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root/group/trunk/iceWater/iceWater.bib
Revision: 3924
Committed: Fri Jul 19 18:25:04 2013 UTC (11 years, 1 month ago) by plouden
File size: 18317 byte(s)
Log Message:
fixed calculation of coeff. fric. for interface, should have been 1/slope, not just slope.

File Contents

# User Rev Content
1 gezelter 3897 %% This BibTeX bibliography file was created using BibDesk.
2     %% http://bibdesk.sourceforge.net/
3    
4    
5 plouden 3924 %% Created for Patrick Louden at 2013-07-17 14:32:58 -0400
6 gezelter 3897
7    
8     %% Saved with string encoding Unicode (UTF-8)
9    
10    
11    
12 plouden 3924 @article{Bresme08,
13     Author = {F. Bresme and A. Lervik and D. Bedeaux and Signe Kjelstrup},
14     Date-Added = {2013-07-16 15:35:54 +0000},
15     Date-Modified = {2013-07-16 15:36:46 +0000},
16     Journal = {Physical Review Letters},
17     Pages = {020602},
18     Volume = {101},
19     Year = {2008}}
20 gezelter 3915
21 plouden 3924 @article{Nada12,
22     Author = {H. Nada, Y. Furukawa},
23     Date-Added = {2013-07-15 19:20:09 +0000},
24     Date-Modified = {2013-07-15 19:20:40 +0000},
25     Journal = {Polymer Journal},
26     Pages = {690-698},
27     Volume = {44},
28     Year = {2012}}
29 gezelter 3918
30 plouden 3924 @article{Smith05,
31     Author = {E. J. Smith and T. Bryk and A. D. J. Haymet},
32     Date-Added = {2013-07-15 18:34:41 +0000},
33     Date-Modified = {2013-07-15 18:35:23 +0000},
34     Journal = {J. Chem. Phys.},
35     Pages = {034706},
36     Volume = {123},
37     Year = {2005}}
38 gezelter 3918
39 plouden 3924 @article{Bryk04,
40     Author = {T. Bryk and A. D. J. Haymet},
41     Date-Added = {2013-07-15 18:33:15 +0000},
42     Date-Modified = {2013-07-15 18:34:17 +0000},
43     Journal = {Journal of Molecular Liquids},
44     Pages = {47-50},
45     Title = {Charge separation at the ice/water interface: a molecular dynamics simulation study of solute ions at the ice basal plane},
46     Volume = {112},
47     Year = {2004}}
48 gezelter 3915
49 plouden 3924 @article{Wilson08,
50     Author = {P. W. Wilson and A. D. J. Haymet},
51     Date-Added = {2013-07-15 18:26:52 +0000},
52     Date-Modified = {2013-07-15 18:27:36 +0000},
53     Journal = {J. Phys. Chem.},
54     Pages = {11750-11755},
55     Volume = {112},
56     Year = {2008}}
57 gezelter 3918
58 plouden 3924 @article{Wilson10,
59     Author = {P. W. Wilson and A. D. J. Haymet},
60     Date-Added = {2013-07-15 18:25:02 +0000},
61     Date-Modified = {2013-07-15 18:26:04 +0000},
62     Journal = {J. Phys. Chem.},
63     Pages = {12585},
64     Title = {Effect of Ice Growth on the Measured WOrkman-Reynolds Freezing Potential between Ice and Dilute NaCl Soltutions},
65     Volume = {114},
66     Year = {2010}}
67 gezelter 3918
68 plouden 3924 @article{Chapsky97,
69     Author = {L. Chapsky and B. Rubinsky},
70     Date-Added = {2013-07-15 18:21:41 +0000},
71     Date-Modified = {2013-07-15 18:22:20 +0000},
72     Journal = {FEBS Letters},
73     Pages = {241-244},
74     Volume = {412},
75     Year = {1997}}
76 gezelter 3918
77 plouden 3924 @article{Wierzbicki07,
78     Author = {A. Wierzbicki and P. Dalal and T. E. Cheatham III and J. E. Knickelbein and A. D. J. Haymet and J. D. Madura},
79     Date-Added = {2013-07-15 18:19:56 +0000},
80     Date-Modified = {2013-07-15 18:21:13 +0000},
