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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 Dan Gezelter at 2014-12-15 10:40:29 -0500
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8 %% Saved with string encoding Unicode (UTF-8)
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10
11
12 @article{Ho:2011zr,
13 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.},
14 Author = {Ho, Tuan Anh and Papavassiliou, Dimitrios V. and Lee, Lloyd L. and Striolo, Alberto},
15 Date-Added = {2014-12-15 15:24:31 +0000},
16 Date-Modified = {2014-12-15 15:24:33 +0000},
17 Doi = {10.1073/pnas.1105189108},
18 Eprint = {http://www.pnas.org/content/108/39/16170.full.pdf+html},
19 Journal = {Proceedings of the National Academy of Sciences},
20 Number = {39},
21 Pages = {16170-16175},
22 Title = {Liquid water can slip on a hydrophilic surface},
23 Url = {http://www.pnas.org/content/108/39/16170.abstract},
24 Volume = {108},
25 Year = {2011},
26 Bdsk-Url-1 = {http://www.pnas.org/content/108/39/16170.abstract},
27 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.1105189108}}
28
29 @article{Bouzigues:2008ys,
30 Author = {Bouzigues, C. and Tabeling, P. and Bocquet, L.},
31 Date-Added = {2014-12-15 15:17:45 +0000},
32 Date-Modified = {2014-12-15 15:17:47 +0000},
33 Doi = {10.1103/PhysRevLett.101.114503},
34 Issue = {11},
35 Journal = {Phys. Rev. Lett.},
36 Month = {Sep},
37 Numpages = {4},
38 Pages = {114503},
39 Publisher = {American Physical Society},
40 Title = {Nanofluidics in the Debye Layer at Hydrophilic and Hydrophobic Surfaces},
41 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.101.114503},
42 Volume = {101},
43 Year = {2008},
44 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.101.114503},
45 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.101.114503}}
46
47 @article{Lasne:2008vn,
48 Author = {Lasne, D. and Maali, A. and Amarouchene, Y. and Cognet, L. and Lounis, B. and Kellay, H.},
49 Date-Added = {2014-12-15 15:15:12 +0000},
50 Date-Modified = {2014-12-15 15:15:13 +0000},
51 Doi = {10.1103/PhysRevLett.100.214502},
52 Issue = {21},
53 Journal = {Phys. Rev. Lett.},
54 Month = {May},
55 Numpages = {4},
56 Pages = {214502},
57 Publisher = {American Physical Society},
58 Title = {Velocity Profiles of Water Flowing Past Solid Glass Surfaces Using Fluorescent Nanoparticles and Molecules as Velocity Probes},
59 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.100.214502},
60 Volume = {100},
61 Year = {2008},
62 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.100.214502},
63 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.100.214502}}
64
65 @article{Schaeffel:2013kx,
66 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},
67 Date-Added = {2014-12-15 15:13:13 +0000},
68 Date-Modified = {2014-12-15 15:13:15 +0000},
69 Doi = {10.1103/PhysRevE.87.051001},
70 Issue = {5},
71 Journal = {Phys. Rev. E},
72 Month = {May},
73 Numpages = {4},
74 Pages = {051001},
75 Publisher = {American Physical Society},
76 Title = {Hydrodynamic boundary condition of water on hydrophobic surfaces},
77 Url = {http://link.aps.org/doi/10.1103/PhysRevE.87.051001},
78 Volume = {87},
79 Year = {2013},
80 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.87.051001},
81 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.87.051001}}
82
83 @article{Sendner:2009uq,
84 Author = {Sendner, Christian and Horinek, Dominik and Bocquet, Lyderic and Netz, Roland R.},
85 Date-Added = {2014-12-15 14:58:24 +0000},
86 Date-Modified = {2014-12-15 14:58:24 +0000},
87 Doi = {10.1021/la901314b},
88 Eprint = {http://dx.doi.org/10.1021/la901314b},
89 Journal = {Langmuir},
90 Note = {PMID: 19591481},
91 Number = {18},
92 Pages = {10768-10781},
93 Title = {Interfacial Water at Hydrophobic and Hydrophilic Surfaces: Slip, Viscosity, and Diffusion},
94 Url = {http://dx.doi.org/10.1021/la901314b},
95 Volume = {25},
96 Year = {2009},
97 Bdsk-Url-1 = {http://dx.doi.org/10.1021/la901314b}}
98
99 @article{Fennell:2005fk,
100 Author = {Fennell, Christopher J. and Gezelter, J. Daniel},
101 Date-Added = {2014-12-11 16:43:07 +0000},
102 Date-Modified = {2014-12-11 16:43:07 +0000},
103 Doi = {10.1021/ct050005s},
104 Eprint = {http://dx.doi.org/10.1021/ct050005s},
105 Journal = {Journal of Chemical Theory and Computation},
106 Number = {4},
107 Pages = {662-667},
108 Title = {Computational Free Energy Studies of a New Ice Polymorph Which Exhibits Greater Stability than Ice Ih},
109 Url = {http://dx.doi.org/10.1021/ct050005s},
110 Volume = {1},
111 Year = {2005},
112 Bdsk-Url-1 = {http://dx.doi.org/10.1021/ct050005s}}
113
114 @article{Young05,
115 Author = {T. Young},
116 Date-Added = {2014-12-10 22:18:00 +0000},
117 Date-Modified = {2014-12-10 22:18:37 +0000},
118 Journal = {Phil. Trans. R. Soc. Lond.},
119 Pages = {65-87},
120 Title = {An Essay on the Cohesion of Fluids},
121 Volume = {95},
122 Year = {1805}}
123
124 @article{Koishi09,
125 Author = {Koishi, Takahiro and Yasuoka, Kenji and Fujikawa, Shigenori and Ebisuzaki, Toshikazu and Zeng, Xiao Cheng},
126 Date-Added = {2014-12-10 22:10:55 +0000},
127 Date-Modified = {2014-12-10 22:12:14 +0000},
128 Journal = {PNAS},
129 Keywords = {nano, contact angle, pillars, surface},
130 Pages = {8435-8440},
131 Title = {Coexistence and transition between Cassie and Wenzel state on pillared hydrophobic surface},
132 Volume = {106},
133 Year = {2009}}
134
135 @article{Molinero09,
136 Author = {Valeria Molinero and Emily B. Moore},
137 Date-Added = {2014-12-09 20:32:05 +0000},
138 Date-Modified = {2014-12-09 20:32:58 +0000},
139 Journal = {J. Phys. Chem. B.},
140 Keywords = {water model, mW model},
141 Pages = {4008-4016},
142 Title = {Water Modeled As an Intermediate Element between Carbon and Sillicon},
143 Volume = {113},
144 Year = {2009}}
145
146 @article{Garcia-Fernandez:2006pb,
147 Author = {Garc{\'\i}a Fern{\'a}ndez, Ram{\'o}n and Abascal, Jos{\'e} L. F. and Vega, Carlos},
148 Date-Added = {2014-12-09 19:23:55 +0000},
149 Date-Modified = {2014-12-09 19:23:55 +0000},
150 Doi = {http://dx.doi.org/10.1063/1.2183308},
151 Eid = 144506,
152 Journal = {The Journal of Chemical Physics},
153 Number = {14},
154 Pages = {-},
155 Title = {The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface},
156 Url = {http://scitation.aip.org/content/aip/journal/jcp/124/14/10.1063/1.2183308},
157 Volume = {124},
158 Year = {2006},
159 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/124/14/10.1063/1.2183308},
160 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2183308}}
161
162 @article{Hirvi06,
163 Author = {Janne T. Hirvi and Tapani A. Pakkanen},
164 Date-Added = {2014-12-08 21:57:42 +0000},
165 Date-Modified = {2014-12-08 21:59:15 +0000},
166 Journal = {J. Chem. Phys.},
167 Keywords = {contact angle},
168 Pages = {144712},
169 Title = {Molecular dynamics simulations of water droplets on polymer surfaces},
170 Volume = {125},
171 Year = {2006}}
172
173 @article{Hautman91,
174 Author = {Joseph Hautman and Michael L. Klein},
175 Date-Added = {2014-12-08 21:55:44 +0000},
176 Date-Modified = {2014-12-08 21:57:40 +0000},
177 Journal = {Phys. Rev. Lett.},
178 Keywords = {contact angle},
179 Number = {13},
180 Pages = {1763-1766},
181 Title = {Microscopic Wetting Phenomena},
182 Volume = {67},
183 Year = {1991}}
184
185 @article{Ruijter99,
186 Author = {M. J. de Ruijter and T. D. Blake and J. De Coninck},
187 Date-Added = {2014-12-08 19:46:25 +0000},
188 Date-Modified = {2014-12-08 19:47:33 +0000},
189 Journal = {Langmuir},
190 Keywords = {contact angle},
191 Pages = {7836-7847},
192 Title = {Dynamic Wetting Studied by Molecular Modeling Simulations of Droplet Spreading},
193 Volume = {15},
194 Year = {1999}}
195
196 @article{Ritchie12,
197 Author = {John A. Ritchie and Jamileh Seyed Yazdi and Dusan Bratko and Alenka Luzar},
198 Date-Added = {2014-12-05 19:20:33 +0000},
199 Date-Modified = {2014-12-05 19:21:36 +0000},
200 Journal = {J. Phys. Chem. C},
201 Keywords = {surface, contact angle, electrowetting},
202 Pages = {8634-8641},
203 Title = {Metastable Sessile Nanodroplets on Nanopatterned Surfaces},
204 Volume = {116},
205 Year = {2012}}
206
207 @article{Daub11,
208 Author = {Christopher D. Daub and Dusan Bratko and Alenka Luzar},
209 Date-Added = {2014-12-05 19:19:04 +0000},
210 Date-Modified = {2014-12-05 19:20:29 +0000},
211 Journal = {J. Phys. Chem. C},
