Properties of MgO at high pressures: Shell-model molecular dynamics simulation

Physica B: Condensed Matter

Volumn 370, Issue 1-4, 2005, Pages 186-194

  Sun, Xiaowei ^a   Chen, Qifeng ^b,c   Chu, Yandong ^a   Wang, Chengwei ^d  

^a LANZHOU JIAOTONG UNIVERSITY   (China)

^b INSTITUTE OF FLUID PHYSICS   (China)

^c INSTITUTE OF APPLIED PHYSICS AND COMPUTATIONAL MATHEMATICS   (China)

^d NORTHWEST NORMAL UNIVERSITY   (China)

Author keywords

Melting; MgO; Molecular dynamics simulation; Radial distribution function; Thermal instability

Indexed keywords

COMPUTER SIMULATION; CRYSTALLINE MATERIALS; HEATING; HIGH PRESSURE EFFECTS; HIGH TEMPERATURE EFFECTS; MELTING; MOLECULAR DYNAMICS; THERMODYNAMIC STABILITY; THERMODYNAMICS;

INTERATOMIC POTENTIAL; MOLECULAR DYNAMICS SIMULATION; RADIAL DISTRIBUTION FUNCTIONS; THERMAL INSTABILITY;

MAGNESIA;

EID: 28244469550     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2005.09.011     Document Type: Article

References (51)

1. R.W. Cahn Nature 413 2001 582
2. R. Boehler Nature 363 1993 534
3. R. Boehler, M. Ross, and D.B. Boercher Phys. Rev. Lett. 78 1997 4589
4. R. Boehler, M. Ross, and D.B. Boercher Phys. Rev. Lett. 53 1996 556
5. X.W. Sun, Q.F. Chen, C.W. Wang, Y. Li, and J. Wang Physica B 355 2005 126
6. J. Wang, J. Li, S. Yip, S. Phillpot, and D. Wolf Phys. Rev. B 52 1995 12627
7. F. Ercolessi, A molecular dynamics primer, http://www.sissa.it/furio/, 1997.
8. Z.H. Jin, P. Gumbsch, K. Lu, and E. Ma Phys. Rev. Lett. 87 2001 055703
9. T.S. Duffy, R.J. Hemley, and H.-K. Mao Phys. Rev. Lett. 74 1995 1371
10. V.S. Solomatov, and D.J. Stevenson J. Geophys. Res. 98 1993 5391
11. B.G. Dick, and A.W. Overhauser Phys. Rev. 112 1958 90
12. M. Matsui J. Chem. Phys. 91 1989 489
13. P.J. Mitchell, and D. Fincham J. Phys.: Condens. Matter 5 1993 1031
14. D. Fincham, W.C. Mackrodt, and P.J. Mitchell J. Phys.: Condens. Matter 6 1994 393
15. M. Matsui J. Chem. Phys. 108 1998 3304
16. D. Fincham Mol. Simul. 8 1992 165
17. S. Tsuneyuki, Y. Matsui, H. Aoki, and M. Tsukada Nature (London) 339 1989 209
18. B.W.H. van Beest, G.J. Kramer, and R.A. van Santen Phys. Rev. Lett. 64 1990 1955
19. M. Matsui, and G.D. Price Nature 351 1991 735
20. C.R.A. Catlow, I.D. Faux, and M.J. Norgett J. Phys. C 9 1976 419
21. R.E. Cohen, L.L. Boyer, and M.J. Mehl Phys. Rev. B 35 1987 5749
22. G.H. Wolf, and M.S.T. Bukowinski Phys. Chem. Miner. 15 1988 209
23. M. Wilson, P.A. Madden, M. Hemmati, and C.A. Angell Phys. Rev. Lett. 77 1996 4023
24. M. Wilson, P.A. Madden, N.C. Pyper, and J.H. Harding J. Chem. Phys. 104 1996 8068
25. P.J.D. Lindan, and M.J. Gillan J. Phys.: Condens. Matter 5 1993 1019
26. G.J. Kramer, N.P. Farragher, and B.W.H. van Beest Phys. Rev. B 43 1991 5068
27. A.B. Belonoshko Geochim. Cosmochim. Acta 58 1994 4039
28. A.B. Belonoshko, and L.S. Dubrovinsky Am. Miner. 81 1996 303
29. M. Matsui Phys. Chem. Miner. 23 1996 345
30. M.M. Kuklja J. Phys.: Condens. Matter 12 2000 2953
31. S.C. Parker, and G.D. Price Adv. Solid State Chem. 1 1989 295
32. D.J. Isaak, R.E. Cohen, and M.J. Mehl J. Geophys. Res. 95 1990 7055
33. E. Knittle Static compression measurements of equations of state T.J. Ahrens Mineral Physics and Crystallography, A Handbook of Physical Constants. AGU Reference Shelf 2 1997
34. G.V. Lewis, and C.R.A. Catlow J. Phys. C 18 1985 1149
35. Y. Fei Mineral 84 1999 272
36. R.K. Pandey J. Phys. Chem. Solids 59 1998 993
37. B. Riley Rev. Int. Hautes Temp. Refract. 3 1966 327
38. B. Kapusta, and M. Guillope Phys. Earth Planet. Int. 75 1993 205
39. K. Lu, and Y. Li Phys. Rev. Lett. 80 1998 4474
40. S.N. Luo, and T.J. Ahrens Phys. Rev. B 68 2003 134206
41. A. Zerr, and R. Boehler Nature 371 1994 506
42. H. Lowen Phys. Rep. 237 1994 249
43. D. Alfè Phys. Rev. Lett. 94 2005 235701
44. A. Zerr, and R. Boehler Science 262 1993 553
45. Z.W. Wang, P. Lazor, and S.K. Saxena High Temp. High Pressures 33 2001 357
46. Z.W. Wang, P. Lazor, and S.K. Saxena Mater. Lett. 49 2001 287
47. Z.W. Wang Phys. Earth Planet. Int. 115 1999 219
48. O.L. Anderson J. Geophys. Res. 84 1979 3537
49. O.L. Anderson, and D.G. Isaak Phys. Earth Planet. Int. 131 2002 19
50. F.D. Stacey, and D.G. Isaak J. Geophys. Res. 108 2003 2440
51. S.L. Chaplot, N. Choudhury, and K.R. Rao Am. Miner. 83 1998 937