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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 2014-12-04 17:47:03 -0500
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8 %% Saved with string encoding Unicode (UTF-8)
9
10
11
12 @article{Sazaki12,
13 Author = {Sazaki, G. and Zepeda, S. and Nakatsubo, S. and Yokomine, M. and Furukawa, Y.},
14 Date-Added = {2014-12-04 22:09:50 +0000},
15 Date-Modified = {2014-12-04 22:11:05 +0000},
16 Journal = {PNAS},
17 Keywords = {QLL, crystal surface},
18 Number = {4},
19 Pages = {1052-1055},
20 Title = {Quasi-liquid layers on ice crystal surfaces are made up of two different phases},
21 Volume = {109},
22 Year = {2012}}
23
24 @article{Sazaki10,
25 Author = {Sazaki, G. and Zepeda, S. and Nakatsubo, S. and Yokoyama, E. and Furukawa, Y.},
26 Date-Added = {2014-12-04 22:07:48 +0000},
27 Date-Modified = {2014-12-04 22:09:47 +0000},
28 Journal = {PNAS},
29 Keywords = {QLL, microscopy, crystal surface},
30 Number = {46},
31 Pages = {19702-19707},
32 Title = {Elementary steps at the surface of ice crystals visualized by advanced optical microscopy},
33 Volume = {107},
34 Year = {2010}}
35
36 @article{Nada11b,
37 Author = {H. Nada},
38 Date-Added = {2014-12-04 20:55:30 +0000},
39 Date-Modified = {2014-12-04 20:56:52 +0000},
40 Journal = {Crystal growth & design},
41 Keywords = {Crystal growth},
42 Number = {7},
43 Pages = {3130-3136},
44 Title = {Analysis of ice crystal growth shape under high pressure using molecular dynamics simulation},
45 Volume = {11},
46 Year = {2011}}
47
48 @article{Nada08,
49 Author = {H. Nada and Y. Furukawa},
50 Date-Added = {2014-12-04 20:24:34 +0000},
51 Date-Modified = {2014-12-04 20:25:49 +0000},
52 Journal = {J. Phys. Chem. B.},
53 Keywords = {Antifreeze proteins},
54 Pages = {7111-7119},
55 Title = {Growth inhibition mechanism of an ice-water interface by a mutant of winter flounder antifreeze protein: A molecular dynamics study},
56 Volume = {112},
57 Year = {2008}}
58
59 @article{Nada11,
60 Author = {H. Nada and Y. Furukawa},
61 Date-Added = {2014-12-04 20:20:34 +0000},
62 Date-Modified = {2014-12-04 20:21:48 +0000},
63 Journal = {PCCP},
64 Keywords = {Antifreeze proteins},
65 Pages = {19936-19942},
66 Title = {Growth inhibition at the ice prismatic plane induced by a spruce budworm antifreeze protein: a molecular dynamics simulation study},
67 Volume = {13},
68 Year = {2011}}
69
70 @article{Vrbka07,
71 Author = {Vrbka, L. and Jungwirth, P.},
72 Date-Added = {2014-12-04 19:16:47 +0000},
73 Date-Modified = {2014-12-04 19:18:30 +0000},
74 Journal = {Journal of Molecular Liquids},
75 Keywords = {SPC/E, melting point, salt, NaCl},
76 Pages = {64-70},
77 Title = {Molecular dynamics simulations of freezing of water and salt solutions},
78 Volume = {134},
79 Year = {2007}}
80
81 @article{Fernandez06,
82 Author = {Garcia Fernandec, R. and Abascal, J. L. F. and Vega, C.},
83 Date-Added = {2014-12-04 19:02:51 +0000},
84 Date-Modified = {2014-12-04 19:04:36 +0000},
85 Journal = {J. Chem. Phys.},
86 Keywords = {melting point, SPC/E, TIP4P, TIP4P-Ew, TIP4P/Ice, TIP4P/2005, TIP5P, TIP5P-Ew},
87 Pages = {144506},
88 Title = {The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface},
89 Volume = {124},
90 Year = {2006}}
91
92 @article{Sanz04b,
93 Author = {Sanz, E. and Vega, C. and Abascal, J. L. F. and MacDowell, L. G.},
94 Date-Added = {2014-12-04 18:59:12 +0000},
95 Date-Modified = {2014-12-04 19:01:11 +0000},
96 Journal = {Phys. Rev. Lett.},
97 Keywords = {SPC/E, TIP4P, phase diagram},
98 Number = {25},
99 Pages = {255701},
100 Title = {Phase Diagram of Water from Computer Simulation},
101 Volume = {92},
102 Year = {2004}}
103
104 @article{Abascal07,
105 Author = {Abascal, J. L. F. and Garcia Fernandec, R. and MacDowell, L. G. and Sanz, E. and Vega, C. },
106 Date-Added = {2014-12-04 18:28:27 +0000},
107 Date-Modified = {2014-12-04 18:31:09 +0000},
108 Journal = {Journal of Molecular Liquids},
109 Keywords = {SPC, SPC/E, TIP4P, TIP4P/Ice, TIP4P/2005, melting point},
110 Pages = {214},
111 Title = {Ice: A fruitful source of information about liquid water},
112 Volume = {136},
113 Year = {2007}}
114
115 @article{Koyama04,
116 Author = {Koyama, Yuji and Tanaka, Hideki and Gao, Gunangtu and Zeng, X. C. },
117 Date-Added = {2014-12-04 18:23:38 +0000},
118 Date-Modified = {2014-12-04 18:25:40 +0000},
119 Journal = {J. Chem. Phys.},
120 Keywords = {TIP4P, TIP5P, melting point},
121 Pages = {7926},
122 Title = {Melting points and thermal expansitivities of proton-disordered hexangonal ice with several model potentials},
123 Volume = {121},
124 Year = {2004}}
125
126 @article{Wang05,
127 Author = {Wang, J. and Yoo, S. and Bai, J. and Morris, James R. and Zeng, X. C.},
128 Date-Added = {2014-12-04 18:20:24 +0000},
129 Date-Modified = {2014-12-04 18:22:11 +0000},
130 Journal = {J. Chem. Phys.},
131 Keywords = {TIP4P, TIP5P, TIP4P-Ew, TIP5P-Ew, melting point, },
132 Pages = {036101},
133 Title = {Melting temperature of ice Ih calculated from coexisting solid-liquid phases},
134 Volume = {123},
135 Year = {2005}}
136
137 @article{Gao00,
138 Author = {Gao, G. T. and Zeng, X. C.},
139 Date-Added = {2014-12-04 18:17:33 +0000},
140 Date-Modified = {2014-12-04 18:19:06 +0000},
141 Journal = {J. Chem. Phys.},
142 Keywords = {TIP4P, melting point},
143 Pages = {8534},
