Title = {Hydrodynamic boundary conditions, correlation functions, and Kubo relations for confined fluids},
986 Url = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
987 Volume = {49},
988 Year = {1994},
989 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
990 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.49.3079}}
991
992 @article{Mundy1997305,
993 Author = {Christopher J. Mundy and Sundaram Balasubramanian and Michael L. Klein},
994 Date-Added = {2013-09-09 17:02:36 +0000},
995 Date-Modified = {2013-09-09 18:38:42 +0000},
996 Doi = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4},
997 Issn = {0378-4371},
998 Journal = {Physica A: Statistical Mechanics and its Applications},
999 Number = {1--2},
1000 Pages = {305 - 314},
1001 Title = {Computation of the hydrodynamic boundary parameters of a confined fluid via non-equilibrium molecular dynamics},
1002 Url = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
1003 Volume = {240},
1004 Year = {1997},
1005 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
1006 Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4}}
1007
1008 @article{Bresme08,
1009 Author = {Bresme, Fernando and Lervik, Anders and Bedeaux, Dick and Kjelstrup, Signe},
1010 Date-Added = {2013-09-09 13:16:41 +0000},
1011 Date-Modified = {2013-09-09 13:16:47 +0000},
1012 Doi = {10.1103/PhysRevLett.101.020602},
1013 Issue = {2},
1014 Journal = {Phys. Rev. Lett.},
1015 Month = {Jul},
1016 Numpages = {4},
1017 Pages = {020602},
1018 Publisher = {American Physical Society},
1019 Title = {Water Polarization under Thermal Gradients},
1020 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
1021 Volume = {101},
1022 Year = {2008},
1023 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
1024 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.101.020602}}
1025
1026 @article{Nada03,
1027 Author = {Hiroki Nada and Jan P. J. M. van der Eerden},
1028 Date-Added = {2013-09-09 13:15:08 +0000},
1029 Date-Modified = {2013-09-09 13:15:17 +0000},
1030 Doi = {10.1063/1.1562610},
1031 Journal = {The Journal of Chemical Physics},
1032 Keywords = {potential energy functions; ice; water; melting point; Monte Carlo methods; thermodynamic properties; liquid structure},
1033 Number = {16},
1034 Pages = {7401-7413},
1035 Publisher = {AIP},
1036 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},
1037 Url = {http://link.aip.org/link/?JCP/118/7401/1},
1038 Volume = {118},
1039 Year = {2003},
1040 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/118/7401/1},
1041 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1562610}}
1042
1043 @article{Wierzbicki07,
1044 Author = {Wierzbicki, Andrzej and Dalal, Pranav and Cheatham, Thomas E. and Knickelbein, Jared E. and Haymet, A. D. J. and Madura, Jeffry D.},
1045 Date = {2007/09/01},
1046 Date-Added = {2013-09-09 13:13:07 +0000},
1047 Date-Modified = {2013-09-09 13:13:15 +0000},
1048 Id = {S0006-3495(07)71405-4 DOI - 10.1529/biophysj.107.105189},
1049 Isbn = {0006-3495},
1050 Journal = {Biophysical journal},
1051 Journal1 = {Biophysical journal},
1052 Journal2 = {Biophys J},
1053 Month = {09},
1054 Number = {5},
1055 Pages = {1442--1451},
1056 Publisher = {Cell Press},
1057 Title = {Antifreeze Proteins at the Ice/Water Interface: Three Calculated Discriminating Properties for Orientation of Type I Proteins},
1058 Ty = {ABST},
1059 Url = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054},
1060 Volume = {93},
1061 Year = {2007},
1062 Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054}}
1063
1064 @article{OOPSE,
1065 Author = {Meineke, Matthew A. and Vardeman, Charles F. and Lin, Teng and Fennell, Christopher J. and Gezelter, J. Daniel},
1066 Date-Added = {2013-09-03 20:42:45 +0000},