212 Keywords = {surface, contact angle, electrowetting},
213 Pages = {22393-22399},
214 Title = {Electric control of wetting by salty nanodrops: molecular dynamics simulations},
215 Volume = {115},
216 Year = {2011}}
217
218 @article{Daub10,
219 Author = {Christopher D. Daub and Jihang Wang and Shobhit Kudesia and Dusan Bratko and Alenka Luzar},
220 Date-Added = {2014-12-05 19:17:45 +0000},
221 Date-Modified = {2014-12-05 19:19:00 +0000},
222 Journal = {Faraday Discussions},
223 Keywords = {contact angle, surface, electrowetting},
224 Pages = {67-77},
225 Title = {The influence of molecular-scale roughness on the surface spreading of an aqueous nanodrop},
226 Volume = {146},
227 Year = {2010}}
228
229 @article{Daub07,
230 Author = {Christopher D. Daub and Dusan Bratko and Kevin Leung and Alenka Luzar},
231 Date-Added = {2014-12-05 19:16:05 +0000},
232 Date-Modified = {2014-12-05 19:17:33 +0000},
233 Journal = {J. Phys. Chem. C. Lett.},
234 Keywords = {contact angle, surface, electrowetting},
235 Pages = {505-509},
236 Title = {Electrowetting at the Nanoscale},
237 Volume = {111},
238 Year = {2007}}
239
240 @article{Manukyan11,
241 Author = {G. Manukyan and J. M. Oh and D. van den Ende and R. G. H. Lammertink and F. Mugele},
242 Date-Added = {2014-12-05 19:06:11 +0000},
243 Date-Modified = {2014-12-05 19:08:49 +0000},
244 Journal = {Phys. Rev. Lett.},
245 Keywords = {experimental, surface, contact angle, electrowetting},
246 Pages = {014501},
247 Title = {Electric switching of wetting states on superhydrophobic surfaces: a route towards reversible Cassie-to-Wenzel transitions},
248 Volume = {106},
249 Year = {2011}}
250
251 @article{Dhindsa06,
252 Author = {M. S. Dhindsa and N. R. Smith and J. Heikenfeld},
253 Date-Added = {2014-12-05 18:08:22 +0000},
254 Date-Modified = {2014-12-05 18:09:22 +0000},
255 Journal = {Langmuir},
256 Keywords = {experimental, surface, contact angle, electrowetting},
257 Pages = {9030-9034},
258 Title = {Reversible electrowetting of vertically aligned superhydrophobic carbon nanofibers},
259 Volume = {22},
260 Year = {2006}}
261
262 @article{Herbertson06,
263 Author = {D. L. Herbertson and C. R. Evans and N. J. Shirtcliffe and G. McHale and M. I. Newton},
264 Date-Added = {2014-12-05 18:06:20 +0000},
265 Date-Modified = {2014-12-05 18:08:17 +0000},
266 Journal = {Sensors and Actuators A},
267 Keywords = {experimental, surface, contact angle, electrowetting},
268 Pages = {189-193},
269 Title = {Electrowetting on superhydrophobic SU-8 patterned surfaces},
270 Volume = {130-131},
271 Year = {2006}}
272
273 @article{Verplanck07,
274 Author = {N. Verplanck and E. Galopin and J.-C. Camart and V. Thomy},
275 Date-Added = {2014-12-05 18:04:34 +0000},
276 Date-Modified = {2014-12-05 18:06:11 +0000},
277 Journal = {Nano Letters},
278 Keywords = {experimental,surface, contact angle, electrowetting},
279 Number = {3},
280 Pages = {813-817},
281 Title = {Reversible electrowetting on superhydrophobic silicon nanowires},
282 Volume = {7},
283 Year = {2007}}
284
285 @article{Sun04,
286 Author = {T. Sun and G. Wang and L. Feng and B. Liu and Y. Ma and L. Jiang and D. Zhu},
287 Date-Added = {2014-12-05 18:01:24 +0000},
288 Date-Modified = {2014-12-05 18:03:03 +0000},
289 Journal = {Angew. Chem. Int. Ed.},
290 Keywords = {experimental, contact angle, surface},
291 Pages = {357-360},
292 Title = {Reversible switching between superhydrophilicity and superhydrophobicity},
293 Volume = {43},
294 Year = {2004}}
295
296 @article{Liu04,
297 Author = {H. Liu and L. Feng and J. Zhai and L. Jiang and D. Zhu},
298 Date-Added = {2014-12-05 17:59:40 +0000},
299 Date-Modified = {2014-12-05 18:01:15 +0000},
300 Journal = {Langmuir},
301 Keywords = {experimental, surface, contact angle},
302 Pages = {5659-5661},
303 Title = {Reversible wettability of a chemical vapor deposition prepared ZnO film between superhydrophobicity and superhydrophilicty},
304 Volume = {20},
305 Year = {2004}}
306
307 @article{Tadanaga00,
308 Author = {K. Tadanada and J. Morinaga and A. Matsuda and T. Minami},
309 Date-Added = {2014-12-05 17:56:24 +0000},
310 Date-Modified = {2014-12-05 17:58:00 +0000},
311 Journal = {Chem. Matter.},
312 Keywords = {experimental, contact angle, surface},
313 Pages = {590-592},
314 Title = {Superhyrophobic-Superhydrophilic Micropatterning on Flowerlike Alumina Coating Film by the Sol-Gel Method},
315 Volume = {12},
316 Year = {2000}}
317
318 @article{Ahuja08,
319 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},
320 Date-Added = {2014-12-05 17:48:19 +0000},
321 Date-Modified = {2014-12-05 17:50:42 +0000},
322 Journal = {Langmuir},
323 Keywords = {experimental, contact angle, nano, surface},
324 Pages = {9-14},
325 Title = {Nanonails: A Simple Geometric Approach to Electrically Tunable Superlyophobic Surfaces},
326 Volume = {24},
327 Year = {2008}}
328
329 @article{Sazaki12,
330 Author = {Sazaki, G. and Zepeda, S. and Nakatsubo, S. and Yokomine, M. and Furukawa, Y.},
331 Date-Added = {2014-12-04 22:09:50 +0000},
332 Date-Modified = {2014-12-04 22:11:05 +0000},
333 Journal = {PNAS},
334 Keywords = {QLL, crystal surface},
335 Number = {4},
336 Pages = {1052-1055},
337 Title = {Quasi-liquid layers on ice crystal surfaces are made up of two different phases},
338 Volume = {109},
339 Year = {2012}}
340
341 @article{Sazaki10,
342 Author = {Sazaki, G. and Zepeda, S. and Nakatsubo, S. and Yokoyama, E. and Furukawa, Y.},
343 Date-Added = {2014-12-04 22:07:48 +0000},
344 Date-Modified = {2014-12-04 22:09:47 +0000},
345 Journal = {PNAS},
346 Keywords = {QLL, microscopy, crystal surface},
347 Number = {46},
348 Pages = {19702-19707},
349 Title = {Elementary steps at the surface of ice crystals visualized by advanced optical microscopy},
350 Volume = {107},
351 Year = {2010}}
352
353 @article{Nada11b,
354 Author = {H. Nada},
355 Date-Added = {2014-12-04 20:55:30 +0000},
356 Date-Modified = {2014-12-04 20:56:52 +0000},
357 Journal = {Crystal growth \& design},
358 Keywords = {Crystal growth},
359 Number = {7},
360 Pages = {3130-3136},
361 Title = {Analysis of ice crystal growth shape under high pressure using molecular dynamics simulation},
362 Volume = {11},
363 Year = {2011}}
364
365 @article{Nada08,
366 Author = {H. Nada and Y. Furukawa},
367 Date-Added = {2014-12-04 20:24:34 +0000},
368 Date-Modified = {2014-12-04 20:25:49 +0000},
369 Journal = {J. Phys. Chem. B.},
370 Keywords = {Antifreeze proteins},
371 Pages = {7111-7119},
372 Title = {Growth inhibition mechanism of an ice-water interface by a mutant of winter flounder antifreeze protein: A molecular dynamics study},
373 Volume = {112},
374 Year = {2008}}
375
376 @article{Nada11,
377 Author = {H. Nada and Y. Furukawa},
378 Date-Added = {2014-12-04 20:20:34 +0000},
379 Date-Modified = {2014-12-04 20:21:48 +0000},
380 Journal = {PCCP},
381 Keywords = {Antifreeze proteins},
382 Pages = {19936-19942},
383 Title = {Growth inhibition at the ice prismatic plane induced by a spruce budworm antifreeze protein: a molecular dynamics simulation study},
384 Volume = {13},
385 Year = {2011}}
386
387 @article{Vrbka07,
388 Author = {Vrbka, L. and Jungwirth, P.},
389 Date-Added = {2014-12-04 19:16:47 +0000},
390 Date-Modified = {2014-12-04 19:18:30 +0000},
391 Journal = {Journal of Molecular Liquids},
392 Keywords = {SPC/E, melting point, salt, NaCl},
393 Pages = {64-70},
394 Title = {Molecular dynamics simulations of freezing of water and salt solutions},
395 Volume = {134},
396 Year = {2007}}
397
398 @article{Fernandez06,
399 Author = {Garcia Fernandec, R. and Abascal, J. L. F. and Vega, C.},
400 Date-Added = {2014-12-04 19:02:51 +0000},
401 Date-Modified = {2014-12-04 19:04:36 +0000},
402 Journal = {J. Chem. Phys.},
403 Keywords = {melting point, SPC/E, TIP4P, TIP4P-Ew, TIP4P/Ice, TIP4P/2005, TIP5P, TIP5P-Ew},
404 Pages = {144506},
405 Title = {The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface},
406 Volume = {124},
407 Year = {2006}}
408
409 @article{Sanz04b,
410 Author = {E. Sanz and C. Vega and J. L. F. Abascal and L. G. MacDowell},
411 Date-Added = {2014-12-04 18:59:12 +0000},
412 Date-Modified = {2014-12-05 19:30:52 +0000},
413 Journal = {Phys. Rev. Lett.},
414 Keywords = {SPC/E, TIP4P, phase diagram},
415 Number = {25},
416 Pages = {255701},
417 Title = {Phase Diagram of Water from Computer Simulation},