144 Title = {The melting temperature of proton-disordered hexagonal ice: A computer simulation of 4-site transferable intermolecular potential model of water},
145 Volume = {112},
146 Year = {2000}}
147
148 @article{Abascal05b,
149 Author = {Abascal, J. L. F. and Sanz, E. and Garcia Fernandec, R. and Vega, C. },
150 Date-Added = {2014-12-04 17:33:13 +0000},
151 Date-Modified = {2014-12-04 17:34:28 +0000},
152 Journal = {J. Chem. Phys.},
153 Keywords = {TIP4P/Ice, water model, ice model},
154 Pages = {234511},
155 Title = {A potential model for the study of ices and amorphous water: TIP4P/Ice},
156 Volume = {122},
157 Year = {2005}}
158
159 @article{Abascal05,
160 Author = {Abascal, J. L. F. and Vega, C.},
161 Date-Added = {2014-12-04 17:31:39 +0000},
162 Date-Modified = {2014-12-04 17:32:47 +0000},
163 Journal = {J. Chem. Phys.},
164 Keywords = {TIP4P/2005, water model},
165 Pages = {234505},
166 Title = {A general purpose model for the condensed phases of water: TIP4P/2005},
167 Volume = {123},
168 Year = {2005}}
169
170 @article{Jorgensen85,
171 Author = {Jorgensen, W. L. and Madura, J. D.},
172 Date-Added = {2014-12-04 17:28:22 +0000},
173 Date-Modified = {2014-12-04 17:30:26 +0000},
174 Journal = {Mol. Phys.},
175 Pages = {1381-1392},
176 Title = {Temperature and size dependence for monte carlo simulations of TIP4P water},
177 Volume = {56},
178 Year = {1985}}
179
180 @article{Berendsen81,
181 Author = {Berendsen, H. J. C. and Postma, J. P. M and van Gunsteren, W. F. and Hermans, J.},
182 Date-Added = {2014-12-04 17:24:52 +0000},
183 Date-Modified = {2014-12-04 17:26:23 +0000},
184 Journal = {Intermolecular Forces},
185 Pages = {331},
186 Year = {1981}}
187
188 @article{Bell08,
189 Author = {Bell, Robin E. },
190 Date-Added = {2014-12-04 16:42:53 +0000},
191 Date-Modified = {2014-12-04 16:44:20 +0000},
192 Journal = {Nature Geoscience},
193 Keywords = {ice-water friction},
194 Pages = {297-304},
195 Title = {The role of subglacial water in ice-sheet mass balance},
196 Volume = {1},
197 Year = {2008}}
198
199 @article{Cuffey99,
200 Author = {Cuffey, K. M. and Conway, H. and Hallet, B. and Gades, A. M. and Raymond, C. F.},
201 Date-Added = {2014-12-04 16:22:37 +0000},
202 Date-Modified = {2014-12-04 16:40:21 +0000},
203 Journal = {Geophysical Research Letters},
204 Keywords = {ice-water friction},
205 Pages = {751-754},
206 Title = {Interfacial water in polar glaciers and glacier sliding at -17 C},
207 Volume = {26},
208 Year = {1999}}
209
210 @article{Lishman13,
211 Author = {Lishman, B. and Sammonds, P. R. and Feltham, D. L.},
212 Date-Added = {2014-12-04 15:49:46 +0000},
213 Date-Modified = {2014-12-04 22:46:37 +0000},
214 Journal = {Cold Regions Science and Technology},
215 Keywords = {ice-ice friction},
216 Pages = {9-13},
217 Title = {Critical slip and time dependence in sea ice friction},
218 Volume = {90-91},
219 Year = {2013}}
220
221 @article{Pritchard12,
222 Author = {Pritchard, R. S. and Knoke, G. S. and Echert, D. C. "Skip"},
223 Date-Added = {2014-12-04 15:42:01 +0000},
224 Date-Modified = {2014-12-04 15:44:47 +0000},
225 Journal = {Cold Regions Science and Technology},
226 Keywords = {ice-ice friction},
227 Pages = {8-16},
228 Title = {Sliding friction of sea ice blocks},
229 Volume = {76-77},
230 Year = {2012}}
231
232 @article{Sukhorukov13,
233 Author = {Sukhorukov, S. and Loset, S.},
234 Date-Added = {2014-12-04 15:39:43 +0000},
235 Date-Modified = {2014-12-04 15:41:18 +0000},
236 Journal = {Cold Regions Science and Technology},
237 Keywords = {ice-ice friction},
238 Pages = {1-12},
239 Title = {Friction of sea ice on sea ice},
240 Volume = {94},
241 Year = {2013}}
242
243 @article{Casassa91,
244 Author = {Casassa, G. and Narita, H. and Maeno, N.},
245 Date-Added = {2014-12-04 15:36:55 +0000},
246 Date-Modified = {2014-12-04 15:39:02 +0000},
247 Journal = {J. Appl. Phys. },
248 Keywords = {ice-ice friction},
249 Number = {6},
250 Pages = {3745},
251 Title = {Shear cell experiments of snow and ice friction},
252 Volume = {69},
253 Year = {1991}}
254
255 @article{Golding10,
256 Author = {N. Golding, E. M. Schulson, C. E. Renshaw},
257 Date-Added = {2014-12-04 15:28:06 +0000},
258 Date-Modified = {2014-12-04 15:29:04 +0000},
259 Journal = {Acta Materialia},
260 Pages = {5043-5056},
261 Title = {Shear faulting and localized heating in ice: The influence of confinement},
262 Volume = {58},
263 Year = {2010}}
264
265 @article{Samadashvili13,
266 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.},
267 Author = {N. Samadashvili, B. Reischl, T. Hynninen, T. Ala-Nissila, A. S. Foster},
268 Date-Added = {2014-12-04 14:55:07 +0000},
269 Date-Modified = {2014-12-04 14:57:39 +0000},
270 Journal = {Friction},
271 Keywords = {ice friction},
272 Pages = {242-251},
273 Title = {Atomistic simulations of friction at an ice-ice interface},
274 Volume = {1},
275 Year = {2013}}
276
277 @article{Sanz04,
278 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. },
279 Author = {E. Sanz, C. Vega, J. L. F. Abascal, L. G. MacDowell},
280 Date-Added = {2014-11-25 17:32:43 +0000},
281 Date-Modified = {2014-11-25 17:38:28 +0000},
282 Journal = {J. Chem. Phys.},
283 Keywords = {Ice, phase diagram, TIP4P, TIP5P},
284 Number = {2},
285 Pages = {1165},
286 Title = {Tracing the phase diagram of the gour-site water potential (TIP4P)},
287 Volume = {121},
288 Year = {2004}}
289
290 @article{Zhang14,
291 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.},
