Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces

Journal of Chemical Physics

Volumn 117, Issue 22, 2002, Pages 10258-10268

  Bryk, Taras ^a,b   Haymet, A D J ^a  

^a University of Houston   (United States)

^b INSTITUTE FOR CONDENSED MATTER PHYSICS   (Ukraine)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; COMPUTER SIMULATION; CRYSTAL GROWTH; CRYSTAL LATTICES; DENSITY OF LIQUIDS; INTERFACES (MATERIALS); MATHEMATICAL MODELS; PRISMS; SUPERCOOLING; THERMAL EFFECTS; WATER;

BASAL; CHARGE DENSITY;

MOLECULAR DYNAMICS;

EID: 0037045180     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1519538     Document Type: Article

References (34)

1. J. M. Howe, Interfaces in Materials (Wiley, New York, 1997).
2. B. B. Laird and A. D. J. Haymet, Chem. Rev. 92, 1819 (1992).
3. D. Beaglehole and P. Wilson, J. Phys. Chem. 97, 11053 (1993).
4. J. A. Hayward and A. D. J. Haymet, J. Chem. Phys. 114, 3713 (2001).
5. O. A. Karim and A. D. J. Haymet, Chem. Phys. Lett. 138, 531 (1987).
6. M. J. Vlot, J. Huinik, and J. P. van der Eerden, J. Chem. Phys. 110, 55 (1999).
7. O. A. Karim, P. A. Kay, and A. D. J. Haymet, J. Chem. Phys. 92, 4634 (1990).
8. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 (1987).
9. O. A. Karim and A. D. J. Haymet, J. Chem. Phys. 89, 6889 (1988).
10. A. D. J. Haymet and O. A. Karim, in Atmospheric Aerosols and Nucleation, edited by P. Wagner and G. Vali (Springer, Berlin, 1988), pp. 508-511.
11. W. L. Jorgensen and J. D. Madura, Mol. Phys. 56, 1381 (1985).
12. W. L. Jorgensen et al., J. Chem. Phys. 79, 926 (1983).
13. H. Nada and Y. Furukawa, Jpn. J. Appl. Phys. 34, 583 (1995).
14. I. M. Svishchev and P. G. Kusalik, Phys. Rev. Lett. 73, 975 (1994).
15. L. Báez and P. Clancy, J. Chem. Phys. 103, 9744 (1995).
16. V. F. Petrenko, J. Phys. Chem. 101, 6276 (1997).
17. S. W. Rick, J. Chem. Phys. 114, 2276 (2001).
18. S. C. Gay, E. J. Smith, and A. D. J. Haymet, J. Chem. Phys. 116, 8876 (2002).
19. S. W. Rick and A. Haymet (unpublished).
20. J. A. Hayward and A. D. J. Haymet, Phys. Chem. Chem. Phys. 4, 3712 (2002).
21. D.-M. Duh, D. N. Perera, and A. D. J. Haymet, J. Chem. Phys. 102, 3736 (1995).
22. A. L. DeVries, Annu. Rev. Physiol. 45, 245 (1993).
23. A. D. J. Haymet, L. Ward, M. Harding, and C. Knight, FEBS Lett. 430, 301 (1998).
24. K. Fairley, B. Westman, L. H. Pham, and A. D. J. Haymet, J. Biol. Chem. 277, 24073 (2002).
25. Y. Zhang, S. E. Feller, B. R. Brooks, and R. W. Pastor, J. Chem. Phys. 103, 10252 (1995).
26. M. Parrinello and A. Rahman, Phys. Rev. Lett. 45, 1196 (1980).
27. G. J. Martyna, D. J. Tobias, and M. L. Klein, J. Chem. Phys. 101, 4177 (1994).
28. T. Bryk and A. D. J. Haymet (unpublished).
29. D. E. Smith and A. D. J. Haymet, J. Chem. Phys. 98, 6445 (1993).
30. W. Smith and T. Forester, J. Mol. Graphics 14, 136 (1996).
31. B. B. Laird and A. D. J. Haymet, J. Chem. Phys. 91, 3638 (1989).
32. A. D. J. Haymet, Chem. Phys. Lett. 107, 77 (1984).
33. J. Alejandre, D. J. Tildesley, and G. A. Chapela, J. Chem. Phys. 102, 4574 (1995).
34. A. V. Egorov, E. N. Brodskaya, and A. Laaksonen, Mol. Phys. 100, 941 (2002).