81     Journal = {Biophysical Journal},
82     Pages = {1442-1451},
83     Volume = {93},
84     Year = {2007}}
85 plouden 3899
86 plouden 3924 @article{Sakai96B,
87     Author = {H. Sakai},
88     Date-Added = {2013-07-15 17:39:26 +0000},
89     Date-Modified = {2013-07-15 17:40:03 +0000},
90     Journal = {Surf. Sci.},
91     Pages = {387},
92     Volume = {348},
93     Year = {1996}}
94 gezelter 3918
95 plouden 3924 @article{Sakai96,
96     Author = {H. Sakai},
97     Date-Added = {2013-07-15 17:38:37 +0000},
98     Date-Modified = {2013-07-15 17:39:25 +0000},
99     Journal = {Surf. Sci. },
100     Pages = {285},
101     Volume = {351},
102     Year = {1996}}
103 gezelter 3918
104 plouden 3924 @article{Vanfleet95,
105     Author = {R. R. Vanfleet and J. M. Mochel},
106     Date-Added = {2013-07-15 17:33:14 +0000},
107     Date-Modified = {2013-07-15 17:33:54 +0000},
108     Journal = {Surf. Sci.},
109     Pages = {40},
110     Volume = {341},
111     Year = {1995}}
112 plouden 3898
113 plouden 3924 @article{Granasy95,
114     Author = {L. Granasy},
115     Date-Added = {2013-07-15 17:32:36 +0000},
116     Date-Modified = {2013-07-15 17:33:12 +0000},
117     Journal = {J. Phys. Chem.},
118     Pages = {14182},
119     Volume = {99},
120     Year = {1995}}
121 plouden 3898
122 plouden 3924 @article{Han92,
123     Author = {K. Han and B. N. Hale},
124     Date-Added = {2013-07-15 17:31:38 +0000},
125     Date-Modified = {2013-07-15 17:32:34 +0000},
126     Journal = {Phys. Rev. B},
127     Pages = {29},
128     Volume = {45},
129     Year = {1992}}
130    
131     @article{Rick03,
132     Author = {S. W. Rick and A. D. J. Haymet},
133     Date-Added = {2013-07-15 16:05:32 +0000},
134     Date-Modified = {2013-07-15 16:06:41 +0000},
135     Journal = {J. Chem. Phys.},
136     Number = {20},
137     Pages = {9291-9296},
138     Title = {Dielectric constant and proton order and disorder in ice Ih: Monte Carlo computer simulations},
139     Volume = {118},
140     Year = {2003}}
141    
142 gezelter 3918 @article{Davidchack12,
143 plouden 3924 Author = {Davidchack, Ruslan L. and Handel, Richard and Anwar, Jamshed and Brukhno, Andrey V.},
144     Date-Added = {2013-07-11 21:25:47 +0000},
145     Date-Modified = {2013-07-11 21:34:56 +0000},
146     Doi = {10.1021/ct300193e},
147     Eprint = {http://pubs.acs.org/doi/pdf/10.1021/ct300193e},
148 gezelter 3918 Journal = {Journal of Chemical Theory and Computation},
149 plouden 3924 Number = {7},
150     Pages = {2383-2390},
151     Title = {Ice Ih--Water Interfacial Free Energy of Simple Water Models with Full Electrostatic Interactions},
152     Url = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
153 gezelter 3918 Volume = {8},
154     Year = {2012},
155 plouden 3924 Bdsk-Url-1 = {http://pubs.acs.org/doi/abs/10.1021/ct300193e},
156     Bdsk-Url-2 = {http://dx.doi.org/10.1021/ct300193e}}
157 gezelter 3918
158 plouden 3924 @article{Armstrong13,
159     Author = {J. A. Armstrong and F. Bresme},
160     Date-Added = {2013-07-11 19:35:13 +0000},
161     Date-Modified = {2013-07-12 19:40:42 +0000},
162     Journal = {J. Chem. Phys.},
163     Pages = {014504},
164     Title = {Water polarization induced by thermal gradients: Te extended simple point charge model (SPC/E)},
165     Volume = {139},
166     Year = {2013}}
167    
168     @article{Smith93,
169     Author = {P. E. Smith and W F. van Gunsteren},