292 Author = {Xiang-Xiong, Min Chen, Ming Fu},
293 Date-Added = {2014-11-21 19:45:57 +0000},
294 Date-Modified = {2014-11-21 19:49:05 +0000},
295 Journal = {J. Chem. Phys.},
296 Pages = {124709},
297 Title = {Impact of surface nanostructure on ice nucleation},
298 Volume = {141},
299 Year = {2014}}
300
301 @article{Conde08,
302 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. },
303 Author = {M. M. Conde, C. Vega, A. Patrykiejew},
304 Date-Added = {2014-11-21 19:16:18 +0000},
305 Date-Modified = {2014-12-04 22:38:15 +0000},
306 Journal = {J. Chem. Phys.},
307 Keywords = {QLL},
308 Pages = {014702-1},
309 Title = {The thickness of a liquid layer on the free surface of ice as obtained from computer simulation},
310 Volume = {129},
311 Year = {2008}}
312
313 @article{Limmer14,
314 Author = {David T. Limmer and David Chandler},
315 Date-Added = {2014-11-19 19:31:03 +0000},
316 Date-Modified = {2014-12-04 22:47:00 +0000},
317 Journal = {J. Chem. Phys.},
318 Keywords = {QLL, mW model},
319 Pages = {18C505-1},
320 Title = {Premelting, fluctuations, and coarse-graining of water-ice interface},
321 Volume = {141},
322 Year = {2014}}
323
324 @article{Louden13,
325 Author = {Louden, Patrick B. and Gezelter, J. Daniel},
326 Date-Added = {2014-06-24 14:10:37 +0000},
327 Date-Modified = {2014-06-24 14:10:53 +0000},
328 Doi = {http://dx.doi.org/10.1063/1.4832378},
329 Eid = 194710,
330 Journal = {The Journal of Chemical Physics},
331 Number = {19},
332 Pages = {-},
333 Title = {Simulations of solid-liquid friction at ice-Ih/water interfaces},
334 Url = {http://scitation.aip.org/content/aip/journal/jcp/139/19/10.1063/1.4832378},
335 Volume = {139},
336 Year = {2013},
337 Bdsk-Url-1 = {http://scitation.aip.org/content/aip/journal/jcp/139/19/10.1063/1.4832378},
338 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.4832378}}
339
340 @article{Beaglehole93,
341 Author = {Beaglehole, D. and Wilson, P.},
342 Date-Added = {2013-09-10 14:24:51 +0000},
343 Date-Modified = {2013-09-10 14:24:58 +0000},
344 Doi = {10.1021/j100144a025},
345 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100144a025},
346 Journal = {The Journal of Physical Chemistry},
347 Number = {42},
348 Pages = {11053-11055},
349 Title = {Thickness and anisotropy of the ice-water interface},
350 Url = {http://pubs.acs.org/doi/abs/10.1021/j100144a025},
351 Volume = {97},
352 Year = {1993},
353 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100144a025},
354 Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100144a025}}
355
356 @article{Bryk02,
357 Author = {Taras Bryk and A. D. J. Haymet},
358 Date-Added = {2013-09-10 14:23:32 +0000},
359 Date-Modified = {2013-09-10 14:23:42 +0000},
360 Doi = {10.1063/1.1519538},
361 Journal = {The Journal of Chemical Physics},
362 Keywords = {liquid structure; molecular dynamics method; water; ice; interface structure},
363 Number = {22},
364 Pages = {10258-10268},
365 Publisher = {AIP},
366 Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
367 Url = {http://link.aip.org/link/?JCP/117/10258/1},
368 Volume = {117},
369 Year = {2002},
370 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/117/10258/1},
371 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1519538}}
372
373 @article{Gay02,
374 Author = {S. C. Gay and E. J. Smith and A. D. J. Haymet},
375 Date-Added = {2013-09-10 14:22:50 +0000},
376 Date-Modified = {2013-09-10 14:22:54 +0000},
377 Doi = {10.1063/1.1471556},
378 Journal = {The Journal of Chemical Physics},
379 Keywords = {ice; melting; molecular dynamics method; crystal structure; digital simulation},
380 Number = {20},
381 Pages = {8876-8880},
382 Publisher = {AIP},
383 Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
384 Url = {http://link.aip.org/link/?JCP/116/8876/1},
385 Volume = {116},
386 Year = {2002},
387 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/116/8876/1},
388 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1471556}}
389
390 @article{Duman:2001qy,
391 Author = {Duman, John G},
392 Date-Added = {2013-09-10 14:21:59 +0000},
393 Date-Modified = {2013-09-10 14:22:07 +0000},
394 Doi = {10.1146/annurev.physiol.63.1.327},
395 Eprint = {http://www.annualreviews.org/doi/pdf/10.1146/annurev.physiol.63.1.327},
396 Journal = {Annual Review of Physiology},
397 Note = {PMID: 11181959},
398 Number = {1},
399 Pages = {327-357},
400 Title = {ANTIFREEZE AND ICE NUCLEATOR PROTEINS IN TERRESTRIAL ARTHROPODS},
401 Url = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physiol.63.1.327},
402 Volume = {63},
403 Year = {2001},
404 Bdsk-Url-1 = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physiol.63.1.327},
405 Bdsk-Url-2 = {http://dx.doi.org/10.1146/annurev.physiol.63.1.327}}
406
407 @article{Chapsky97,
408 Author = {Chapsky, Lars and Rubinsky, Boris},
409 Date = {1997/07/21},
410 Date-Added = {2013-09-10 14:21:02 +0000},
411 Date-Modified = {2013-09-10 14:21:09 +0000},
412 Id = {S0014-5793(97)00787-4},
413 Isbn = {0014-5793},
414 Journal = {FEBS letters},
415 Journal1 = {FEBS letters},
416 Journal2 = {FEBS Lett},
417 Keywords = {Antifreeze proteins; Protein adsorption; Temperature gradient thermometry; Ice},
418 Month = {07},
419 Number = {1},
420 Pages = {241--244},
421 Publisher = {Elsevier Science B.V.},
422 Title = {Kinetics of antifreeze protein-induced ice growth inhibition},
423 Ty = {ABST},
424 Url = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true},