1067 Date-Modified = {2013-09-03 20:42:45 +0000},
1068 Doi = {10.1002/jcc.20161},
1069 Issn = {1096-987X},
1070 Journal = {Journal of Computational Chemistry},
1071 Keywords = {OOPSE, molecular dynamics},
1072 Number = {3},
1073 Pages = {252--271},
1074 Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
1075 Title = {OOPSE: An object-oriented parallel simulation engine for molecular dynamics},
1076 Url = {http://dx.doi.org/10.1002/jcc.20161},
1077 Volume = {26},
1078 Year = {2005},
1079 Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20161}}
1080
1081 @misc{openmd,
1082 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},
1083 Date-Added = {2013-09-03 20:42:37 +0000},
1084 Date-Modified = {2013-09-03 20:42:37 +0000},
1085 Howpublished = {Available at {\tt http://openmd.org}},
1086 Title = {{OpenMD, an Open Source Engine for Molecular Dynamics}}}
1087
1088 @article{Buch:2008fk,
1089 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.},
1090 Author = {Buch, V. and Groenzin, H. and Li, I. and Shultz, M. J. and Tosatti, E.},
1091 Date-Added = {2013-09-03 20:15:03 +0000},
1092 Date-Modified = {2013-09-03 20:15:11 +0000},
1093 Doi = {10.1073/pnas.0710129105},
1094 Eprint = {http://www.pnas.org/content/105/16/5969.full.pdf+html},
1095 Journal = {Proceedings of the National Academy of Sciences},
1096 Number = {16},
1097 Pages = {5969-5974},
1098 Title = {Proton order in the ice crystal surface},
1099 Url = {http://www.pnas.org/content/105/16/5969.abstract},
1100 Volume = {105},
1101 Year = {2008},
1102 Bdsk-Url-1 = {http://www.pnas.org/content/105/16/5969.abstract},
1103 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0710129105}}
1104
1105 @article{Wilson08,
1106 Author = {Wilson, P. W. and Haymet, A. D. J.},
1107 Date-Added = {2013-09-03 20:09:39 +0000},
1108 Date-Modified = {2013-09-09 22:14:12 +0000},
1109 Doi = {10.1021/jp804047x},
1110 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp804047x},
1111 Journal = {The Journal of Physical Chemistry B},
1112 Note = {PMID: 18720967},
1113 Number = {37},
1114 Pages = {11750-11755},
1115 Title = {Workman - Reynolds Freezing Potential Measurements between Ice and Dilute Salt Solutions for Single Ice Crystal Faces},
1116 Url = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
1117 Volume = {112},
1118 Year = {2008},
1119 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
1120 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp804047x}}
1121
1122 @article{Smith05,
1123 Author = {E. J. Smith and T. Bryk and A. D. J. Haymet},
1124 Date-Added = {2013-09-03 20:03:24 +0000},
1125 Date-Modified = {2013-09-03 20:03:30 +0000},
1126 Doi = {10.1063/1.1953578},
1127 Eid = {034706},
1128 Journal = {The Journal of Chemical Physics},
1129 Keywords = {chlorine; sodium; ice; water; positive ions; negative ions; free energy; solvation; molecular dynamics method; interface phenomena; melting point},
1130 Number = {3},
1131 Numpages = {16},
1132 Pages = {034706},
1133 Publisher = {AIP},
1134 Title = {Free energy of solvation of simple ions: Molecular-dynamics study of solvation of Cl[sup -] and Na[sup +] in the ice/water interface},
1135 Url = {http://link.aip.org/link/?JCP/123/034706/1},
1136 Volume = {123},
1137 Year = {2005},
1138 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/123/034706/1},
1139 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1953578}}
1140
1141 @article{Sakai96,
1142 Author = {Hideki Sakai},
1143 Date-Added = {2013-09-03 20:01:26 +0000},
1144 Date-Modified = {2013-09-03 20:01:36 +0000},
1145 Doi = {http://dx.doi.org/10.1016/0039-6028(96)01033-3},
1146 Issn = {0039-6028},
1147 Journal = {Surface Science},
1148 Keywords = {Surface melting},
1149 Number = {3},