418 Volume = {92},
419 Year = {2004}}
420
421 @article{Abascal07,
422 Author = {Abascal, J. L. F. and Garcia Fernandec, R. and MacDowell, L. G. and Sanz, E. and Vega, C.},
423 Date-Added = {2014-12-04 18:28:27 +0000},
424 Date-Modified = {2014-12-04 18:31:09 +0000},
425 Journal = {Journal of Molecular Liquids},
426 Keywords = {SPC, SPC/E, TIP4P, TIP4P/Ice, TIP4P/2005, melting point},
427 Pages = {214},
428 Title = {Ice: A fruitful source of information about liquid water},
429 Volume = {136},
430 Year = {2007}}
431
432 @article{Koyama04,
433 Author = {Koyama, Yuji and Tanaka, Hideki and Gao, Gunangtu and Zeng, X. C.},
434 Date-Added = {2014-12-04 18:23:38 +0000},
435 Date-Modified = {2014-12-04 18:25:40 +0000},
436 Journal = {J. Chem. Phys.},
437 Keywords = {TIP4P, TIP5P, melting point},
438 Pages = {7926},
439 Title = {Melting points and thermal expansitivities of proton-disordered hexangonal ice with several model potentials},
440 Volume = {121},
441 Year = {2004}}
442
443 @article{Wang05,
444 Author = {Wang, J. and Yoo, S. and Bai, J. and Morris, James R. and Zeng, X. C.},
445 Date-Added = {2014-12-04 18:20:24 +0000},
446 Date-Modified = {2014-12-04 18:22:11 +0000},
447 Journal = {J. Chem. Phys.},
448 Keywords = {TIP4P, TIP5P, TIP4P-Ew, TIP5P-Ew, melting point,},
449 Pages = {036101},
450 Title = {Melting temperature of ice Ih calculated from coexisting solid-liquid phases},
451 Volume = {123},
452 Year = {2005}}
453
454 @article{Gao00,
455 Author = {Gao, G. T. and Zeng, X. C.},
456 Date-Added = {2014-12-04 18:17:33 +0000},
457 Date-Modified = {2014-12-04 18:19:06 +0000},
458 Journal = {J. Chem. Phys.},
459 Keywords = {TIP4P, melting point},
460 Pages = {8534},
461 Title = {The melting temperature of proton-disordered hexagonal ice: A computer simulation of 4-site transferable intermolecular potential model of water},
462 Volume = {112},
463 Year = {2000}}
464
465 @article{Abascal05b,
466 Author = {Abascal, J. L. F. and Sanz, E. and Garcia Fernandec, R. and Vega, C.},
467 Date-Added = {2014-12-04 17:33:13 +0000},
468 Date-Modified = {2014-12-04 17:34:28 +0000},
469 Journal = {J. Chem. Phys.},
470 Keywords = {TIP4P/Ice, water model, ice model},
471 Pages = {234511},
472 Title = {A potential model for the study of ices and amorphous water: TIP4P/Ice},
473 Volume = {122},
474 Year = {2005}}
475
476 @article{Abascal05,
477 Author = {Abascal, J. L. F. and Vega, C.},
478 Date-Added = {2014-12-04 17:31:39 +0000},
479 Date-Modified = {2014-12-04 17:32:47 +0000},
480 Journal = {J. Chem. Phys.},
481 Keywords = {TIP4P/2005, water model},
482 Pages = {234505},
483 Title = {A general purpose model for the condensed phases of water: TIP4P/2005},
484 Volume = {123},
485 Year = {2005}}
486
487 @article{Jorgensen85,
488 Author = {Jorgensen, W. L. and Madura, J. D.},
489 Date-Added = {2014-12-04 17:28:22 +0000},
490 Date-Modified = {2014-12-04 17:30:26 +0000},
491 Journal = {Mol. Phys.},
492 Pages = {1381-1392},
493 Title = {Temperature and size dependence for monte carlo simulations of TIP4P water},
494 Volume = {56},
495 Year = {1985}}
496
497 @article{Berendsen81,
498 Author = {Berendsen, H. J. C. and Postma, J. P. M and van Gunsteren, W. F. and Hermans, J.},
499 Date-Added = {2014-12-04 17:24:52 +0000},
500 Date-Modified = {2014-12-10 22:31:51 +0000},
501 Journal = {Intermolecular Forces},
502 Pages = {331},
503 Title = {Interaction models for water in relation to protein hydration},
504 Year = {1981}}
505
506 @article{Bell08,
507 Author = {Bell, Robin E.},
508 Date-Added = {2014-12-04 16:42:53 +0000},
509 Date-Modified = {2014-12-04 16:44:20 +0000},
510 Journal = {Nature Geoscience},
511 Keywords = {ice-water friction},
512 Pages = {297-304},
513 Title = {The role of subglacial water in ice-sheet mass balance},
514 Volume = {1},
515 Year = {2008}}
516
517 @article{Cuffey99,
518 Author = {Cuffey, K. M. and Conway, H. and Hallet, B. and Gades, A. M. and Raymond, C. F.},
519 Date-Added = {2014-12-04 16:22:37 +0000},
520 Date-Modified = {2014-12-04 16:40:21 +0000},
521 Journal = {Geophysical Research Letters},
522 Keywords = {ice-water friction},
523 Pages = {751-754},
524 Title = {Interfacial water in polar glaciers and glacier sliding at -17 C},
525 Volume = {26},
526 Year = {1999}}
527
528 @article{Lishman13,
529 Author = {Lishman, B. and Sammonds, P. R. and Feltham, D. L.},
530 Date-Added = {2014-12-04 15:49:46 +0000},
531 Date-Modified = {2014-12-04 22:46:37 +0000},
532 Journal = {Cold Regions Science and Technology},
533 Keywords = {ice-ice friction},
534 Pages = {9-13},
535 Title = {Critical slip and time dependence in sea ice friction},
536 Volume = {90-91},
537 Year = {2013}}
538
539 @article{Pritchard12,
540 Author = {Pritchard, R. S. and Knoke, G. S. and Echert, D. C. "Skip"},
541 Date-Added = {2014-12-04 15:42:01 +0000},
542 Date-Modified = {2014-12-04 15:44:47 +0000},
543 Journal = {Cold Regions Science and Technology},
544 Keywords = {ice-ice friction},
545 Pages = {8-16},
546 Title = {Sliding friction of sea ice blocks},
547 Volume = {76-77},
548 Year = {2012}}
549
550 @article{Sukhorukov13,
551 Author = {Sukhorukov, S. and Loset, S.},
552 Date-Added = {2014-12-04 15:39:43 +0000},
553 Date-Modified = {2014-12-04 15:41:18 +0000},
554 Journal = {Cold Regions Science and Technology},
555 Keywords = {ice-ice friction},
556 Pages = {1-12},
557 Title = {Friction of sea ice on sea ice},
558 Volume = {94},
559 Year = {2013}}
560
561 @article{Casassa91,
562 Author = {Casassa, G. and Narita, H. and Maeno, N.},
563 Date-Added = {2014-12-04 15:36:55 +0000},
564 Date-Modified = {2014-12-04 15:39:02 +0000},
565 Journal = {J. Appl. Phys.},
566 Keywords = {ice-ice friction},
567 Number = {6},
568 Pages = {3745},
569 Title = {Shear cell experiments of snow and ice friction},
570 Volume = {69},
571 Year = {1991}}
572
573 @article{Golding10,
574 Author = {N. Golding, E. M. Schulson, C. E. Renshaw},
575 Date-Added = {2014-12-04 15:28:06 +0000},
576 Date-Modified = {2014-12-04 15:29:04 +0000},
577 Journal = {Acta Materialia},
578 Pages = {5043-5056},
579 Title = {Shear faulting and localized heating in ice: The influence of confinement},
580 Volume = {58},
581 Year = {2010}}
582
583 @article{Samadashvili13,
584 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.},
585 Author = {N. Samadashvili and B. Reischl and T. Hynninen and T. Ala-Nissila and A. S. Foster},
586 Date-Added = {2014-12-04 14:55:07 +0000},
587 Date-Modified = {2014-12-05 19:29:39 +0000},
588 Journal = {Friction},
589 Keywords = {ice friction},
590 Pages = {242-251},
591 Title = {Atomistic simulations of friction at an ice-ice interface},
592 Volume = {1},
593 Year = {2013}}
594
595 @article{Sanz04,
596 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. },
597 Author = {E. Sanz and C. Vega and J. L. F. Abascal and L. G. MacDowell},
598 Date-Added = {2014-11-25 17:32:43 +0000},
599 Date-Modified = {2014-12-05 19:30:08 +0000},
600 Journal = {J. Chem. Phys.},
601 Keywords = {Ice, phase diagram, TIP4P, TIP5P},
602 Number = {2},
603 Pages = {1165},
604 Title = {Tracing the phase diagram of the gour-site water potential (TIP4P)},
605 Volume = {121},
606 Year = {2004}}
607
608 @article{Zhang14,
609 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.},
610 Author = {Xiang-Xiong, Min Chen, Ming Fu},
611 Date-Added = {2014-11-21 19:45:57 +0000},
612 Date-Modified = {2014-11-21 19:49:05 +0000},
613 Journal = {J. Chem. Phys.},
614 Pages = {124709},
615 Title = {Impact of surface nanostructure on ice nucleation},
616 Volume = {141},
617 Year = {2014}}
618
619 @article{Conde08,
620 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. },
621 Author = {M. M. Conde, C. Vega, A. Patrykiejew},
622 Date-Added = {2014-11-21 19:16:18 +0000},
623 Date-Modified = {2014-12-04 22:38:15 +0000},
624 Journal = {J. Chem. Phys.},
625 Keywords = {QLL},
626 Pages = {014702-1},
627 Title = {The thickness of a liquid layer on the free surface of ice as obtained from computer simulation},
628 Volume = {129},
629 Year = {2008}}
630
631 @article{Limmer14,
632 Author = {David T. Limmer and David Chandler},
633 Date-Added = {2014-11-19 19:31:03 +0000},
634 Date-Modified = {2014-12-04 22:47:00 +0000},
635 Journal = {J. Chem. Phys.},
636 Keywords = {QLL, mW model},
637 Pages = {18C505-1},
638 Title = {Premelting, fluctuations, and coarse-graining of water-ice interface},