425 Volume = {412},
426 Year = {1997},
427 Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0014579397007874?showall=true}}
428
429 @article{Weber83,
430 Annote = {doi: 10.1021/j100244a057},
431 Author = {Weber, Thomas A. and Stillinger, Frank H.},
432 Booktitle = {The Journal of Physical Chemistry},
433 Da = {1983/10/01},
434 Date = {1983/10/01},
435 Date-Added = {2013-09-10 14:20:08 +0000},
436 Date-Modified = {2013-09-10 14:20:17 +0000},
437 Doi = {10.1021/j100244a057},
438 Isbn = {0022-3654},
439 Journal = {The Journal of Physical Chemistry},
440 Journal1 = {J. Phys. Chem.},
441 M3 = {doi: 10.1021/j100244a057},
442 Month = {2013/09/10},
443 Number = {21},
444 Pages = {4277--4281},
445 Publisher = {American Chemical Society},
446 Title = {Molecular dynamics study of ice crystallite melting},
447 Ty = {JOUR},
448 Url = {http://dx.doi.org/10.1021/j100244a057},
449 Volume = {87},
450 Year = {1983},
451 Year1 = {1983},
452 Bdsk-Url-1 = {http://dx.doi.org/10.1021/j100244a057}}
453
454 @article{Han92,
455 Author = {Han, K. and Hale, B. N.},
456 Date-Added = {2013-09-10 14:19:03 +0000},
457 Date-Modified = {2013-09-10 14:19:07 +0000},
458 Doi = {10.1103/PhysRevB.45.29},
459 Issue = {1},
460 Journal = {Phys. Rev. B},
461 Month = {Jan},
462 Pages = {29--35},
463 Publisher = {American Physical Society},
464 Title = {Monte Carlo study of a simple model bulk-ice-Ih system: \textit{P} - \textit{T} melting behavior at constant volume},
465 Url = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
466 Volume = {45},
467 Year = {1992},
468 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevB.45.29},
469 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevB.45.29}}
470
471 @article{Hayward02,
472 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.},
473 Author = {Hayward, Jennifer A. and Haymet, A. D. J.},
474 Date-Added = {2013-09-10 14:18:04 +0000},
475 Date-Modified = {2013-09-10 14:18:11 +0000},
476 Doi = {10.1039/B202039D},
477 Issue = {15},
478 Journal = {Phys. Chem. Chem. Phys.},
479 Pages = {3712-3719},
480 Publisher = {The Royal Society of Chemistry},
481 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},
482 Url = {http://dx.doi.org/10.1039/B202039D},
483 Volume = {4},
484 Year = {2002},
485 Bdsk-Url-1 = {http://dx.doi.org/10.1039/B202039D}}
486
487 @article{Nada95,
488 Author = {Hiroki Nada and Yoshinori Furukawa},
489 Date-Added = {2013-09-10 14:16:57 +0000},
490 Date-Modified = {2013-09-10 14:17:03 +0000},
491 Doi = {10.1143/JJAP.34.583},
492 Journal = {Japanese Journal of Applied Physics},
493 Number = {Part 1, No. 2A},
494 Numpages = {5},
495 Pages = {583-588},
496 Publisher = {The Japan Society of Applied Physics},
497 Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
498 Url = {http://jjap.jsap.jp/link?JJAP/34/583/},
499 Volume = {34},
500 Year = {1995},
501 Bdsk-Url-1 = {http://jjap.jsap.jp/link?JJAP/34/583/},
502 Bdsk-Url-2 = {http://dx.doi.org/10.1143/JJAP.34.583}}
503
504 @article{Nada12,
505 Author = {Nada, Hiroki and Furukawa, Yoshinori},
506 Date = {2012/07//print},
507 Date-Added = {2013-09-10 14:15:54 +0000},
508 Date-Modified = {2013-09-10 14:16:01 +0000},
509 Isbn = {0032-3896},
510 Journal = {Polym J},
511 Month = {07},
512 Number = {7},
513 Pages = {690--698},
514 Publisher = {The Society of Polymer Science, Japan},
515 Title = {Antifreeze proteins: computer simulation studies on the mechanism of ice growth inhibition},
516 Ty = {JOUR},
517 Url = {http://dx.doi.org/10.1038/pj.2012.13},
518 Volume = {44},
519 Year = {2012},
520 Bdsk-Url-1 = {http://dx.doi.org/10.1038/pj.2012.13}}
521
522 @article{Ewald,
523 Author = {Christopher J. Fennell and J. Daniel Gezelter},
524 Date-Added = {2013-09-10 14:14:59 +0000},
525 Date-Modified = {2013-09-10 14:15:03 +0000},
526 Doi = {10.1063/1.2206581},
527 Eid = {234104},
528 Journal = {The Journal of Chemical Physics},
529 Keywords = {Lennard-Jones potential; liquid theory; molecular dynamics method},
530 Number = {23},
531 Numpages = {12},
532 Pages = {234104},
533 Publisher = {AIP},
534 Title = {Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics},
535 Url = {http://link.aip.org/link/?JCP/124/234104/1},
536 Volume = {124},
537 Year = {2006},
538 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/124/234104/1},
539 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.2206581}}
540
541 @article{Laage08,
542 Author = {Laage, Damien and Hynes, James T.},
543 Date-Added = {2013-09-10 13:29:18 +0000},
544 Date-Modified = {2013-09-10 13:29:25 +0000},
545 Doi = {10.1021/jp805217u},
546 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp805217u},
547 Journal = {The Journal of Physical Chemistry B},
548 Note = {PMID: 18942871},
549 Number = {45},
550 Pages = {14230-14242},
551 Title = {On the Molecular Mechanism of Water Reorientation},
552 Url = {http://pubs.acs.org/doi/abs/10.1021/jp805217u},
553 Volume = {112},
554 Year = {2008},
555 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp805217u},
556 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp805217u}}
557
558 @article{Kumar09,
559 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.},
560 Author = {Kumar, Pradeep and Buldyrev, Sergey V. and Stanley, H. Eugene},
561 Date-Added = {2013-09-10 13:27:51 +0000},
562 Date-Modified = {2013-09-10 13:27:58 +0000},
563 Doi = {10.1073/pnas.0911094106},
564 Eprint = {http://www.pnas.org/content/106/52/22130.full.pdf+html},
