The pressure induced phase transition of confined water from ab initio molecular dynamics simulation

Journal of Physics Condensed Matter

Volumn 16, Issue 49, 2004, Pages 8851-8859

  Meng, Sheng ^a,b   Wang, E G ^b   Gao, Shiwu ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^b INSTITUTE OF PHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ELECTRONIC STRUCTURE; HYDROGEN BONDS; ICE; KINETIC ENERGY; MATHEMATICAL MODELS; MELTING; MOLECULAR DYNAMICS; PRESSURE EFFECTS; WATER;

CONFINED WATER; ELECTRONIC REDISTRIBUTION; MOLECULAR DYNAMICS SIMULATION; NONADIABATIC COMPRESSION;

PHASE TRANSITIONS;

EID: 10844290892     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/16/49/004     Document Type: Article

References (39)

1. Teixeira J, Zanotti J M, Bellissent-Funel M C and Chen S H 1997 Physica B 234 370
2. Bellissent-Funel M C 2001 J. Phys.: Condens. Matter 13 9165
3. Levinger N E 2002 Science 298 1722
4. Bruni F, Ricci M A and Soper A K 1998 J. Chem. Phys. 109 1478
5. Kasemo B 1998 Curr. Opin. Solid State Mater. Sci. 3 451
6. Yang L and Huang H W 2002 Science 297 1877 Gruner M S 2002 Science 297 1817
7. Yang L and Huang H W 2002 Science 297 1877 Gruner M S 2002 Science 297 1817
8. Du Q, Freysz E and Shen Y R 1994 Science 264 826
9. Su X C, Lianos L, Shen Y R and Somorjai G A 1998 Phys. Rev. Lett. 80 1533
10. Raviv U, Laurat P and Klein J 2001 Nature 413 51
11. Antognozzi M, Humphris A D L and Miles M J 2001 Appl. Phys. Lett. 78 300
12. Bergman R and Swenson J 2000 Nature 403 283
13. Koga K, Tanaka H and Zeng X C Nature 408 564
14. Zangi R and Mark A E 2003 Phys. Rev. Lett. 91 025502
15. Xia X and Berkowitz M L 1995 Phys. Rev. Lett. 74 3193
16. Gallo P, Rovere M and Spohr E 2000 J. Chem. Phys. 113 11324
17. Foster K, Raghavan K and Berkowitz M 1989 Chem. Phys. Lett. 162 32
18. Price D L and Halley J W 1995 J. Chem. Phys. 102 6603
19. Laasonen K, Parrinello M, Car R, Lee C and Vanderbilt D 1993 Chem. Phys. Lett. 207 208
20. Lee C Y, Vanderbilt D, Laasonen K, Car R and Parrinello M 1993 Phys. Rev. B 47 4863
21. Laasonen K, Sprik M, Parrinello M and Car R 1993 J. Chem. Phys. 99 9080
22. Pfrommer B G, Mauri F and Louie S G 2000 J. Am. Chem. Soc. 122 123
23. Izvekov S and Voth G A 2001 J. Chem. Phys. 115 7196
24. Gayathri N, Izvekov S and Voth G A 2002 J. Chem. Phys. 117 872
25. Kresse G and Hafner J 1993 Phys. Rev. B 47 558 Kresse G and Hafner J 1994 Phys. Rev. B 49 14251
26. Kresse G and Hafner J 1993 Phys. Rev. B 47 558 Kresse G and Hafner J 1994 Phys. Rev. B 49 14251
27. Kresse G and Furthmüller J 1996 Comput. Mater. Sci. 6 15 Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169
28. Kresse G and Furthmüller J 1996 Comput. Mater. Sci. 6 15 Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169
29. Methfessel M and Paxton A T 1989 Phys. Rev. B 40 3616
30. Vanderbilt D 1990 Phys. Rev. B 41 7892
31. Perdew J P, Chevary J A, Vosko S H, Jackson K A, Pederson M R, Singh D J and Foilhais C 1992 Phys. Rev. B 46 6671
32. Meng S, Xu L F, Wang E G and Gao S W 2002 Phys. Rev. Lett. 89 176104
33. Hamann D R 1997 Phys. Rev. B 55 R10157
34. Brill V R and Tippe A 1967 Acta Crystallogr. 23 343
35. Soper A K, Bruni F and Ricci M A 1998 J. Chem. Phys. 109 1486
36. Soper A K 1994 J. Chem. Phys. 101 6888
37. Gallo P, Ricci M A and Rovere M 2002 J. Chem. Phys. 116 342
38. Weber T A and Stillinger F H 1984 J. Chem. Phys. 80 438
39. Reedijk M F, Arsic J, Hollander F F A, de Vries S A and Vlieg E 2003 Phys. Rev. Lett. 90 066103