170     Date-Added = {2013-06-19 17:39:04 +0000},
171     Date-Modified = {2013-07-12 19:44:47 +0000},
172     Journal = {Chem. Phys. Letters},
173     Number = {4},
174     Pages = {315-318},
175     Title = {The viscosity of SPC and SPC/E water at 277 and 300 K},
176     Volume = {215},
177     Year = {1993}}
178    
179     @article{Gonzalez10,
180     Author = {M. A. Gonzalez and J. L. F. Abascal},
181     Date-Added = {2013-06-19 17:30:15 +0000},
182     Date-Modified = {2013-07-12 19:42:54 +0000},
183     Journal = {J. Chem. Phys.},
184     Pages = {096101-1},
185     Title = {The shear viscosity of rigid water models},
186     Volume = {132},
187     Year = {2010}}
188    
189     @article{Balasubramanian96,
190     Author = {S. Balasubramanian and C. J. Mundy and M. L. Klein},
191     Date-Added = {2013-06-19 17:28:24 +0000},
192     Date-Modified = {2013-07-12 19:41:03 +0000},
193     Journal = {J. Chem. Phys.},
194     Number = {24},
195     Pages = {11190-11195},
196     Title = {Shear viscosity of polar fluids: Molecular dynamics calculations of water},
197     Volume = {105},
198     Year = {1996}}
199    
200     @article{Guo01,
201     Author = {G. Guo and Y. Zhang},
202     Date-Added = {2013-06-19 17:27:08 +0000},
203     Date-Modified = {2013-07-12 19:43:00 +0000},
204 plouden 3898 Journal = {Molecular Physics},
205 plouden 3924 Number = {4},
206     Pages = {283-289},
207     Title = {Equilibrium molecular dynamics calculation of the bulk viscosity of liquid water},
208     Volume = {99},
209     Year = {2001}}
210 plouden 3898
211 plouden 3924 @article{Hess02,
212     Author = {B. Hess},
213     Date-Added = {2013-06-19 17:19:04 +0000},
214     Date-Modified = {2013-06-19 17:20:27 +0000},
215     Journal = {J. Chem. Phys.},
216     Number = {1},
217     Pages = {209-217},
218     Title = {Determining the shear viscosity of model liquids from molecular dynamics simulations},
219     Volume = {116},
220     Year = {2002}}
221 plouden 3898
222 plouden 3924 @article{Balasubramanian99,
223     Author = {S. Balasubramanian and C. J. Mundy},
224     Date-Added = {2013-06-13 16:47:33 +0000},
225     Date-Modified = {2013-07-12 19:41:12 +0000},
226     Journal = {Bull. Mater. Sci.},
227     Number = {5},
228     Pages = {873-876},
229     Title = {Calculation of friction coefficient of a solid-liquid interface via a non-equilibrium molecular dynamics simulation},
230     Volume = {22},
231     Year = {1999}}
232    
233 gezelter 3897 @article{Arbuckle02,
234 plouden 3924 Author = {B. W. Arbuckle and P. Clancy},
235     Date-Added = {2013-04-26 19:34:32 +0000},
236     Date-Modified = {2013-07-12 19:40:33 +0000},
237     Journal = {J. Chem. Phys.},
238     Number = {12},
239     Pages = {5090-5098},
240 gezelter 3897 Title = {Effects of the Ewald sum on the free energy of the extended simple point charge model for water},
241     Volume = {116},
242 plouden 3924 Year = {2002}}
243 gezelter 3897
244 plouden 3924 @article{Baez95,
245     Author = {L. A. Baez and P. Clancy},
246     Date-Added = {2013-04-17 20:31:40 +0000},
247     Date-Modified = {2013-07-12 19:40:50 +0000},
248     Journal = {J. Chem. Phys.},
249     Number = {22},
250     Pages = {9744-9755},
251     Title = {Phase equilibria in extended simple point charge ice-water systems},
252     Volume = {103},
253     Year = {1995}}
254 gezelter 3897
255 plouden 3924 @article{Nada95,