639 Volume = {141},
640 Year = {2014}}
641
642 @article{Louden13,
643 Author = {Louden, Patrick B. and Gezelter, J. Daniel},
644 Date-Added = {2014-06-24 14:10:37 +0000},
645 Date-Modified = {2014-06-24 14:10:53 +0000},
646 Doi = {http://dx.doi.org/10.1063/1.4832378},
647 Eid = 194710,
648 Journal = {The Journal of Chemical Physics},
649 Number = {19},
650 Pages = {-},
651 Title = {Simulations of solid-liquid friction at ice-Ih/water interfaces},
652 Url = {http://scitation.aip.org/content/aip/journal/jcp/139/19/10.1063/1.4832378},
653 Volume = {139},
654 Year = {2013},
655 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/139/19/10.1063/1.4832378},
656 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4832378}}
657
658 @article{Beaglehole93,
659 Author = {Beaglehole, D. and Wilson, P.},
660 Date-Added = {2013-09-10 14:24:51 +0000},
661 Date-Modified = {2013-09-10 14:24:58 +0000},
662 Doi = {10.1021/j100144a025},
663 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100144a025},
664 Journal = {The Journal of Physical Chemistry},
665 Number = {42},
666 Pages = {11053-11055},
667 Title = {Thickness and anisotropy of the ice-water interface},
668 Url = {http://pubs.acs.org/doi/abs/10.1021/j100144a025},
669 Volume = {97},
670 Year = {1993},
671 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100144a025},
672 Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100144a025}}
673
674 @article{Bryk02,
675 Author = {Taras Bryk and A. D. J. Haymet},
676 Date-Added = {2013-09-10 14:23:32 +0000},
677 Date-Modified = {2013-09-10 14:23:42 +0000},
678 Doi = {10.1063/1.1519538},
679 Journal = {The Journal of Chemical Physics},
680 Keywords = {liquid structure; molecular dynamics method; water; ice; interface structure},
681 Number = {22},
682 Pages = {10258-10268},
683 Publisher = {AIP},
684 Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
685 Url = {http://link.aip.org/link/?JCP/117/10258/1},
686 Volume = {117},
687 Year = {2002},
688 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/117/10258/1},
689 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1519538}}
690
691 @article{Gay02,
692 Author = {S. C. Gay and E. J. Smith and A. D. J. Haymet},
693 Date-Added = {2013-09-10 14:22:50 +0000},
694 Date-Modified = {2013-09-10 14:22:54 +0000},
695 Doi = {10.1063/1.1471556},
696 Journal = {The Journal of Chemical Physics},
697 Keywords = {ice; melting; molecular dynamics method; crystal structure; digital simulation},
698 Number = {20},
699 Pages = {8876-8880},
700 Publisher = {AIP},
701 Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
702 Url = {http://link.aip.org/link/?JCP/116/8876/1},
703 Volume = {116},
704 Year = {2002},
705 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/116/8876/1},
706 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1471556}}
707
708 @article{Duman:2001qy,
709 Author = {Duman, John G},
710 Date-Added = {2013-09-10 14:21:59 +0000},
711 Date-Modified = {2013-09-10 14:22:07 +0000},
712 Doi = {10.1146/annurev.physiol.63.1.327},
713 Eprint = {http://www.annualreviews.org/doi/pdf/10.1146/annurev.physiol.63.1.327},
714 Journal = {Annual Review of Physiology},
715 Note = {PMID: 11181959},
716 Number = {1},
717 Pages = {327-357},
718 Title = {ANTIFREEZE AND ICE NUCLEATOR PROTEINS IN TERRESTRIAL ARTHROPODS},
719 Url = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physiol.63.1.327},
720 Volume = {63},
721 Year = {2001},
722 Bdsk-Url-1 = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physiol.63.1.327},
723 Bdsk-Url-2 = {http://dx.doi.org/10.1146/annurev.physiol.63.1.327}}
724
725 @article{Chapsky97,
726 Author = {Chapsky, Lars and Rubinsky, Boris},
727 Date = {1997/07/21},
728 Date-Added = {2013-09-10 14:21:02 +0000},
729 Date-Modified = {2013-09-10 14:21:09 +0000},
730 Id = {S0014-5793(97)00787-4},
731 Isbn = {0014-5793},
732 Journal = {FEBS letters},
733 Journal1 = {FEBS letters},
734 Journal2 = {FEBS Lett},
735 Keywords = {Antifreeze proteins; Protein adsorption; Temperature gradient thermometry; Ice},
736 Month = {07},
737 Number = {1},
738 Pages = {241--244},
739 Publisher = {Elsevier Science B.V.},
740 Title = {Kinetics of antifreeze protein-induced ice growth inhibition},
741 Ty = {ABST},
742 Url = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true},
743 Volume = {412},
744 Year = {1997},
745 Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true}}
746
747 @article{Weber83,
748 Annote = {doi: 10.1021/j100244a057},
749 Author = {Weber, Thomas A. and Stillinger, Frank H.},
750 Booktitle = {The Journal of Physical Chemistry},
751 Da = {1983/10/01},
752 Date = {1983/10/01},
753 Date-Added = {2013-09-10 14:20:08 +0000},
754 Date-Modified = {2013-09-10 14:20:17 +0000},
755 Doi = {10.1021/j100244a057},
756 Isbn = {0022-3654},
757 Journal = {The Journal of Physical Chemistry},
758 Journal1 = {J. Phys. Chem.},
759 M3 = {doi: 10.1021/j100244a057},
760 Month = {2013/09/10},
761 Number = {21},
762 Pages = {4277--4281},
763 Publisher = {American Chemical Society},
764 Title = {Molecular dynamics study of ice crystallite melting},
765 Ty = {JOUR},
766 Url = {http://dx.doi.org/10.1021/j100244a057},
767 Volume = {87},
768 Year = {1983},
769 Year1 = {1983},
770 Bdsk-Url-1 = {http://dx.doi.org/10.1021/j100244a057}}
771
772 @article{Han92,
773 Author = {Han, K. and Hale, B. N.},
774 Date-Added = {2013-09-10 14:19:03 +0000},
775 Date-Modified = {2013-09-10 14:19:07 +0000},
776 Doi = {10.1103/PhysRevB.45.29},
777 Issue = {1},
778 Journal = {Phys. Rev. B},
779 Month = {Jan},
780 Pages = {29--35},
781 Publisher = {American Physical Society},
782 Title = {Monte Carlo study of a simple model bulk-ice-Ih system: \textit{P} - \textit{T} melting behavior at constant volume},
783 Url = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
784 Volume = {45},
785 Year = {1992},
786 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
787 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.45.29}}
788
789 @article{Hayward02,
790 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.},
791 Author = {Hayward, Jennifer A. and Haymet, A. D. J.},
792 Date-Added = {2013-09-10 14:18:04 +0000},
793 Date-Modified = {2013-09-10 14:18:11 +0000},
794 Doi = {10.1039/B202039D},
795 Issue = {15},
796 Journal = {Phys. Chem. Chem. Phys.},
797 Pages = {3712-3719},
798 Publisher = {The Royal Society of Chemistry},
799 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},
800 Url = {http://dx.doi.org/10.1039/B202039D},
801 Volume = {4},
802 Year = {2002},
803 Bdsk-Url-1 = {http://dx.doi.org/10.1039/B202039D}}
804
805 @article{Nada95,
806 Author = {Hiroki Nada and Yoshinori Furukawa},
807 Date-Added = {2013-09-10 14:16:57 +0000},
808 Date-Modified = {2013-09-10 14:17:03 +0000},
809 Doi = {10.1143/JJAP.34.583},
810 Journal = {Japanese Journal of Applied Physics},
811 Number = {Part 1, No. 2A},
812 Numpages = {5},
813 Pages = {583-588},
814 Publisher = {The Japan Society of Applied Physics},
815 Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
816 Url = {http://jjap.jsap.jp/link?JJAP/34/583/},
817 Volume = {34},
818 Year = {1995},
819 Bdsk-Url-1 = {http://jjap.jsap.jp/link?JJAP/34/583/},
820 Bdsk-Url-2 = {http://dx.doi.org/10.1143/JJAP.34.583}}
821
822 @article{Nada12,
823 Author = {Nada, Hiroki and Furukawa, Yoshinori},
824 Date = {2012/07//print},
825 Date-Added = {2013-09-10 14:15:54 +0000},
826 Date-Modified = {2013-09-10 14:16:01 +0000},
827 Isbn = {0032-3896},
828 Journal = {Polym J},
829 Month = {07},
830 Number = {7},
831 Pages = {690--698},
832 Publisher = {The Society of Polymer Science, Japan},
833 Title = {Antifreeze proteins: computer simulation studies on the mechanism of ice growth inhibition},
834 Ty = {JOUR},
835 Url = {http://dx.doi.org/10.1038/pj.2012.13},
836 Volume = {44},
837 Year = {2012},
838 Bdsk-Url-1 = {http://dx.doi.org/10.1038/pj.2012.13}}
839
840 @article{Ewald,
841 Author = {Christopher J. Fennell and J. Daniel Gezelter},
842 Date-Added = {2013-09-10 14:14:59 +0000},
843 Date-Modified = {2013-09-10 14:15:03 +0000},
844 Doi = {10.1063/1.2206581},
845 Eid = {234104},
846 Journal = {The Journal of Chemical Physics},
847 Keywords = {Lennard-Jones potential; liquid theory; molecular dynamics method},
848 Number = {23},
849 Numpages = {12},
850 Pages = {234104},
851 Publisher = {AIP},
