Computer simulations of liquid silica: Equation of state and liquid-liquid phase transition

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 63, Issue 1 II, 2001, Pages 1-9

  Saika Voivod, Ivan ^a   Sciortino, Francesco ^b   Poole, Peter H ^a  

^a UNIVERSITY OF WESTERN ONTARIO   (Canada)

^b UNIVERSITÀ DI ROMA LA SAPIENZA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 18644372361     PISSN: 15393755     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevE.63.011202     Document Type: Article

References (66)

1. M. O. Thompson, G. J. Galvin, J. W. Mayer, P. S. Peercy, J. M. Poate, D. C. Jacobson, A. G. Cullis, and N. G. Chew, Phys. Rev. Lett. 52, 2360 (1984).
2. E. P. Donovan, F. Saepen, D. Turnbull, J. M. Poate, and D. C. Jacobson, J. Appl. Phys. 57, 1795 (1985).
3. V. V. Brazhkin, R. N. Voloshin, S. V. Popova, and A. G. Umnov, Phys. Lett. A 154, 413 (1991).
4. V. V. Brazhkin, S. V. Popova, R. N. Voloshin, and A. G. Umnov, High Press. Res. 6, 363 (1992).
5. S. Aasland and P. F. McMillan, Nature (London) 369, 633 (1994).
6. M. Togaya, Phys. Rev. Lett. 79, 2474 (1997).
7. O. Mishima and H. E. Stanley, Nature (London) 396, 329 (1998).
8. O. Mishima, Phys. Rev. Lett. 85, 334 (2000).
9. Y. Katayama, T. Mizutani, W. Utsumi, O. Shimomura, M. Yamakata, and K.-I. Funakoshi, Nature (London) 403, 170 (2000).
10. W. D. Ludke and U. Landman, Phys. Rev. B 37, 4656 (1988).
11. C. A. Angell, S. Borick, and M. Grabow, J. Non-Cryst. Solids 205-207, 463 (1996).
12. P. H. Poole, F. Sciortino, U. Essmann, and H. E. Stanley, Nature (London) 360, 324 (1992).
13. S. Harrington, R. Zhang, P. H. Poole, F. Sciortino and H. E. Stanley, Phys. Rev. Lett. 78, 2409 (1997).
14. J. N. Glosli and F. H. Ree, Phys. Rev. Lett. 82, 4659 (1999).
15. P. C. Hemmer and G. Stell, Phys. Rev. Lett. 24, 1284 (1970).
16. A. C. Mitus, A. Z. Patashinskii, and B. I. Shumilo, Phys. Lett. 113A, 41 (1985).
17. E. G. Ponyatovsky and I. O. Barkalov, Mater. Sci. Rep. 8, 147 (1992).
18. S. Sastry, F. Sciortino, and H. E. Stanley, J. Chem. Phys. 98, 9863 (1993).
19. P. H. Poole, F. Sciortino, T. Grande, H. E. Stanley, and C. A. Angell, Phys. Rev. Lett. 73, 1632 (1994).
20. C. J. Roberts, A. Z. Panagiotopoulos, and Pablo G. Debenedetti, Phys. Rev. Lett. 77, 4386 (1996).
21. C. F. Tejero and Marc Baus, Phys. Rev. E 57, 4821 (1998).
22. E. A. Jagla, J. Chem. Phys. 111, 8980 (1999).
23. G. Franzese et al., e-print cond-mat/0005184.
24. J. A. Jagla, e-print cond-mat/0006381.
25. G. H. Wolf, S. Wang, C. A. Herbst, D. J. Durben, W. J. Oliver, Z. C. Kang, and C. Halvorsen, in High-Pressure Research: Application to Earth and Planetary Sciences, edited by Y. S. Manghnani and M. H. Manghnani (American Geophysical Union, Washington, DC, 1992), p. 503.
26. P. H. Poole, T. Grande, C. A. Angell, and P. F. McMillan, Science 275, 322 (1997).
27. O. Mishinia, L. D. Calvert, and E. Whalley, Nature (London) 314, 76 (1985).
28. O. Mishinia, K. Takemura, and K. Aoki, Science 254, 406 (1991).
29. O. Mishinia, J. Chem. Phys. 100, 5910 (1994).
30. F. H. Stillinger and A. Rahman, J. Chem. Phys. 60, 1545 (1974).
31. P. H. Poole, U. Essmann, F. Sciortino, and H. E. Stanley, Phys. Rev. E 48, 4605 (1993).
32. F. Sciortino, P. H. Poole, U. Essmann, and H. E. Stanley, Phys. Rev. E 55, 727 (1997).