1150 Pages = {387 - 392},
1151 Title = {How does a slab-shaped solid melt?},
1152 Url = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
1153 Volume = {348},
1154 Year = {1996},
1155 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
1156 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(96)01033-3}}
1157
1158 @article{Sakai96B,
1159 Author = {Hideki Sakai},
1160 Date-Added = {2013-09-03 20:00:35 +0000},
1161 Date-Modified = {2013-09-03 20:01:43 +0000},
1162 Doi = {http://dx.doi.org/10.1016/0039-6028(95)01263-X},
1163 Issn = {0039-6028},
1164 Journal = {Surface Science},
1165 Keywords = {Surface melting},
1166 Number = {1--3},
1167 Pages = {285 - 291},
1168 Title = {Surface-induced melting of small particles},
1169 Url = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
1170 Volume = {351},
1171 Year = {1996},
1172 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
1173 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)01263-X}}
1174
1175 @article{Vanfleet95,
1176 Author = {Richard R. Vanfleet and J.M. Mochel},
1177 Date-Added = {2013-09-03 19:59:42 +0000},
1178 Date-Modified = {2013-09-03 19:59:51 +0000},
1179 Doi = {http://dx.doi.org/10.1016/0039-6028(95)00728-8},
1180 Issn = {0039-6028},
1181 Journal = {Surface Science},
1182 Keywords = {Wetting},
1183 Number = {1--2},
1184 Pages = {40 - 50},
1185 Title = {Thermodynamics of melting and freezing in small particles},
1186 Url = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
1187 Volume = {341},
1188 Year = {1995},
1189 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
1190 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)00728-8}}
1191
1192 @article{Granasy95,
1193 Author = {Granasy, Laszlo},
1194 Date-Added = {2013-09-03 19:58:11 +0000},
1195 Date-Modified = {2013-09-03 19:58:23 +0000},
1196 Doi = {10.1021/j100038a061},
1197 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100038a061},
1198 Journal = {The Journal of Physical Chemistry},
1199 Number = {38},
1200 Pages = {14182-14187},
1201 Title = {Diffuse Interface Analysis of Ice Nucleation in Undercooled Water},
1202 Url = {http://pubs.acs.org/doi/abs/10.1021/j100038a061},
1203 Volume = {99},
1204 Year = {1995},
1205 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100038a061},
1206 Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100038a061}}
1207
1208 @article{Meister29012013,
1209 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.},
1210 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},
1211 Date-Added = {2013-09-03 19:22:18 +0000},
1212 Date-Modified = {2013-09-03 19:22:18 +0000},
1213 Doi = {10.1073/pnas.1214911110},
1214 Eprint = {http://www.pnas.org/content/110/5/1617.full.pdf+html},
1215 Journal = {Proceedings of the National Academy of Sciences},
1216 Number = {5},
1217 Pages = {1617-1622},
1218 Title = {Long-range protein--water dynamics in hyperactive insect antifreeze proteins},
1219 Url = {http://www.pnas.org/content/110/5/1617.abstract},
1220 Volume = {110},
1221 Year = {2013},
1222 Bdsk-Url-1 = {http://www.pnas.org/content/110/5/1617.abstract},
1223 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.1214911110}}
1224
1225 @article{Nada05,
1226 Author = {H. Nada and Y. Furukawa},
1227 Date-Added = {2013-08-30 00:03:37 +0000},
1228 Date-Modified = {2013-09-03 19:53:16 +0000},
1229 Journal = {Journal of Crystal Growth},
1230 Pages = {242-256},
1231 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}},
1232 Volume = {283},
1233 Year = {2005}}
1234
1235 @article{Bryk04,
1236 Author = {T. Bryk and A. D. J. Haymet},
1237 Date-Added = {2013-07-15 18:33:15 +0000},
1238 Date-Modified = {2013-07-15 18:34:17 +0000},
1239 Journal = {Journal of Molecular Liquids},
1240 Pages = {47-50},
