Breathing shell model in molecular dynamics simulation: Application to MgO and CaO

Journal of Chemical Physics

Volumn 108, Issue 8, 1998, Pages 3304-3309

  Matsui, Masanori ^a  

^a KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000279923     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.475727     Document Type: Article

References (42)

1. S. Tsuneyuki, Y. Matsui, H. Aoki, and M. Tsukada, Nature (London) 339, 209 (1989).
2. B. W. H. van Beest, G. J. Kramer, and R. A. van Santen, Phys. Rev. Lett. 64, 1955 (1990).
3. M. Matsui and G. D. Price, Nature (London) 351, 735 (1991).
4. M. Matsui, Geophys. Res. Lett. 23, 395 (1996).
5. C. R. A. Catlow, I. D. Faux, and M. J. Norgett, J. Phys. C 9, 419 (1976).
6. R. E. Cohen, L. L. Boyer, and M. J. Mehl. Phys. Rev. B 35, 5749 (1987).
7. G. H. Wolf and M. S. T. Bukowinski, Phys. Chem. Miner. 15, 209 (1988).
8. M. Wilson, P. A. Madden, M. Hemmati, and C. A. Angell, Phys. Rev. Lett. 77, 4023 (1996).
9. M. Wilson, P. A. Madden, N. C. Pyper, and J. H. Harding, J. Chem. Phys. 104, 8068 (1996).
10. P. J. D. Lindan and M. J. Gillan, J. Phys.: Condens. Matter 5, 1019 (1993).
11. M. Born and H. Kun, Dynamical Theory of Crystal Lattices (Oxford University Press, Oxford, 1969).
12. D. G. Isaak, O. L. Anderson, and T. Goto, Phys. Chem. Miner. 16, 704 (1989).
13. H. Oda, O. L. Anderson, D. G. Isaak, and I. Suzuki, Phys. Chem. Miner. 19, 96 (1992).
14. M. J. L. Sangster, J. Phys. Chem. Solids 34, 355 (1973).
15. U. Schröder, Solid State Commun. 4, 347 (1966).
16. P. Richet, H.-K. Mao, and P. M. Bell, J. Geophys. Res. 93, 15279 (1988).
17. A. Ghosh, A. K. Sarkar, and A. N. Basu, J. Phys. C 8, 1332 (1975).
18. B. G. Dick, Jr. and A. W. Overhauser, Phys. Rev. 112, 90 (1958).
19. G. Jacucci, I. R. McDonald, and K. Singer, Phys. Lett. 50A, 141 (1974).
20. M. Matsui, G. D. Price, and A. Patel, Geophys. Res. Lett. 21, 1659 (1994).
21. M. Matsui, Phys. Chem. Miner. 23, 345 (1996).
22. M.-L. Saboungi, A. Rahman, J. W. Halley, and M. Blander, J. Chem. Phys. 88, 5818 (1988).
23. M. Sprik and M. L. Klein, J. Chem. Phys. 89, 7556 (1988).
24. P. J. Mitchell and D. Fincham, J. Phys.: Condens. Matter 5, 1031 (1993).
25. M. Wilson and P. A. Madden, J. Phys.: Condens. Matter 5, 2687 (1993).
26. R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985).
27. S. Nosé, J. Chem. Phys. 81, 511 (1984).
28. M. Parrinello and A. Rahman, J. Appl. Phys. 52, 7182 (1981).
29. W. R. Busing, WMIN, A Computer Program to Model Molecules and Crystals in Terms of Potential Energy Functions (Report ORNL-5747. Oak Ridge Natl. Lab, TN, 1981).
30. D. C. Wallace, Thermodynamics of Crystals (Wiley, New York, 1972).
31. M. Matsui, J. Chem. Phys. 91, 489 (1989).
32. R. Jeanloz, T. J. Ahrens, H. K. Mao, and P. M. Bell, Science 206, 829 (1979).
33. L.-G. Liu and W. A. Bassett, Elements, Oxides, and Silicates: High-Pressure Phases with Implications for the Earth's Interior (Oxford University Press, New York, 1986).
34. H. K. Mao and P. M. Bell, J. Geophys. Res. 84, 4533 (1979).
35. J. C. Jamieson, J. N. Fritz, and M. H. Manghnani, in High-Pressure Research in Geophysics, edited by S. Akimoto and M. H. Manghnani (Center for Academic Publications, Tokyo, 1982), pp. 27-48.
36. S. L. Wunder and P. E. Schoen, J. Appl. Phys. 52, 3772 (1981).
37. D. L. Heinz and R. Jeanloz, J. Appl. Phys. 55, 885 (1984).
38. X. Li and R. Jeanloz, Phys. Rev. B 36, 474 (1987).
39. J. Akella and G. C. Kennedy, J. Geophys. Res. 76, 4969 (1971).
40. T. Uchida, T. Yagi, K. Oguri, and N. Funamori, Abstract, First International Pressure Calibration Workshop, Misasa, Japan, 18 (1997).
41. O. L. Anderson, D. G. Isaak, and S. Yamamoto, J. Appl. Phys. 65, 1534 (1989).
42. D. L. Decker, J. Appl. Phys. 42, 3239 (1971).