565 Journal = {Proceedings of the National Academy of Sciences},
566 Number = {52},
567 Pages = {22130-22134},
568 Title = {A tetrahedral entropy for water},
569 Url = {http://www.pnas.org/content/106/52/22130.abstract},
570 Volume = {106},
571 Year = {2009},
572 Bdsk-Url-1 = {http://www.pnas.org/content/106/52/22130.abstract},
573 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0911094106}}
574
575 @article{Furse08,
576 Author = {Furse, Kristina E. and Corcelli, Steven A.},
577 Date-Added = {2013-09-10 13:25:57 +0000},
578 Date-Modified = {2013-09-10 13:26:03 +0000},
579 Doi = {10.1021/ja803728g},
580 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ja803728g},
581 Journal = {Journal of the American Chemical Society},
582 Note = {PMID: 18767841},
583 Number = {39},
584 Pages = {13103-13109},
585 Title = {The Dynamics of Water at DNA Interfaces: Computational Studies of Hoechst 33258 Bound to DNA},
586 Url = {http://pubs.acs.org/doi/abs/10.1021/ja803728g},
587 Volume = {130},
588 Year = {2008},
589 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ja803728g},
590 Bdsk-Url-2 = {http://dx.doi.org/10.1021/ja803728g}}
591
592 @article{Pit99,
593 Author = {Pit, Remmelt and Hervet, Hubert and L{\'e}ger, Liliane},
594 Date-Added = {2013-09-09 22:18:25 +0000},
595 Date-Modified = {2013-09-09 22:18:35 +0000},
596 Doi = {10.1023/A:1019161101812},
597 Issn = {1023-8883},
598 Journal = {Tribology Letters},
599 Keywords = {slip; lubrication; friction; lyophobic; liquid--solid interface},
600 Language = {English},
601 Number = {2-3},
602 Pages = {147-152},
603 Publisher = {Kluwer Academic Publishers-Plenum Publishers},
604 Title = {Friction and slip of a simple liquid at a solid surface},
605 Url = {http://dx.doi.org/10.1023/A%3A1019161101812},
606 Volume = {7},
607 Year = {1999},
608 Bdsk-Url-1 = {http://dx.doi.org/10.1023/A%3A1019161101812},
609 Bdsk-Url-2 = {http://dx.doi.org/10.1023/A:1019161101812}}
610
611 @article{Berendsen87,
612 Author = {Berendsen, H. J. C. and Grigera, J. R. and Straatsma, T. P.},
613 Date-Added = {2013-09-09 22:17:15 +0000},
614 Date-Modified = {2013-09-09 22:17:24 +0000},
615 Doi = {10.1021/j100308a038},
616 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100308a038},
617 Journal = {The Journal of Physical Chemistry},
618 Number = {24},
619 Pages = {6269-6271},
620 Title = {The missing term in effective pair potentials},
621 Url = {http://pubs.acs.org/doi/abs/10.1021/j100308a038},
622 Volume = {91},
623 Year = {1987},
624 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/j100308a038},
625 Bdsk-Url-2 = {http://dx.doi.org/10.1021/j100308a038}}
626
627 @article{Wilson10,
628 Author = {Wilson, P. W. and Haymet, A. D. J.},
629 Date-Added = {2013-09-09 22:15:46 +0000},
630 Date-Modified = {2013-09-09 22:16:06 +0000},
631 Doi = {10.1021/jp105001c},
632 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp105001c},
633 Journal = {The Journal of Physical Chemistry B},
634 Number = {39},
635 Pages = {12585-12588},
636 Title = {Effect of Ice Growth Rate on the Measured Workman - Reynolds Freezing Potential between Ice and Dilute NaCl Solutions},
637 Url = {http://pubs.acs.org/doi/abs/10.1021/jp105001c},
638 Volume = {114},
639 Year = {2010},
640 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp105001c},
641 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp105001c}}
642
643 @article{Karim88,
644 Author = {Omar A. Karim and A. D. J. Haymet},
645 Date-Added = {2013-09-09 22:12:57 +0000},
646 Date-Modified = {2013-09-09 22:13:11 +0000},
647 Doi = {10.1063/1.455363},
648 Journal = {The Journal of Chemical Physics},
649 Keywords = {ICE; WATER; INTERFACE STRUCTURE; MOLECULAR DYNAMICS CALCULATIONS; CORRELATION FUNCTIONS},
650 Number = {11},
651 Pages = {6889-6896},
652 Publisher = {AIP},
653 Title = {The ice/water interface: A molecular dynamics simulation study},
654 Url = {http://link.aip.org/link/?JCP/89/6889/1},
655 Volume = {89},
656 Year = {1988},
657 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/89/6889/1},
658 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.455363}}
659
660 @article{Hayward01,
661 Author = {Jennifer A. Hayward and A. D. J. Haymet},
662 Date-Added = {2013-09-09 22:11:25 +0000},
663 Date-Modified = {2013-09-09 22:11:33 +0000},
664 Doi = {10.1063/1.1333680},
665 Journal = {The Journal of Chemical Physics},
666 Keywords = {ice; water; molecular dynamics method; interface phenomena; density; diffusion},
667 Number = {8},
668 Pages = {3713-3726},
669 Publisher = {AIP},
670 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},
671 Url = {http://link.aip.org/link/?JCP/114/3713/1},
672 Volume = {114},
673 Year = {2001},
674 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/114/3713/1},
675 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1333680}}
676
677 @article{Karim90,
678 Author = {Omar A. Karim and Paul A. Kay and A. D. J. Haymet},
679 Date-Added = {2013-09-09 22:10:33 +0000},
680 Date-Modified = {2013-09-09 22:10:40 +0000},
681 Doi = {10.1063/1.457730},
682 Journal = {The Journal of Chemical Physics},
683 Keywords = {ICE; WATER; INTERFACES; COMPUTERIZED SIMULATION; MOLECULAR DYNAMICS CALCULATIONS; INTERFACE STRUCTURE; SURFACE PROPERTIES; MOLECULAR ORIENTATION; DIFFUSION; DENSITY},
684 Number = {7},
685 Pages = {4634-4635},
686 Publisher = {AIP},
687 Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
