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