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1 plouden 4192 %% This BibTeX bibliography file was created using BibDesk.
2     %% http://bibdesk.sourceforge.net/
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5 plouden 4231 %% Created for Patrick Louden at 2014-12-05 19:41:47 -0500
6 plouden 4192
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8     %% Saved with string encoding Unicode (UTF-8)
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11    
12 plouden 4231 @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 plouden 4230 @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 plouden 4231 Author = {E. Sanz and C. Vega and J. L. F. Abascal and L. G. MacDowell},
227 plouden 4230 Date-Added = {2014-12-04 18:59:12 +0000},
228 plouden 4231 Date-Modified = {2014-12-05 19:30:52 +0000},
229 plouden 4230 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 plouden 4231 Author = {N. Samadashvili and B. Reischl and T. Hynninen and T. Ala-Nissila and A. S. Foster},
401 plouden 4230 Date-Added = {2014-12-04 14:55:07 +0000},
402 plouden 4231 Date-Modified = {2014-12-05 19:29:39 +0000},
403 plouden 4230 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 plouden 4231 Author = {E. Sanz and C. Vega and J. L. F. Abascal and L. G. MacDowell},
413 plouden 4230 Date-Added = {2014-11-25 17:32:43 +0000},
414 plouden 4231 Date-Modified = {2014-12-05 19:30:08 +0000},
415 plouden 4230 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 plouden 4192 @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 Ï„Q 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 Ï„Q 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},
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1467 plouden 4230 @article{Bryk04b,
1468 plouden 4192 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 plouden 4230 Date-Modified = {2014-12-04 18:01:49 +0000},
1471 plouden 4192 Doi = {doi:10.1080/0892702031000152172},
1472     Journal = {Molecular Simulation},
1473     Keyword = {Ice, Melting temperature, Phase diagram, Water},
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1475     Pages = {131-135},
1476     Title = {The Ice/Water Interface: Density-Temperature Phase Diagram for the SPC/E Model of Liquid Water},
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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}}