688 Url = {http://link.aip.org/link/?JCP/92/4634/1},
689 Volume = {92},
690 Year = {1990},
691 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/92/4634/1},
692 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.457730}}
693
694 @article{Hirsch04,
695 Author = {Hirsch, Tomas K. and Ojam{\"a}e, Lars},
696 Date-Added = {2013-09-09 18:46:26 +0000},
697 Date-Modified = {2013-09-09 18:47:19 +0000},
698 Doi = {10.1021/jp048434u},
699 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp048434u},
700 Journal = {The Journal of Physical Chemistry B},
701 Number = {40},
702 Pages = {15856-15864},
703 Title = {Quantum-Chemical and Force-Field Investigations of Ice Ih: Computation of Proton-Ordered Structures and Prediction of Their Lattice Energies},
704 Url = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
705 Volume = {108},
706 Year = {2004},
707 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp048434u},
708 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp048434u}}
709
710 @article{Laage11,
711 Author = {Laage, Damien and Stirnemann, Guillaume and Sterpone, Fabio and Rey, Rossend and Hynes, James T.},
712 Date-Added = {2013-09-09 18:43:55 +0000},
713 Date-Modified = {2013-09-09 18:44:03 +0000},
714 Doi = {10.1146/annurev.physchem.012809.103503},
715 Eprint = {http://www.annualreviews.org/doi/pdf/10.1146/annurev.physchem.012809.103503},
716 Journal = {Annual Review of Physical Chemistry},
717 Note = {PMID: 21219140},
718 Number = {1},
719 Pages = {395-416},
720 Title = {Reorientation and Allied Dynamics in Water and Aqueous Solutions},
721 Url = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
722 Volume = {62},
723 Year = {2011},
724 Bdsk-Url-1 = {http://www.annualreviews.org/doi/abs/10.1146/annurev.physchem.012809.103503},
725 Bdsk-Url-2 = {http://dx.doi.org/10.1146/annurev.physchem.012809.103503}}
726
727 @article{PhysRevLett.70.2726,
728 Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
729 Date-Added = {2013-09-09 17:57:57 +0000},
730 Date-Modified = {2013-09-09 17:57:57 +0000},
731 Doi = {10.1103/PhysRevLett.70.2726},
732 Issue = {18},
733 Journal = {Phys. Rev. Lett.},
734 Month = {May},
735 Pages = {2726--2729},
736 Publisher = {American Physical Society},
737 Title = {Hydrodynamic boundary conditions and correlation functions of confined fluids},
738 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
739 Volume = {70},
740 Year = {1993},
741 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.70.2726},
742 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.70.2726}}
743
744 @article{PhysRevE.49.3079,
745 Author = {Bocquet, Lyd\'eric and Barrat, Jean-Louis},
746 Date-Added = {2013-09-09 17:57:29 +0000},
747 Date-Modified = {2013-09-09 17:57:29 +0000},
748 Doi = {10.1103/PhysRevE.49.3079},
749 Issue = {4},
750 Journal = {Phys. Rev. E},
751 Month = {Apr},
752 Pages = {3079--3092},
753 Publisher = {American Physical Society},
754 Title = {Hydrodynamic boundary conditions, correlation functions, and Kubo relations for confined fluids},
755 Url = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
756 Volume = {49},
757 Year = {1994},
758 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevE.49.3079},
759 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevE.49.3079}}
760
761 @article{Mundy1997305,
762 Author = {Christopher J. Mundy and Sundaram Balasubramanian and Michael L. Klein},
763 Date-Added = {2013-09-09 17:02:36 +0000},
764 Date-Modified = {2013-09-09 18:38:42 +0000},
765 Doi = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4},
766 Issn = {0378-4371},
767 Journal = {Physica A: Statistical Mechanics and its Applications},
768 Number = {1--2},
769 Pages = {305 - 314},
770 Title = {Computation of the hydrodynamic boundary parameters of a confined fluid via non-equilibrium molecular dynamics},
771 Url = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
772 Volume = {240},
773 Year = {1997},
774 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/S0378437197001544},
775 Bdsk-Url-2 = {http://dx.doi.org/10.1016/S0378-4371(97)00154-4}}
776
777 @article{Bresme08,
778 Author = {Bresme, Fernando and Lervik, Anders and Bedeaux, Dick and Kjelstrup, Signe},
779 Date-Added = {2013-09-09 13:16:41 +0000},
780 Date-Modified = {2013-09-09 13:16:47 +0000},
781 Doi = {10.1103/PhysRevLett.101.020602},
782 Issue = {2},
783 Journal = {Phys. Rev. Lett.},
784 Month = {Jul},
785 Numpages = {4},
786 Pages = {020602},
787 Publisher = {American Physical Society},
788 Title = {Water Polarization under Thermal Gradients},
789 Url = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
790 Volume = {101},
791 Year = {2008},
792 Bdsk-Url-1 = {http://link.aps.org/doi/10.1103/PhysRevLett.101.020602},
793 Bdsk-Url-2 = {http://dx.doi.org/10.1103/PhysRevLett.101.020602}}
794
795 @article{Nada03,
796 Author = {Hiroki Nada and Jan P. J. M. van der Eerden},
797 Date-Added = {2013-09-09 13:15:08 +0000},
798 Date-Modified = {2013-09-09 13:15:17 +0000},
799 Doi = {10.1063/1.1562610},
800 Journal = {The Journal of Chemical Physics},
801 Keywords = {potential energy functions; ice; water; melting point; Monte Carlo methods; thermodynamic properties; liquid structure},
802 Number = {16},
803 Pages = {7401-7413},
804 Publisher = {AIP},
805 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},
806 Url = {http://link.aip.org/link/?JCP/118/7401/1},
807 Volume = {118},