852 Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
853 Url = {http://link.aip.org/link/?JCP/124/234104/1},
854 Volume = {124},
855 Year = {2006},
856 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/124/234104/1},
857 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2206581}}
858
859 @article{Laage08,
860 Author = {Laage, Damien and Hynes, James T.},
861 Date-Added = {2013-09-10 13:29:18 +0000},
862 Date-Modified = {2013-09-10 13:29:25 +0000},
863 Doi = {10.1021/jp805217u},
864 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp805217u},
865 Journal = {The Journal of Physical Chemistry B},
866 Note = {PMID: 18942871},
867 Number = {45},
868 Pages = {14230-14242},
869 Title = {On the Molecular Mechanism of Water Reorientation},
870 Url = {http://pubs.acs.org/doi/abs/10.1021/jp805217u},
871 Volume = {112},
872 Year = {2008},
873 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp805217u},
874 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp805217u}}
875
876 @article{Kumar09,
877 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.},
878 Author = {Kumar, Pradeep and Buldyrev, Sergey V. and Stanley, H. Eugene},
879 Date-Added = {2013-09-10 13:27:51 +0000},
880 Date-Modified = {2013-09-10 13:27:58 +0000},
881 Doi = {10.1073/pnas.0911094106},
882 Eprint = {http://www.pnas.org/content/106/52/22130.full.pdf+html},
883 Journal = {Proceedings of the National Academy of Sciences},
884 Number = {52},
885 Pages = {22130-22134},
886 Title = {A tetrahedral entropy for water},
887 Url = {http://www.pnas.org/content/106/52/22130.abstract},
888 Volume = {106},
889 Year = {2009},
890 Bdsk-Url-1 = {http://www.pnas.org/content/106/52/22130.abstract},
891 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0911094106}}
892
893 @article{Furse08,
894 Author = {Furse, Kristina E. and Corcelli, Steven A.},
895 Date-Added = {2013-09-10 13:25:57 +0000},
896 Date-Modified = {2013-09-10 13:26:03 +0000},
897 Doi = {10.1021/ja803728g},
898 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja803728g},
899 Journal = {Journal of the American Chemical Society},
900 Note = {PMID: 18767841},
901 Number = {39},
902 Pages = {13103-13109},
903 Title = {The Dynamics of Water at DNA Interfaces: Computational Studies of Hoechst 33258 Bound to DNA},
904 Url = {http://pubs.acs.org/doi/abs/10.1021/ja803728g},
905 Volume = {130},
906 Year = {2008},
907 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja803728g},
908 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja803728g}}
909
910 @article{Pit99,
911 Author = {Pit, Remmelt and Hervet, Hubert and L{\'e}ger, Liliane},
912 Date-Added = {2013-09-09 22:18:25 +0000},
913 Date-Modified = {2013-09-09 22:18:35 +0000},
914 Doi = {10.1023/A:1019161101812},
915 Issn = {1023-8883},
916 Journal = {Tribology Letters},
917 Keywords = {slip; lubrication; friction; lyophobic; liquid--solid interface},
918 Language = {English},
919 Number = {2-3},
920 Pages = {147-152},
921 Publisher = {Kluwer Academic Publishers-Plenum Publishers},
922 Title = {Friction and slip of a simple liquid at a solid surface},
923 Url = {http://dx.doi.org/10.1023/A%3A1019161101812},
924 Volume = {7},
925 Year = {1999},
926 Bdsk-Url-1 = {http://dx.doi.org/10.1023/A%3A1019161101812},
927 Bdsk-Url-2 = {http://dx.doi.org/10.1023/A:1019161101812}}
928
929 @article{Berendsen87,
930 Author = {Berendsen, H. J. C. and Grigera, J. R. and Straatsma, T. P.},
931 Date-Added = {2013-09-09 22:17:15 +0000},
932 Date-Modified = {2013-09-09 22:17:24 +0000},
933 Doi = {10.1021/j100308a038},
934 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100308a038},
935 Journal = {The Journal of Physical Chemistry},
936 Number = {24},
937 Pages = {6269-6271},
938 Title = {The missing term in effective pair potentials},
939 Url = {http://pubs.acs.org/doi/abs/10.1021/j100308a038},
940 Volume = {91},
941 Year = {1987},
942 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100308a038},
943 Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100308a038}}
944
945 @article{Wilson10,
946 Author = {Wilson, P. W. and Haymet, A. D. J.},
947 Date-Added = {2013-09-09 22:15:46 +0000},
948 Date-Modified = {2013-09-09 22:16:06 +0000},
949 Doi = {10.1021/jp105001c},
950 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp105001c},
951 Journal = {The Journal of Physical Chemistry B},
952 Number = {39},
953 Pages = {12585-12588},
954 Title = {Effect of Ice Growth Rate on the Measured Workman - Reynolds Freezing Potential between Ice and Dilute NaCl Solutions},
955 Url = {http://pubs.acs.org/doi/abs/10.1021/jp105001c},
956 Volume = {114},
957 Year = {2010},
958 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp105001c},
959 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp105001c}}
960
961 @article{Karim88,
962 Author = {Omar A. Karim and A. D. J. Haymet},
963 Date-Added = {2013-09-09 22:12:57 +0000},
964 Date-Modified = {2013-09-09 22:13:11 +0000},
965 Doi = {10.1063/1.455363},
966 Journal = {The Journal of Chemical Physics},
967 Keywords = {ICE; WATER; INTERFACE STRUCTURE; MOLECULAR DYNAMICS CALCULATIONS; CORRELATION FUNCTIONS},
968 Number = {11},
969 Pages = {6889-6896},
970 Publisher = {AIP},
971 Title = {The ice/water interface: A molecular dynamics simulation study},
972 Url = {http://link.aip.org/link/?JCP/89/6889/1},
973 Volume = {89},
974 Year = {1988},
975 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/89/6889/1},
976 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.455363}}
977
978 @article{Hayward01,
979 Author = {Jennifer A. Hayward and A. D. J. Haymet},
980 Date-Added = {2013-09-09 22:11:25 +0000},
981 Date-Modified = {2013-09-09 22:11:33 +0000},
982 Doi = {10.1063/1.1333680},
983 Journal = {The Journal of Chemical Physics},
984 Keywords = {ice; water; molecular dynamics method; interface phenomena; density; diffusion},
985 Number = {8},
986 Pages = {3713-3726},
987 Publisher = {AIP},
988 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},
989 Url = {http://link.aip.org/link/?JCP/114/3713/1},
990 Volume = {114},
991 Year = {2001},
992 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/114/3713/1},
993 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1333680}}
994
995 @article{Karim90,
996 Author = {Omar A. Karim and Paul A. Kay and A. D. J. Haymet},
997 Date-Added = {2013-09-09 22:10:33 +0000},
998 Date-Modified = {2013-09-09 22:10:40 +0000},
999 Doi = {10.1063/1.457730},
1000 Journal = {The Journal of Chemical Physics},
1001 Keywords = {ICE; WATER; INTERFACES; COMPUTERIZED SIMULATION; MOLECULAR DYNAMICS CALCULATIONS; INTERFACE STRUCTURE; SURFACE PROPERTIES; MOLECULAR ORIENTATION; DIFFUSION; DENSITY},
1002 Number = {7},
1003 Pages = {4634-4635},
1004 Publisher = {AIP},
1005 Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
1006 Url = {http://link.aip.org/link/?JCP/92/4634/1},
1007 Volume = {92},
1008 Year = {1990},
1009 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/92/4634/1},
1010 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.457730}}
1011
1012 @article{Hirsch04,
1013 Author = {Hirsch, Tomas K. and Ojam{\"a}e, Lars},
1014 Date-Added = {2013-09-09 18:46:26 +0000},
1015 Date-Modified = {2013-09-09 18:47:19 +0000},
1016 Doi = {10.1021/jp048434u},
1017 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp048434u},
1018 Journal = {The Journal of Physical Chemistry B},
1019 Number = {40},
1020 Pages = {15856-15864},
1021 Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
1022 Url = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
1023 Volume = {108},
1024 Year = {2004},
1025 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
1026 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp048434u}}
1027
1028 @article{Laage11,
1029 Author = {Laage, Damien and Stirnemann, Guillaume and Sterpone, Fabio and Rey, Rossend and Hynes, James T.},
1030 Date-Added = {2013-09-09 18:43:55 +0000},
1031 Date-Modified = {2013-09-09 18:44:03 +0000},
1032 Doi = {10.1146/annurev.physchem.012809.103503},
1033 Eprint = {http://www.annualreviews.org/doi/pdf/10.1146/annurev.physchem.012809.103503},
1034 Journal = {Annual Review of Physical Chemistry},
1035 Note = {PMID: 21219140},
1036 Number = {1},
1037 Pages = {395-416},
1038 Title = {Reorientation and Allied Dynamics in Water and Aqueous Solutions},
1039 Url = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