1241 Title = {Charge separation at the ice/water interface: a molecular dynamics simulation study of solute ions at the ice basal plane},
1242 Volume = {112},
1243 Year = {2004}}
1244
1245 @article{Rick03,
1246 Author = {S. W. Rick and A. D. J. Haymet},
1247 Date-Added = {2013-07-15 16:05:32 +0000},
1248 Date-Modified = {2013-07-15 16:06:41 +0000},
1249 Journal = {J. Chem. Phys.},
1250 Number = {20},
1251 Pages = {9291-9296},
1252 Title = {Dielectric constant and proton order and disorder in ice Ih: Monte Carlo computer simulations},
1253 Volume = {118},
1254 Year = {2003}}
1255
1256 @article{Davidchack12,
1257 Author = {Davidchack, Ruslan L. and Handel, Richard and Anwar, Jamshed and Brukhno, Andrey V.},
1258 Date-Added = {2013-07-11 21:25:47 +0000},
1259 Date-Modified = {2013-07-11 21:34:56 +0000},
1260 Doi = {10.1021/ct300193e},
1261 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ct300193e},
1262 Journal = {Journal of Chemical Theory and Computation},
1263 Number = {7},
1264 Pages = {2383-2390},
1265 Title = {Ice Ih--Water Interfacial Free Energy of Simple Water Models with Full Electrostatic Interactions},
1266 Url = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
1267 Volume = {8},
1268 Year = {2012},
1269 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
1270 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ct300193e}}
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1273 Author = {J. A. Armstrong and F. Bresme},
1274 Date-Added = {2013-07-11 19:35:13 +0000},
1275 Date-Modified = {2013-07-12 19:40:42 +0000},
1276 Journal = {J. Chem. Phys.},
1277 Pages = {014504},
1278 Title = {Water polarization induced by thermal gradients: Te extended simple point charge model (SPC/E)},
1279 Volume = {139},
1280 Year = {2013}}
1281
1282 @article{Smith93,
1283 Author = {P. E. Smith and W F. van Gunsteren},
1284 Date-Added = {2013-06-19 17:39:04 +0000},
1285 Date-Modified = {2013-07-12 19:44:47 +0000},
1286 Journal = {Chem. Phys. Letters},
1287 Number = {4},
1288 Pages = {315-318},
1289 Title = {The viscosity of SPC and SPC/E water at 277 and 300 K},
1290 Volume = {215},
1291 Year = {1993}}
1292
1293 @article{Gonzalez10,
1294 Author = {M. A. Gonzalez and J. L. F. Abascal},
1295 Date-Added = {2013-06-19 17:30:15 +0000},
1296 Date-Modified = {2013-07-12 19:42:54 +0000},
1297 Journal = {J. Chem. Phys.},
1298 Pages = {096101-1},
1299 Title = {The shear viscosity of rigid water models},
1300 Volume = {132},
1301 Year = {2010}}
1302
1303 @article{Balasubramanian96,
1304 Author = {S. Balasubramanian and C. J. Mundy and M. L. Klein},
1305 Date-Added = {2013-06-19 17:28:24 +0000},
1306 Date-Modified = {2013-07-12 19:41:03 +0000},
1307 Journal = {J. Chem. Phys.},
1308 Number = {24},
1309 Pages = {11190-11195},
1310 Title = {Shear viscosity of polar fluids: Molecular dynamics calculations of water},
1311 Volume = {105},
1312 Year = {1996}}
1313
1314 @article{Guo01,
1315 Author = {G. Guo and Y. Zhang},
1316 Date-Added = {2013-06-19 17:27:08 +0000},
1317 Date-Modified = {2013-07-12 19:43:00 +0000},
1318 Journal = {Molecular Physics},
1319 Number = {4},
1320 Pages = {283-289},
1321 Title = {Equilibrium molecular dynamics calculation of the bulk viscosity of liquid water},
1322 Volume = {99},
1323 Year = {2001}}
1324
1325 @article{Hess02,
1326 Author = {B. Hess},
1327 Date-Added = {2013-06-19 17:19:04 +0000},
1328 Date-Modified = {2013-06-19 17:20:27 +0000},
1329 Journal = {J. Chem. Phys.},
1330 Number = {1},
1331 Pages = {209-217},
1332 Title = {Determining the shear viscosity of model liquids from molecular dynamics simulations},
1333 Volume = {116},
1334 Year = {2002}}
1335
1336 @article{Balasubramanian99,
1337 Author = {S. Balasubramanian and C. J. Mundy},