808 Year = {2003},
809 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/118/7401/1},
810 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1562610}}
811
812 @article{Wierzbicki07,
813 Author = {Wierzbicki, Andrzej and Dalal, Pranav and Cheatham, Thomas E. and Knickelbein, Jared E. and Haymet, A. D. J. and Madura, Jeffry D.},
814 Date = {2007/09/01},
815 Date-Added = {2013-09-09 13:13:07 +0000},
816 Date-Modified = {2013-09-09 13:13:15 +0000},
817 Id = {S0006-3495(07)71405-4 DOI - 10.1529/biophysj.107.105189},
818 Isbn = {0006-3495},
819 Journal = {Biophysical journal},
820 Journal1 = {Biophysical journal},
821 Journal2 = {Biophys J},
822 Month = {09},
823 Number = {5},
824 Pages = {1442--1451},
825 Publisher = {Cell Press},
826 Title = {Antifreeze Proteins at the Ice/Water Interface: Three Calculated Discriminating Properties for Orientation of Type I Proteins},
827 Ty = {ABST},
828 Url = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054},
829 Volume = {93},
830 Year = {2007},
831 Bdsk-Url-1 = {http://linkinghub.elsevier.com/retrieve/pii/S0006349507714054}}
832
833 @article{OOPSE,
834 Author = {Meineke, Matthew A. and Vardeman, Charles F. and Lin, Teng and Fennell, Christopher J. and Gezelter, J. Daniel},
835 Date-Added = {2013-09-03 20:42:45 +0000},
836 Date-Modified = {2013-09-03 20:42:45 +0000},
837 Doi = {10.1002/jcc.20161},
838 Issn = {1096-987X},
839 Journal = {Journal of Computational Chemistry},
840 Keywords = {OOPSE, molecular dynamics},
841 Number = {3},
842 Pages = {252--271},
843 Publisher = {Wiley Subscription Services, Inc., A Wiley Company},
844 Title = {OOPSE: An object-oriented parallel simulation engine for molecular dynamics},
845 Url = {http://dx.doi.org/10.1002/jcc.20161},
846 Volume = {26},
847 Year = {2005},
848 Bdsk-Url-1 = {http://dx.doi.org/10.1002/jcc.20161}}
849
850 @misc{openmd,
851 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},
852 Date-Added = {2013-09-03 20:42:37 +0000},
853 Date-Modified = {2013-09-03 20:42:37 +0000},
854 Howpublished = {Available at {\tt http://openmd.org}},
855 Title = {{OpenMD, an Open Source Engine for Molecular Dynamics}}}
856
857 @article{Buch:2008fk,
858 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.},
859 Author = {Buch, V. and Groenzin, H. and Li, I. and Shultz, M. J. and Tosatti, E.},
860 Date-Added = {2013-09-03 20:15:03 +0000},
861 Date-Modified = {2013-09-03 20:15:11 +0000},
862 Doi = {10.1073/pnas.0710129105},
863 Eprint = {http://www.pnas.org/content/105/16/5969.full.pdf+html},
864 Journal = {Proceedings of the National Academy of Sciences},
865 Number = {16},
866 Pages = {5969-5974},
867 Title = {Proton order in the ice crystal surface},
868 Url = {http://www.pnas.org/content/105/16/5969.abstract},
869 Volume = {105},
870 Year = {2008},
871 Bdsk-Url-1 = {http://www.pnas.org/content/105/16/5969.abstract},
872 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.0710129105}}
873
874 @article{Wilson08,
875 Author = {Wilson, P. W. and Haymet, A. D. J.},
876 Date-Added = {2013-09-03 20:09:39 +0000},
877 Date-Modified = {2013-09-09 22:14:12 +0000},
878 Doi = {10.1021/jp804047x},
879 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/jp804047x},
880 Journal = {The Journal of Physical Chemistry B},
881 Note = {PMID: 18720967},
882 Number = {37},
883 Pages = {11750-11755},
884 Title = {Workman - Reynolds Freezing Potential Measurements between Ice and Dilute Salt Solutions for Single Ice Crystal Faces},
885 Url = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
886 Volume = {112},
887 Year = {2008},
888 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/jp804047x},
889 Bdsk-Url-2 = {http://dx.doi.org/10.1021/jp804047x}}
890
891 @article{Smith05,
892 Author = {E. J. Smith and T. Bryk and A. D. J. Haymet},
893 Date-Added = {2013-09-03 20:03:24 +0000},
894 Date-Modified = {2013-09-03 20:03:30 +0000},
895 Doi = {10.1063/1.1953578},
896 Eid = {034706},
897 Journal = {The Journal of Chemical Physics},
898 Keywords = {chlorine; sodium; ice; water; positive ions; negative ions; free energy; solvation; molecular dynamics method; interface phenomena; melting point},
899 Number = {3},
900 Numpages = {16},
901 Pages = {034706},
902 Publisher = {AIP},
903 Title = {Free energy of solvation of simple ions: Molecular-dynamics study of solvation of Cl[sup -] and Na[sup +] in the ice/water interface},
904 Url = {http://link.aip.org/link/?JCP/123/034706/1},
905 Volume = {123},
906 Year = {2005},
907 Bdsk-Url-1 = {http://link.aip.org/link/?JCP/123/034706/1},
908 Bdsk-Url-2 = {http://dx.doi.org/10.1063/1.1953578}}
909
910 @article{Sakai96,
911 Author = {Hideki Sakai},
912 Date-Added = {2013-09-03 20:01:26 +0000},
913 Date-Modified = {2013-09-03 20:01:36 +0000},
914 Doi = {http://dx.doi.org/10.1016/0039-6028(96)01033-3},
915 Issn = {0039-6028},
916 Journal = {Surface Science},
917 Keywords = {Surface melting},
918 Number = {3},
919 Pages = {387 - 392},
920 Title = {How does a slab-shaped solid melt?},
921 Url = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
922 Volume = {348},
923 Year = {1996},
924 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602896010333},
925 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(96)01033-3}}
926
927 @article{Sakai96B,
928 Author = {Hideki Sakai},
929 Date-Added = {2013-09-03 20:00:35 +0000},
930 Date-Modified = {2013-09-03 20:01:43 +0000},
931 Doi = {http://dx.doi.org/10.1016/0039-6028(95)01263-X},