1040 Volume = {62},
1041 Year = {2011},
1042 Bdsk-Url-1 = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
1043 Bdsk-Url-2 = {http://dx.doi.org/10.1146/annurev.physchem.012809.103503}}
1044
1045 @article{PhysRevLett.70.2726,
1046 Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
1047 Date-Added = {2013-09-09 17:57:57 +0000},
1048 Date-Modified = {2013-09-09 17:57:57 +0000},
1049 Doi = {10.1103/PhysRevLett.70.2726},
1050 Issue = {18},
1051 Journal = {Phys. Rev. Lett.},
1052 Month = {May},
1053 Pages = {2726--2729},
1054 Publisher = {American Physical Society},
1055 Title = {Hydrodynamic boundary conditions and correlation functions of confined fluids},
1056 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
1057 Volume = {70},
1058 Year = {1993},
1059 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
1060 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.70.2726}}
1061
1062 @article{PhysRevE.49.3079,
1063 Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
1064 Date-Added = {2013-09-09 17:57:29 +0000},
1065 Date-Modified = {2013-09-09 17:57:29 +0000},
1066 Doi = {10.1103/PhysRevE.49.3079},
1067 Issue = {4},
1068 Journal = {Phys. Rev. E},
1069 Month = {Apr},
1070 Pages = {3079--3092},
1071 Publisher = {American Physical Society},
1072 Title = {Hydrodynamic boundary conditions, correlation functions, and Kubo relations for confined fluids},
1073 Url = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
1074 Volume = {49},
1075 Year = {1994},
1076 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
1077 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.49.3079}}
1078
1079 @article{Mundy1997305,
1080 Author = {Christopher J. Mundy and Sundaram Balasubramanian and Michael L. Klein},
1081 Date-Added = {2013-09-09 17:02:36 +0000},
1082 Date-Modified = {2013-09-09 18:38:42 +0000},
1083 Doi = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4},
1084 Issn = {0378-4371},
1085 Journal = {Physica A: Statistical Mechanics and its Applications},
1086 Number = {1--2},
1087 Pages = {305 - 314},
1088 Title = {Computation of the hydrodynamic boundary parameters of a confined fluid via non-equilibrium molecular dynamics},
1089 Url = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
1090 Volume = {240},
1091 Year = {1997},
1092 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
1093 Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4}}
1094
1095 @article{Bresme08,
1096 Author = {Bresme, Fernando and Lervik, Anders and Bedeaux, Dick and Kjelstrup, Signe},
1097 Date-Added = {2013-09-09 13:16:41 +0000},
1098 Date-Modified = {2013-09-09 13:16:47 +0000},
1099 Doi = {10.1103/PhysRevLett.101.020602},
1100 Issue = {2},
1101 Journal = {Phys. Rev. Lett.},
1102 Month = {Jul},
1103 Numpages = {4},
1104 Pages = {020602},
1105 Publisher = {American Physical Society},
1106 Title = {Water Polarization under Thermal Gradients},
1107 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
1108 Volume = {101},
1109 Year = {2008},
1110 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
1111 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.101.020602}}
1112
1113 @article{Nada03,
1114 Author = {Hiroki Nada and Jan P. J. M. van der Eerden},
1115 Date-Added = {2013-09-09 13:15:08 +0000},
1116 Date-Modified = {2013-09-09 13:15:17 +0000},
1117 Doi = {10.1063/1.1562610},
1118 Journal = {The Journal of Chemical Physics},
1119 Keywords = {potential energy functions; ice; water; melting point; Monte Carlo methods; thermodynamic properties; liquid structure},
1120 Number = {16},
1121 Pages = {7401-7413},
1122 Publisher = {AIP},
1123 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},
1124 Url = {http://link.aip.org/link/?JCP/118/7401/1},
1125 Volume = {118},
1126 Year = {2003},
1127 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/118/7401/1},
1128 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1562610}}
1129
1130 @article{Wierzbicki07,
1131 Author = {Wierzbicki, Andrzej and Dalal, Pranav and Cheatham, Thomas E. and Knickelbein, Jared E. and Haymet, A. D. J. and Madura, Jeffry D.},
1132 Date = {2007/09/01},
1133 Date-Added = {2013-09-09 13:13:07 +0000},
1134 Date-Modified = {2013-09-09 13:13:15 +0000},
1135 Id = {S0006-3495(07)71405-4 DOI - 10.1529/biophysj.107.105189},
1136 Isbn = {0006-3495},
1137 Journal = {Biophysical journal},
1138 Journal1 = {Biophysical journal},
1139 Journal2 = {Biophys J},
1140 Month = {09},
1141 Number = {5},
1142 Pages = {1442--1451},
1143 Publisher = {Cell Press},
1144 Title = {Antifreeze Proteins at the Ice/Water Interface: Three Calculated Discriminating Properties for Orientation of Type I Proteins},
1145 Ty = {ABST},
1146 Url = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054},
1147 Volume = {93},
1148 Year = {2007},
1149 Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054}}
1150
1151 @article{OOPSE,
1152 Author = {Meineke, Matthew A. and Vardeman, Charles F. and Lin, Teng and Fennell, Christopher J. and Gezelter, J. Daniel},
1153 Date-Added = {2013-09-03 20:42:45 +0000},
1154 Date-Modified = {2013-09-03 20:42:45 +0000},
1155 Doi = {10.1002/jcc.20161},
1156 Issn = {1096-987X},
1157 Journal = {Journal of Computational Chemistry},
1158 Keywords = {OOPSE, molecular dynamics},
1159 Number = {3},
1160 Pages = {252--271},
1161 Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
1162 Title = {OOPSE: An object-oriented parallel simulation engine for molecular dynamics},
1163 Url = {http://dx.doi.org/10.1002/jcc.20161},
1164 Volume = {26},
1165 Year = {2005},
1166 Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20161}}
1167
1168 @misc{openmd,
1169 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},
1170 Date-Added = {2013-09-03 20:42:37 +0000},
1171 Date-Modified = {2013-09-03 20:42:37 +0000},
1172 Howpublished = {Available at {\tt http://openmd.org}},
1173 Title = {{OpenMD, an Open Source Engine for Molecular Dynamics}}}
1174
1175 @article{Buch:2008fk,
1176 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.},
1177 Author = {Buch, V. and Groenzin, H. and Li, I. and Shultz, M. J. and Tosatti, E.},
1178 Date-Added = {2013-09-03 20:15:03 +0000},
1179 Date-Modified = {2013-09-03 20:15:11 +0000},
1180 Doi = {10.1073/pnas.0710129105},
1181 Eprint = {http://www.pnas.org/content/105/16/5969.full.pdf+html},
1182 Journal = {Proceedings of the National Academy of Sciences},
1183 Number = {16},
1184 Pages = {5969-5974},
1185 Title = {Proton order in the ice crystal surface},
1186 Url = {http://www.pnas.org/content/105/16/5969.abstract},
1187 Volume = {105},
1188 Year = {2008},
1189 Bdsk-Url-1 = {http://www.pnas.org/content/105/16/5969.abstract},
1190 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0710129105}}
1191
1192 @article{Wilson08,
1193 Author = {Wilson, P. W. and Haymet, A. D. J.},
1194 Date-Added = {2013-09-03 20:09:39 +0000},
1195 Date-Modified = {2013-09-09 22:14:12 +0000},
1196 Doi = {10.1021/jp804047x},
1197 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp804047x},
1198 Journal = {The Journal of Physical Chemistry B},
1199 Note = {PMID: 18720967},
1200 Number = {37},
1201 Pages = {11750-11755},
1202 Title = {Workman - Reynolds Freezing Potential Measurements between Ice and Dilute Salt Solutions for Single Ice Crystal Faces},
1203 Url = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
1204 Volume = {112},
1205 Year = {2008},
1206 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
1207 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp804047x}}
1208
1209 @article{Smith05,
1210 Author = {E. J. Smith and T. Bryk and A. D. J. Haymet},
1211 Date-Added = {2013-09-03 20:03:24 +0000},
1212 Date-Modified = {2013-09-03 20:03:30 +0000},
1213 Doi = {10.1063/1.1953578},
1214 Eid = {034706},
1215 Journal = {The Journal of Chemical Physics},
1216 Keywords = {chlorine; sodium; ice; water; positive ions; negative ions; free energy; solvation; molecular dynamics method; interface phenomena; melting point},
1217 Number = {3},
1218 Numpages = {16},
1219 Pages = {034706},
1220 Publisher = {AIP},
1221 Title = {Free energy of solvation of simple ions: Molecular-dynamics study of solvation of Cl[sup -] and Na[sup +] in the ice/water interface},
1222 Url = {http://link.aip.org/link/?JCP/123/034706/1},
1223 Volume = {123},
1224 Year = {2005},
1225 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/123/034706/1},