256     Author = {H. Nada and Y. Furukawa},
257     Date-Added = {2013-04-17 18:46:57 +0000},
258     Date-Modified = {2013-07-12 19:44:26 +0000},
259     Journal = {Jpn. J. Appl. Phys.},
260     Pages = {583-588},
261     Title = {Anisotropic Properties of Ice/Water Interface: A Molecular Dynamics Study},
262     Volume = {34},
263     Year = {1995}}
264    
265     @article{Nada03,
266     Author = {H. Nada and J. P. J. M. van der Eerden},
267     Date-Added = {2013-04-17 18:45:21 +0000},
268     Date-Modified = {2013-07-12 19:44:21 +0000},
269     Journal = {J. Chem. Phys.},
270     Number = {16},
271     Pages = {7401-7413},
272     Title = {An intermolecular potential model for the simulation of ice and water near the melting point: A six-sit model for H2O},
273     Volume = {118},
274     Year = {2003}}
275    
276     @article{Nada00,
277     Author = {H. Nada and Y. Furukawa},
278     Date-Added = {2013-04-17 18:43:16 +0000},
279     Date-Modified = {2013-07-12 19:44:13 +0000},
280     Journal = {Surface Science},
281     Pages = {1-16},
282     Title = {Anisotropy in structural transitions between basal and prismatic faces of ice studied by molecular dynamics simulation},
283     Volume = {446},
284     Year = {2000}}
285    
286 plouden 3919 @article{Bryk02,
287     Author = {T. Bryk and A. D. J. Haymet},
288     Date-Added = {2013-04-12 18:10:25 +0000},
289     Date-Modified = {2013-07-12 19:41:58 +0000},
290     Journal = {J. Chem. Phys.},
291     Number = {22},
292     Pages = {10258-10268},
293     Title = {Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces},
294     Volume = {117},
295     Year = {2002}}
296    
297 gezelter 3897 @article{Hayward02,
298 plouden 3924 Author = {J. A. Hayward and A. D. J. Haymet},
299     Date-Added = {2013-04-10 20:51:16 +0000},
300     Date-Modified = {2013-07-12 19:43:12 +0000},
301     Journal = {Phys. Chem. Chem. Phys.},
302     Pages = {3712-3719},
303     Title = {The ice/water interface: orientational order parameters for the basal, prism, {2021}, and {2110} interfaces of ice Ih},
304 gezelter 3897 Volume = {4},
305 plouden 3924 Year = {2002}}
306 gezelter 3897
307 plouden 3924 @article{Rick01,
308     Author = {S. W. Rick},
309     Date-Added = {2013-04-10 20:46:33 +0000},
310     Date-Modified = {2013-04-10 20:47:32 +0000},
311     Journal = {J. Chem. Phys.},
312     Number = {5},
313     Pages = {2276-2283},
314     Title = {Simulations of ice and liquid water over a range of temperatures using the fluctuating charge model},
315     Volume = {114},
316     Year = {2001}}
317 gezelter 3897
318     @article{Hayward01,
319 plouden 3924 Author = {J. A. Hayward and A. D. J. Haymet},
320     Date-Added = {2013-04-10 19:52:17 +0000},
321     Date-Modified = {2013-07-12 19:43:07 +0000},
322     Journal = {J. Chem. Phys.},
323     Number = {8},
324     Pages = {3713-3726},
325     Title = {The ice/water interface: Molecular dynamics simulations of the basal, prism, {2021}, and {2110} interfaces of ice 1h},
326 gezelter 3897 Volume = {114},
327 plouden 3924 Year = {2001}}
328 gezelter 3897
329     @article{Beaglehole93,
330 plouden 3924 Author = {D. Beaglehole and P. Wilson},
331     Date-Added = {2013-01-25 22:22:46 +0000},
332     Date-Modified = {2013-07-12 19:41:37 +0000},
333     Journal = {J. Phys. Chem.},
334     Pages = {11053-11055},
335     Title = {Thickness and Anisotropy of the Ice-Water Interface},