932 Issn = {0039-6028},
933 Journal = {Surface Science},
934 Keywords = {Surface melting},
935 Number = {1--3},
936 Pages = {285 - 291},
937 Title = {Surface-induced melting of small particles},
938 Url = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
939 Volume = {351},
940 Year = {1996},
941 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/003960289501263X},
942 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)01263-X}}
943
944 @article{Vanfleet95,
945 Author = {Richard R. Vanfleet and J.M. Mochel},
946 Date-Added = {2013-09-03 19:59:42 +0000},
947 Date-Modified = {2013-09-03 19:59:51 +0000},
948 Doi = {http://dx.doi.org/10.1016/0039-6028(95)00728-8},
949 Issn = {0039-6028},
950 Journal = {Surface Science},
951 Keywords = {Wetting},
952 Number = {1--2},
953 Pages = {40 - 50},
954 Title = {Thermodynamics of melting and freezing in small particles},
955 Url = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
956 Volume = {341},
957 Year = {1995},
958 Bdsk-Url-1 = {http://www.sciencedirect.com/science/article/pii/0039602895007288},
959 Bdsk-Url-2 = {http://dx.doi.org/10.1016/0039-6028(95)00728-8}}
960
961 @article{Granasy95,
962 Author = {Granasy, Laszlo},
963 Date-Added = {2013-09-03 19:58:11 +0000},
964 Date-Modified = {2013-09-03 19:58:23 +0000},
965 Doi = {10.1021/j100038a061},
966 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/j100038a061},
967 Journal = {The Journal of Physical Chemistry},
968 Number = {38},
969 Pages = {14182-14187},
970 Title = {Diffuse Interface Analysis of Ice Nucleation in Undercooled Water},
971 Url = {http://pubs.acs.org/doi/abs/10.1021/j100038a061},
972 Volume = {99},
973 Year = {1995},
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976
977 @article{Meister29012013,
978 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.},
979 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},
980 Date-Added = {2013-09-03 19:22:18 +0000},
981 Date-Modified = {2013-09-03 19:22:18 +0000},
982 Doi = {10.1073/pnas.1214911110},
983 Eprint = {http://www.pnas.org/content/110/5/1617.full.pdf+html},
984 Journal = {Proceedings of the National Academy of Sciences},
985 Number = {5},
986 Pages = {1617-1622},
987 Title = {Long-range protein--water dynamics in hyperactive insect antifreeze proteins},
988 Url = {http://www.pnas.org/content/110/5/1617.abstract},
989 Volume = {110},
990 Year = {2013},
991 Bdsk-Url-1 = {http://www.pnas.org/content/110/5/1617.abstract},
992 Bdsk-Url-2 = {http://dx.doi.org/10.1073/pnas.1214911110}}
993
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996 Date-Added = {2013-08-30 00:03:37 +0000},
997 Date-Modified = {2013-09-03 19:53:16 +0000},
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999 Pages = {242-256},
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1011 Volume = {112},
1012 Year = {2004}}
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1027 Date-Added = {2013-07-11 21:25:47 +0000},
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1030 Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ct300193e},
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1035 Url = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
1036 Volume = {8},
1037 Year = {2012},
1038 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
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1177 Volume = {10},
1178 Year = {1957}}
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1209 Year = {1972}}
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1219 Year = {1983}}
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1239 Year = {1984}}
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1255 Date-Modified = {2013-07-12 19:43:31 +0000},
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1260 Volume = {138},
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1263 @article{Batista01,
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1265 Date-Added = {2013-01-25 21:50:07 +0000},
1266 Date-Modified = {2013-07-12 19:41:28 +0000},
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1273 @article{Campo10,
1274 Author = {M. G. Campo},
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1321 Volume = {110},
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1324 @article{Kuang10,
1325 Author = {S. Kuang and J. D. Gezelter},
1326 Date-Added = {2013-01-25 21:27:09 +0000},
1327 Date-Modified = {2013-07-12 19:43:49 +0000},
1328 Journal = {J. Chem. Phys.},
1329 Pages = {164101},
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1331 Volume = {133},
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1333
1334 @article{Bryk04b,
1335 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.},
1336 Author = {Bryk, Taras and Haymet, A.D.J.},
1337 Date-Modified = {2014-12-04 18:01:49 +0000},
1338 Doi = {doi:10.1080/0892702031000152172},
1339 Journal = {Molecular Simulation},
1340 Keyword = {Ice, Melting temperature, Phase diagram, Water},
1341 Number = {2-1},
1342 Pages = {131-135},
1343 Title = {The Ice/Water Interface: Density-Temperature Phase Diagram for the SPC/E Model of Liquid Water},
1344 Url = {http://www.ingentaconnect.com/content/tandf/gmos/2004/00000030/F0020002/art00009},
1345 Volume = {30},
1346 Year = {2004},
1347 Bdsk-Url-1 = {http://www.ingentaconnect.com/content/tandf/gmos/2004/00000030/F0020002/art00009},
1348 Bdsk-Url-2 = {http://dx.doi.org/10.1080/0892702031000152172}}