1226 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1953578}}
1227
1228 @article{Sakai96,
1229 Author = {Hideki Sakai},
1230 Date-Added = {2013-09-03 20:01:26 +0000},
1231 Date-Modified = {2013-09-03 20:01:36 +0000},
1232 Doi = {http://dx.doi.org/10.1016/0039-6028(96)01033-3},
1233 Issn = {0039-6028},
1234 Journal = {Surface Science},
1235 Keywords = {Surface melting},
1236 Number = {3},
1237 Pages = {387 - 392},
1238 Title = {How does a slab-shaped solid melt?},
1239 Url = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
1240 Volume = {348},
1241 Year = {1996},
1242 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
1243 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(96)01033-3}}
1244
1245 @article{Sakai96B,
1246 Author = {Hideki Sakai},
1247 Date-Added = {2013-09-03 20:00:35 +0000},
1248 Date-Modified = {2013-09-03 20:01:43 +0000},
1249 Doi = {http://dx.doi.org/10.1016/0039-6028(95)01263-X},
1250 Issn = {0039-6028},
1251 Journal = {Surface Science},
1252 Keywords = {Surface melting},
1253 Number = {1--3},
1254 Pages = {285 - 291},
1255 Title = {Surface-induced melting of small particles},
1256 Url = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
1257 Volume = {351},
1258 Year = {1996},
1259 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
1260 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)01263-X}}
1261
1262 @article{Vanfleet95,
1263 Author = {Richard R. Vanfleet and J.M. Mochel},
1264 Date-Added = {2013-09-03 19:59:42 +0000},
1265 Date-Modified = {2013-09-03 19:59:51 +0000},
1266 Doi = {http://dx.doi.org/10.1016/0039-6028(95)00728-8},
1267 Issn = {0039-6028},
1268 Journal = {Surface Science},
1269 Keywords = {Wetting},
1270 Number = {1--2},
1271 Pages = {40 - 50},
1272 Title = {Thermodynamics of melting and freezing in small particles},
1273 Url = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
1274 Volume = {341},
1275 Year = {1995},
1276 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
1277 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)00728-8}}
1278
1279 @article{Granasy95,
1280 Author = {Granasy, Laszlo},
1281 Date-Added = {2013-09-03 19:58:11 +0000},
1282 Date-Modified = {2013-09-03 19:58:23 +0000},
1283 Doi = {10.1021/j100038a061},
1284 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100038a061},
1285 Journal = {The Journal of Physical Chemistry},
1286 Number = {38},
1287 Pages = {14182-14187},
1288 Title = {Diffuse Interface Analysis of Ice Nucleation in Undercooled Water},
1289 Url = {http://pubs.acs.org/doi/abs/10.1021/j100038a061},
1290 Volume = {99},
1291 Year = {1995},
1292 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100038a061},
1293 Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100038a061}}
1294
1295 @article{Meister29012013,
1296 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.},
1297 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},
1298 Date-Added = {2013-09-03 19:22:18 +0000},
1299 Date-Modified = {2013-09-03 19:22:18 +0000},
1300 Doi = {10.1073/pnas.1214911110},
1301 Eprint = {http://www.pnas.org/content/110/5/1617.full.pdf+html},
1302 Journal = {Proceedings of the National Academy of Sciences},
1303 Number = {5},
1304 Pages = {1617-1622},
1305 Title = {Long-range protein--water dynamics in hyperactive insect antifreeze proteins},
1306 Url = {http://www.pnas.org/content/110/5/1617.abstract},
1307 Volume = {110},
1308 Year = {2013},
1309 Bdsk-Url-1 = {http://www.pnas.org/content/110/5/1617.abstract},
1310 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.1214911110}}
1311
1312 @article{Nada05,
1313 Author = {H. Nada and Y. Furukawa},
1314 Date-Added = {2013-08-30 00:03:37 +0000},
1315 Date-Modified = {2013-09-03 19:53:16 +0000},
1316 Journal = {Journal of Crystal Growth},
1317 Pages = {242-256},
1318 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}},
1319 Volume = {283},
1320 Year = {2005}}
1321
1322 @article{Bryk04,
1323 Author = {T. Bryk and A. D. J. Haymet},
1324 Date-Added = {2013-07-15 18:33:15 +0000},
1325 Date-Modified = {2013-07-15 18:34:17 +0000},
1326 Journal = {Journal of Molecular Liquids},
1327 Pages = {47-50},
1328 Title = {Charge separation at the ice/water interface: a molecular dynamics simulation study of solute ions at the ice basal plane},
1329 Volume = {112},
1330 Year = {2004}}
1331
1332 @article{Rick03,
1333 Author = {S. W. Rick and A. D. J. Haymet},
1334 Date-Added = {2013-07-15 16:05:32 +0000},
1335 Date-Modified = {2013-07-15 16:06:41 +0000},
1336 Journal = {J. Chem. Phys.},
1337 Number = {20},
1338 Pages = {9291-9296},
1339 Title = {Dielectric constant and proton order and disorder in ice Ih: Monte Carlo computer simulations},
1340 Volume = {118},
1341 Year = {2003}}
1342
1343 @article{Davidchack12,
1344 Author = {Davidchack, Ruslan L. and Handel, Richard and Anwar, Jamshed and Brukhno, Andrey V.},
1345 Date-Added = {2013-07-11 21:25:47 +0000},
1346 Date-Modified = {2013-07-11 21:34:56 +0000},
1347 Doi = {10.1021/ct300193e},
1348 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ct300193e},
1349 Journal = {Journal of Chemical Theory and Computation},
1350 Number = {7},
1351 Pages = {2383-2390},
1352 Title = {Ice Ih--Water Interfacial Free Energy of Simple Water Models with Full Electrostatic Interactions},
1353 Url = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
1354 Volume = {8},
1355 Year = {2012},
1356 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
1357 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ct300193e}}
1358
1359 @article{Armstrong13,
1360 Author = {J. A. Armstrong and F. Bresme},
1361 Date-Added = {2013-07-11 19:35:13 +0000},
1362 Date-Modified = {2013-07-12 19:40:42 +0000},
1363 Journal = {J. Chem. Phys.},
1364 Pages = {014504},
1365 Title = {Water polarization induced by thermal gradients: Te extended simple point charge model (SPC/E)},
1366 Volume = {139},
1367 Year = {2013}}
1368
1369 @article{Smith93,
1370 Author = {P. E. Smith and W F. van Gunsteren},
1371 Date-Added = {2013-06-19 17:39:04 +0000},
1372 Date-Modified = {2013-07-12 19:44:47 +0000},
1373 Journal = {Chem. Phys. Letters},
1374 Number = {4},
1375 Pages = {315-318},
1376 Title = {The viscosity of SPC and SPC/E water at 277 and 300 K},
1377 Volume = {215},
1378 Year = {1993}}
1379
1380 @article{Gonzalez10,
1381 Author = {M. A. Gonzalez and J. L. F. Abascal},
1382 Date-Added = {2013-06-19 17:30:15 +0000},
1383 Date-Modified = {2013-07-12 19:42:54 +0000},
1384 Journal = {J. Chem. Phys.},
1385 Pages = {096101-1},
1386 Title = {The shear viscosity of rigid water models},
1387 Volume = {132},
1388 Year = {2010}}
1389
1390 @article{Balasubramanian96,
1391 Author = {S. Balasubramanian and C. J. Mundy and M. L. Klein},
1392 Date-Added = {2013-06-19 17:28:24 +0000},
1393 Date-Modified = {2013-07-12 19:41:03 +0000},
1394 Journal = {J. Chem. Phys.},
1395 Number = {24},
1396 Pages = {11190-11195},
1397 Title = {Shear viscosity of polar fluids: Molecular dynamics calculations of water},
1398 Volume = {105},
1399 Year = {1996}}
1400
1401 @article{Guo01,
1402 Author = {G. Guo and Y. Zhang},
1403 Date-Added = {2013-06-19 17:27:08 +0000},
1404 Date-Modified = {2013-07-12 19:43:00 +0000},
1405 Journal = {Molecular Physics},
1406 Number = {4},
1407 Pages = {283-289},
1408 Title = {Equilibrium molecular dynamics calculation of the bulk viscosity of liquid water},
1409 Volume = {99},
1410 Year = {2001}}
1411
1412 @article{Hess02,
1413 Author = {B. Hess},
1414 Date-Added = {2013-06-19 17:19:04 +0000},
1415 Date-Modified = {2013-06-19 17:20:27 +0000},
1416 Journal = {J. Chem. Phys.},
1417 Number = {1},
1418 Pages = {209-217},
1419 Title = {Determining the shear viscosity of model liquids from molecular dynamics simulations},
1420 Volume = {116},
1421 Year = {2002}}
1422
1423 @article{Balasubramanian99,
1424 Author = {S. Balasubramanian and C. J. Mundy},
1425 Date-Added = {2013-06-13 16:47:33 +0000},
1426 Date-Modified = {2013-07-12 19:41:12 +0000},
1427 Journal = {Bull. Mater. Sci.},
1428 Number = {5},
1429 Pages = {873-876},
1430 Title = {Calculation of friction coefficient of a solid-liquid interface via a non-equilibrium molecular dynamics simulation},
1431 Volume = {22},
1432 Year = {1999}}
1433
1434 @article{Arbuckle02,
1435 Author = {B. W. Arbuckle and P. Clancy},
1436 Date-Added = {2013-04-26 19:34:32 +0000},