33. W. L. Jorgensen, J. Chandrasekhar, J. Madura, R. W. Impey, and M. Klein, J. Chem. Phys. 79, 926 (1983).
34. H. J. C. Berendsen, J. P. M. Postma, W. F. Van Gunsteren, A. Dinola, and J. R. Haak, J. Chem. Phys. 81, 3684 (1984).
35. S. Harrington, P. H. Poole, F. Sciortino, and H. E. Stanley, J. Chem. Phys. 107, 7443 (1997).
36. P. G. Debenedetti, Metastable Liquids: Concepts and Principles (Princeton University Press, Princeton, NJ, 1998).
37. H. Sugiura, K.-I. Kondo, and A. Sawaoka, in High-Pressure Research in Geophysics, edited by S. Akimoto and M. H. Manghnani (Reidel, Dordrecht, 1982), p. 551.
38. M. Grimsditch, Phys. Rev. Lett. 52, 2379 (1984).
39. R. J. Hemley, H. K. Mao, P. M. Bell, and B. O. Mysen, Phys. Rev. Lett. 57, 747 (1986).
40. M. S. Somayazulu et al., J. Phys.: Condens. Matter 5, 6345 (1993).
41. J. S. Tse, D. D. Klug, and Y. LePage, Phys. Rev. B 46, 5933 (1992).
42. W. Jin, R. K. Kalia, P. Vashishta, and J. P. Rino, Phys. Rev. Lett. 71, 3146 (1993).
43. P. H. Poole, M. Hemmati, and C. A. Angell, Phys. Rev. Lett. 79, 2281 (1997).
44. D. L. Jacks, Phys. Rev. Lett. 84, 4629 (2000).
45. L. V. Woodcock, C. A. Angell, and P. A. Cheeseman, J. Chem. Phys. 65, 1565 (1976).
46. Y. Rosenfeld and P. Tarazona, Mol. Phys. 95, 141 (1998).
47. F. Sciortino, W. Kob, and P. Tartaglia, Phys. Rev. Lett. 83, 3214 (1999).
48. B. Coluzzi, Ph.D thesis, University of Roma La Sapienza, 1999; B. Coluzzi, P. Verrocchio, and G. Parisi, Phys. Rev. Lett. 84, 306 (2000).
49. B. Coluzzi, Ph.D thesis, University of Roma La Sapienza, 1999; B. Coluzzi, P. Verrocchio, and G. Parisi, Phys. Rev. Lett. 84, 306 (2000).
50. S. Sastry, Phys. Rev. Lett. 85, 590 (2000).
51. B. W. H. van Beest, G. J. Kramer, and R. A. van Santen, Phys. Rev. Lett. 64, 1955 (1990).
52. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, Oxford, 1989).
53. ab are chosen so that the original BKS potential is modified as little as possible at larger r, subject to the constraint that the new potential has no inflection at small r.
54. H. B. Callen, Thermodynamics and an Introduction to Thermostatistics, 2nd ed. (Wiley, New York, 1985).
55. The curve fitting, differentiations, and integrations required to build the functional model of the thermodynamic properties are carried out using the symbolic computation system Maple, version V.5, Waterloo Maple, Inc., Waterloo, Canada.
56. max line because it's location would be simpler to identify in isothermal compression experiments.
57. Th. M. Nieuwenhuizen, Phys. Rev. Lett. 80, 5580 (1998); 79, 1317 (1997).
58. Th. M. Nieuwenhuizen, Phys. Rev. Lett. 80, 5580 (1998); 79, 1317 (1997).
59. F. Sciortino and P. Tartaglia, Phys. Rev. Lett. (to be published) (e-print cond-mat/0007208).
60. J. Horbach and W. Kob, Phys. Rev. B 60, 3169 (1999).
61. C. A. Angell and H. Kanno, Science 193, 1121 (1976); C. A. Angell, P. A. Cheeseman, and S. Tamaddam, ibid. 218, 885 (1982).
62. C. A. Angell and H. Kanno, Science 193, 1121 (1976); C. A. Angell, P. A. Cheeseman, and S. Tamaddam, ibid. 218, 885 (1982).
63. R. Bruckner, J. Non-Cryst. Solids 5, 123 (1970).
64. R. A. Fine and F. J. Millero, J. Chem. Phys. 59, 5529 (1973).
65. G. P. Johari, A. Hallbrucher, and E. Mayer, Nature (London) 330, 552 (1987).
66. A. Scala, F. W. Starr, E. La Nave, H. E. Stanley, and F. Sciortino, Phys. Rev. E 62, 8016 (2000).