1338 Date-Added = {2013-06-13 16:47:33 +0000},
1339 Date-Modified = {2013-07-12 19:41:12 +0000},
1340 Journal = {Bull. Mater. Sci.},
1341 Number = {5},
1342 Pages = {873-876},
1343 Title = {Calculation of friction coefficient of a solid-liquid interface via a non-equilibrium molecular dynamics simulation},
1344 Volume = {22},
1345 Year = {1999}}
1346
1347 @article{Arbuckle02,
1348 Author = {B. W. Arbuckle and P. Clancy},
1349 Date-Added = {2013-04-26 19:34:32 +0000},
1350 Date-Modified = {2013-07-12 19:40:33 +0000},
1351 Journal = {J. Chem. Phys.},
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1353 Pages = {5090-5098},
1354 Title = {Effects of the Ewald sum on the free energy of the extended simple point charge model for water},
1355 Volume = {116},
1356 Year = {2002}}
1357
1358 @article{Baez95,
1359 Author = {L. A. Baez and P. Clancy},
1360 Date-Added = {2013-04-17 20:31:40 +0000},
1361 Date-Modified = {2013-07-12 19:40:50 +0000},
1362 Journal = {J. Chem. Phys.},
1363 Number = {22},
1364 Pages = {9744-9755},
1365 Title = {Phase equilibria in extended simple point charge ice-water systems},
1366 Volume = {103},
1367 Year = {1995}}
1368
1369 @article{Nada00,
1370 Author = {H. Nada and Y. Furukawa},
1371 Date-Added = {2013-04-17 18:43:16 +0000},
1372 Date-Modified = {2013-07-12 19:44:13 +0000},
1373 Journal = {Surface Science},
1374 Pages = {1-16},
1375 Title = {Anisotropy in structural transitions between basal and prismatic faces of ice studied by molecular dynamics simulation},
1376 Volume = {446},
1377 Year = {2000}}
1378
1379 @article{Rick01,
1380 Author = {S. W. Rick},
1381 Date-Added = {2013-04-10 20:46:33 +0000},
1382 Date-Modified = {2013-04-10 20:47:32 +0000},
1383 Journal = {J. Chem. Phys.},
1384 Number = {5},
1385 Pages = {2276-2283},
1386 Title = {Simulations of ice and liquid water over a range of temperatures using the fluctuating charge model},
1387 Volume = {114},
1388 Year = {2001}}
1389
1390 @article{Barnaal67,
1391 Author = {D. E. Barnaal and I. J. Lowe},
1392 Date-Added = {2013-01-25 22:17:46 +0000},
1393 Date-Modified = {2013-07-12 19:41:19 +0000},
1394 Journal = {J. Chem. Phys.},
1395 Number = {12},
1396 Pages = {4800- 4809},
1397 Title = {Experimental Free-Induction-Decay Shapes and Theoretical Second Moments for Hydrogen in Hexagonal Ice},
1398 Volume = {46},
1399 Year = {1967}}
1400
1401 @article{Peterson57,
1402 Author = {S. W. Peterson and H. A. Levy},
1403 Date-Added = {2013-01-25 22:16:38 +0000},
1404 Date-Modified = {2013-07-12 19:44:32 +0000},
1405 Journal = {Acta Cryst.},
1406 Pages = {70-76},
1407 Title = {A Single-Crystal Neutron Diffraction Study of Heavy Ice},
1408 Volume = {10},
1409 Year = {1957}}
1410
1411 @article{Huler76,
1412 Author = {E. Huler and A. Zunger},
1413 Date-Added = {2013-01-25 22:12:37 +0000},
1414 Date-Modified = {2013-07-12 19:43:25 +0000},
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1565 @article{Bryk04b,
1566 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.},
1567 Author = {Bryk, Taras and Haymet, A.D.J.},
1568 Date-Modified = {2014-12-04 18:01:49 +0000},
1569 Doi = {doi:10.1080/0892702031000152172},
1570 Journal = {Molecular Simulation},
1571 Keyword = {Ice, Melting temperature, Phase diagram, Water},
1572 Number = {2-1},
1573 Pages = {131-135},
1574 Title = {The Ice/Water Interface: Density-Temperature Phase Diagram for the SPC/E Model of Liquid Water},
1575 Url = {http://www.ingentaconnect.com/content/tandf/gmos/2004/00000030/F0020002/art00009},
1576 Volume = {30},
1577 Year = {2004},
1578 Bdsk-Url-1 = {http://www.ingentaconnect.com/content/tandf/gmos/2004/00000030/F0020002/art00009},
1579 Bdsk-Url-2 = {http://dx.doi.org/10.1080/0892702031000152172}}