1437 Date-Modified = {2013-07-12 19:40:33 +0000},
1438 Journal = {J. Chem. Phys.},
1439 Number = {12},
1440 Pages = {5090-5098},
1441 Title = {Effects of the Ewald sum on the free energy of the extended simple point charge model for water},
1442 Volume = {116},
1443 Year = {2002}}
1444
1445 @article{Baez95,
1446 Author = {L. A. Baez and P. Clancy},
1447 Date-Added = {2013-04-17 20:31:40 +0000},
1448 Date-Modified = {2013-07-12 19:40:50 +0000},
1449 Journal = {J. Chem. Phys.},
1450 Number = {22},
1451 Pages = {9744-9755},
1452 Title = {Phase equilibria in extended simple point charge ice-water systems},
1453 Volume = {103},
1454 Year = {1995}}
1455
1456 @article{Nada00,
1457 Author = {H. Nada and Y. Furukawa},
1458 Date-Added = {2013-04-17 18:43:16 +0000},
1459 Date-Modified = {2013-07-12 19:44:13 +0000},
1460 Journal = {Surface Science},
1461 Pages = {1-16},
1462 Title = {Anisotropy in structural transitions between basal and prismatic faces of ice studied by molecular dynamics simulation},
1463 Volume = {446},
1464 Year = {2000}}
1465
1466 @article{Rick01,
1467 Author = {S. W. Rick},
1468 Date-Added = {2013-04-10 20:46:33 +0000},
1469 Date-Modified = {2013-04-10 20:47:32 +0000},
1470 Journal = {J. Chem. Phys.},
1471 Number = {5},
1472 Pages = {2276-2283},
1473 Title = {Simulations of ice and liquid water over a range of temperatures using the fluctuating charge model},
1474 Volume = {114},
1475 Year = {2001}}
1476
1477 @article{Barnaal67,
1478 Author = {D. E. Barnaal and I. J. Lowe},
1479 Date-Added = {2013-01-25 22:17:46 +0000},
1480 Date-Modified = {2013-07-12 19:41:19 +0000},
1481 Journal = {J. Chem. Phys.},
1482 Number = {12},
1483 Pages = {4800- 4809},
1484 Title = {Experimental Free-Induction-Decay Shapes and Theoretical Second Moments for Hydrogen in Hexagonal Ice},
1485 Volume = {46},
1486 Year = {1967}}
1487
1488 @article{Peterson57,
1489 Author = {S. W. Peterson and H. A. Levy},
1490 Date-Added = {2013-01-25 22:16:38 +0000},
1491 Date-Modified = {2013-07-12 19:44:32 +0000},
1492 Journal = {Acta Cryst.},
1493 Pages = {70-76},
1494 Title = {A Single-Crystal Neutron Diffraction Study of Heavy Ice},
1495 Volume = {10},
1496 Year = {1957}}
1497
1498 @article{Huler76,
1499 Author = {E. Huler and A. Zunger},
1500 Date-Added = {2013-01-25 22:12:37 +0000},
1501 Date-Modified = {2013-07-12 19:43:25 +0000},
1502 Journal = {J. Chem. Phys.},
1503 Pages = {433-440},
1504 Title = {Calculation of the Equilibrium Configuration and Intermolecular Frequencies of Water Dimers and Hexagonal Ice},
1505 Volume = {13},
1506 Year = {1976}}
1507
1508 @article{Rahman72,
1509 Author = {A. Rahman and F. H. Stillinger},
1510 Date-Added = {2013-01-25 22:07:43 +0000},
1511 Date-Modified = {2013-07-12 19:44:37 +0000},
1512 Journal = {J. Chem. Phys.},
1513 Number = {9},
1514 Pages = {4009-4017},
1515 Title = {Proton Distribution in Ice and the Kirkwood Correlation Factor},
1516 Volume = {57},
1517 Year = {1972}}
1518
1519 @article{Santry72,
1520 Author = {D. P. Santry},
1521 Date-Added = {2013-01-25 22:05:34 +0000},
1522 Date-Modified = {2013-01-25 22:12:17 +0000},
1523 Journal = {JACS},
1524 Pages = {8311-8316},
1525 Title = {Molecular Orbital Studies on Hexagonal Ice},
1526 Volume = {94},
1527 Year = {1972}}
1528
1529 @article{Townsend83,
1530 Author = {M. Townsend and S. A. Rice},
1531 Date-Added = {2013-01-25 22:04:31 +0000},
1532 Date-Modified = {2013-07-12 19:44:52 +0000},
1533 Journal = {J. Chem. Phys.},
1534 Pages = {2496-2498},
1535 Title = {A test of an effective pair potential for liquid water},
1536 Volume = {79},
1537 Year = {1983}}
1538
1539 @article{Deutsch83,
1540 Author = {P. W. Deutsch and B. N. Hale and R. C. Ward and D. A. Reago Jr.},
1541 Date-Added = {2013-01-25 22:01:53 +0000},
1542 Date-Modified = {2013-07-12 19:42:29 +0000},
1543 Journal = {J. Phys. Chem.},
1544 Pages = {4309-4311},
1545 Title = {Theoretical Studies of the Surface of a Model Bulk Ice Ih near 300 K Using a Central Force Potential Model},
1546 Volume = {87},
1547 Year = {1983}}
1548
1549 @article{Davidson84,
1550 Author = {E. R. Davidson and K. Morokuma},
1551 Date-Added = {2013-01-25 22:00:42 +0000},
1552 Date-Modified = {2013-07-12 19:42:16 +0000},
1553 Journal = {J. Chem. Phys.},
1554 Pages = {3741-3742},
1555 Title = {A proposed antiferroelectric structure for proton ordered ice Ih},
1556 Volume = {81},
1557 Year = {1984}}
1558
1559 @article{Cota77,
1560 Author = {E. Cota and W. G. Hoover},
1561 Date-Added = {2013-01-25 21:59:33 +0000},
1562 Date-Modified = {2013-07-12 19:40:13 +0000},
1563 Journal = {J. Chem. Phys.},
1564 Number = {8},
1565 Pages = {3839},
1566 Title = {Computer simulation of hexagonal ice},
1567 Volume = {67},
1568 Year = {1977}}
1569
1570 @article{Karim87,
1571 Author = {O. A. Karim and A. D. J. Haymet},
1572 Date-Added = {2013-01-25 21:52:35 +0000},
1573 Date-Modified = {2013-07-12 19:43:31 +0000},
1574 Journal = {Chem. Phys. Letters},
1575 Number = {6},
1576 Pages = {531-534},
1577 Title = {The Ice/Water Interface},
1578 Volume = {138},
1579 Year = {1987}}
1580
1581 @article{Batista01,
1582 Author = {E. R. Batista and H. Jonsson},
1583 Date-Added = {2013-01-25 21:50:07 +0000},
1584 Date-Modified = {2013-07-12 19:41:28 +0000},
1585 Journal = {Computational Materials Science},
1586 Pages = {325-336},
1587 Title = {Diffusion and Island formation of the ice Ih basal plane surface},
1588 Volume = {20},
1589 Year = {2001}}
1590
1591 @article{Campo10,
1592 Author = {M. G. Campo},
1593 Date-Added = {2013-01-25 21:48:02 +0000},
1594 Date-Modified = {2013-01-25 21:48:44 +0000},
1595 Journal = {Papers in Physics},
1596 Pages = {020001},
1597 Title = {Structural and dynamic properties of SPC/E water},
1598 Volume = {2},
1599 Year = {2010}}
1600
1601 @article{Vega05,
1602 Author = {C. Vega and E. Sanz and J. L. F. Abascal},
1603 Date-Added = {2013-01-25 21:44:43 +0000},
1604 Date-Modified = {2013-07-12 19:44:59 +0000},
1605 Journal = {J. Chem. Phys.},
1606 Pages = {114507},
1607 Title = {The melting temperature of the most common models of water},
1608 Volume = {122},
1609 Year = {2005}}
1610
1611 @article{Errington01,
1612 Author = {J. R. Errington and P. G. Debenedetti},
1613 Date-Added = {2013-01-25 21:40:29 +0000},
1614 Date-Modified = {2013-07-12 19:42:36 +0000},
1615 Journal = {Nature},
1616 Pages = {318-321},
1617 Title = {Relationship between structural order and the anomalies of liquid water},
1618 Volume = {409},
1619 Year = {2001}}
1620
1621 @article{Chau98,
1622 Author = {P. L. Chau and A. J. Hardwick},
1623 Date-Added = {2013-01-25 21:39:31 +0000},
1624 Date-Modified = {2013-07-12 19:42:07 +0000},
1625 Journal = {Molecular Physics},
1626 Number = {3},
1627 Pages = {511-518},
1628 Title = {A new order parameter for tetrahedral configurations},
1629 Volume = {93},
1630 Year = {1998}}
1631
1632 @article{Kuang12,
1633 Author = {S. Kuang and J. D. Gezelter},
1634 Date-Added = {2013-01-25 21:35:01 +0000},
1635 Date-Modified = {2013-07-12 19:43:55 +0000},
1636 Journal = {Molecular Physics},
1637 Pages = {691-701},
1638 Title = {Velocity shearing and scaling RNEMD: a minimally perturbing method for simulating temperature and momentum gradients},
1639 Volume = {110},
1640 Year = {2012}}
1641
1642 @article{Kuang10,
1643 Author = {S. Kuang and J. D. Gezelter},
1644 Date-Added = {2013-01-25 21:27:09 +0000},
1645 Date-Modified = {2013-07-12 19:43:49 +0000},
1646 Journal = {J. Chem. Phys.},
1647 Pages = {164101},
1648 Title = {A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity},
1649 Volume = {133},
1650 Year = {2010}}
1651
1652 @article{Bryk04b,
1653 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.},
1654 Author = {Bryk, Taras and Haymet, A.D.J.},
1655 Date-Modified = {2014-12-04 18:01:49 +0000},
1656 Doi = {doi:10.1080/0892702031000152172},
1657 Journal = {Molecular Simulation},
1658 Keyword = {Ice, Melting temperature, Phase diagram, Water},
1659 Number = {2-1},
1660 Pages = {131-135},
1661 Title = {The Ice/Water Interface: Density-Temperature Phase Diagram for the SPC/E Model of Liquid Water},
1662 Url = {http://www.ingentaconnect.com/content/tandf/gmos/2004/00000030/F0020002/art00009},
1663 Volume = {30},
1664 Year = {2004},
1665 Bdsk-Url-1 = {http://www.ingentaconnect.com/content/tandf/gmos/2004/00000030/F0020002/art00009},
1666 Bdsk-Url-2 = {http://dx.doi.org/10.1080/0892702031000152172}}