336 gezelter 3897 Volume = {97},
337 plouden 3924 Year = {1993}}
338 gezelter 3897
339 plouden 3924 @article{Barnaal67,
340     Author = {D. E. Barnaal and I. J. Lowe},
341     Date-Added = {2013-01-25 22:17:46 +0000},
342     Date-Modified = {2013-07-12 19:41:19 +0000},
343     Journal = {J. Chem. Phys.},
344     Number = {12},
345     Pages = {4800- 4809},
346     Title = {Experimental Free-Induction-Decay Shapes and Theoretical Second Moments for Hydrogen in Hexagonal Ice},
347     Volume = {46},
348     Year = {1967}}
349 gezelter 3897
350 plouden 3924 @article{Peterson57,
351     Author = {S. W. Peterson and H. A. Levy},
352     Date-Added = {2013-01-25 22:16:38 +0000},
353     Date-Modified = {2013-07-12 19:44:32 +0000},
354     Journal = {Acta Cryst.},
355     Pages = {70-76},
356     Title = {A Single-Crystal Neutron Diffraction Study of Heavy Ice},
357     Volume = {10},
358     Year = {1957}}
359 gezelter 3897
360 plouden 3924 @article{Huler76,
361     Author = {E. Huler and A. Zunger},
362     Date-Added = {2013-01-25 22:12:37 +0000},
363     Date-Modified = {2013-07-12 19:43:25 +0000},
364     Journal = {J. Chem. Phys.},
365     Pages = {433-440},
366     Title = {Calculation of the Equilibrium Configuration and Intermolecular Frequencies of Water Dimers and Hexagonal Ice},
367     Volume = {13},
368     Year = {1976}}
369 gezelter 3897
370 plouden 3924 @article{Weber83,
371     Author = {T. A. Weber and F. H. Stillinger},
372     Date-Added = {2013-01-25 22:08:55 +0000},
373     Date-Modified = {2013-07-12 19:45:05 +0000},
374     Journal = {J. Phys. Chem.},
375     Pages = {4277-4281},
376     Title = {Molecular Dynamics Study of Ice Crystallite Melting},
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378     Year = {1983}}
379 gezelter 3918
380 plouden 3924 @article{Rahman72,
381     Author = {A. Rahman and F. H. Stillinger},
382     Date-Added = {2013-01-25 22:07:43 +0000},
383     Date-Modified = {2013-07-12 19:44:37 +0000},
384     Journal = {J. Chem. Phys.},
385     Number = {9},
386     Pages = {4009-4017},
387     Title = {Proton Distribution in Ice and the Kirkwood Correlation Factor},
388     Volume = {57},
389     Year = {1972}}
390 gezelter 3918
391 plouden 3924 @article{Santry72,
392     Author = {D. P. Santry},
393     Date-Added = {2013-01-25 22:05:34 +0000},
394     Date-Modified = {2013-01-25 22:12:17 +0000},
395     Journal = {JACS},
396     Pages = {8311-8316},
397     Title = {Molecular Orbital Studies on Hexagonal Ice},
398     Volume = {94},
399     Year = {1972}}
400    
401     @article{Townsend83,
402     Author = {M. Townsend and S. A. Rice},
403     Date-Added = {2013-01-25 22:04:31 +0000},
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405     Journal = {J. Chem. Phys.},
406     Pages = {2496-2498},
407     Title = {A test of an effective pair potential for liquid water},
408     Volume = {79},
409     Year = {1983}}
410    
411     @article{Deutsch83,
412     Author = {P. W. Deutsch and B. N. Hale and R. C. Ward and D. A. Reago Jr.},
413     Date-Added = {2013-01-25 22:01:53 +0000},
414     Date-Modified = {2013-07-12 19:42:29 +0000},
415     Journal = {J. Phys. Chem.},
416     Pages = {4309-4311},
417     Title = {Theoretical Studies of the Surface of a Model Bulk Ice Ih near 300 K Using a Central Force Potential Model},
418 gezelter 3897 Volume = {87},
