ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/iceWater2/iceWater.bib
Revision: 4231
Committed: Mon Dec 8 15:43:23 2014 UTC (9 years, 9 months ago) by plouden
File size: 60674 byte(s)
Log Message:
added images of systems and more paper revisions

File Contents

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