419 plouden 3924 Year = {1983}}
420 gezelter 3897
421 plouden 3924 @article{Davidson84,
422     Author = {E. R. Davidson and K. Morokuma},
423     Date-Added = {2013-01-25 22:00:42 +0000},
424     Date-Modified = {2013-07-12 19:42:16 +0000},
425     Journal = {J. Chem. Phys.},
426     Pages = {3741-3742},
427     Title = {A proposed antiferroelectric structure for proton ordered ice Ih},
428     Volume = {81},
429     Year = {1984}}
430 gezelter 3897
431 plouden 3924 @article{Cota77,
432     Author = {E. Cota and W. G. Hoover},
433     Date-Added = {2013-01-25 21:59:33 +0000},
434     Date-Modified = {2013-07-12 19:40:13 +0000},
435     Journal = {J. Chem. Phys.},
436     Number = {8},
437     Pages = {3839},
438     Title = {Computer simulation of hexagonal ice},
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441 gezelter 3897
442 plouden 3924 @article{Gay02,
443     Author = {S. C. Gay and E. J. Smith and A. D. J. Haymet},
444     Date-Added = {2013-01-25 21:57:19 +0000},
445     Date-Modified = {2013-07-12 19:42:48 +0000},
446     Journal = {J. Chem. Phys.},
447     Number = {20},
448     Pages = {8876-8880},
449     Title = {Dynamics of melting and stability of ice 1h: Molecular-dynamics simulations of the SPC/E model of water},
450     Volume = {116},
451     Year = {2002}}
452 gezelter 3897
453 gezelter 3918 @article{Karim90,
454 plouden 3924 Author = {O. A. Karim and A. D. J. Haymet},
455     Date-Added = {2013-01-25 21:55:59 +0000},
456     Date-Modified = {2013-07-12 19:43:44 +0000},
457     Journal = {J. Chem. Phys.},
458     Pages = {4634},
459     Title = {The ice/water interface: A molecular dynamics simulation using the simple point charge model},
460 gezelter 3918 Volume = {92},
461 plouden 3924 Year = {1990}}
462 gezelter 3897
463 plouden 3924 @article{Karim88,
464     Author = {O. A. Karim and A. D. J. Haymet},
465     Date-Added = {2013-01-25 21:53:57 +0000},
466     Date-Modified = {2013-07-12 19:43:37 +0000},
467     Journal = {J. Chem. Phys.},
468     Pages = {6889},
469     Title = {The ice/water interface: A molecular dynamics simulation study},
470     Volume = {11},
471     Year = {1988}}
472 gezelter 3897
473 plouden 3924 @article{Karim87,
474     Author = {O. A. Karim and A. D. J. Haymet},
475     Date-Added = {2013-01-25 21:52:35 +0000},
476     Date-Modified = {2013-07-12 19:43:31 +0000},
477     Journal = {Chem. Phys. Letters},
478     Number = {6},
479     Pages = {531-534},
480     Title = {The Ice/Water Interface},
481     Volume = {138},
482     Year = {1987}}
483 gezelter 3897
484 plouden 3924 @article{Batista01,
485     Author = {E. R. Batista and H. Jonsson},
486     Date-Added = {2013-01-25 21:50:07 +0000},
487     Date-Modified = {2013-07-12 19:41:28 +0000},
488     Journal = {Computational Materials Science},
489     Pages = {325-336},
490     Title = {Diffusion and Island formation of the ice Ih basal plane surface},
491     Volume = {20},
492     Year = {2001}}
493 gezelter 3897
494     @article{Campo10,
495     Author = {M. G. Campo},
496     Date-Added = {2013-01-25 21:48:02 +0000},
497     Date-Modified = {2013-01-25 21:48:44 +0000},
498     Journal = {Papers in Physics},
499     Pages = {020001},
500     Title = {Structural and dynamic properties of SPC/E water},
501     Volume = {2},
502     Year = {2010}}
503 plouden 3924
504     @article{Vega05,
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