Influence of new interaction potential on MD simulation of MgSiO 3 perovskite thermodynamic properties

Chinese Journal of Chemical Physics

Volumn 20, Issue 5, 2007, Pages

  Chen, Qiong ^a   Cheng, Xin Lu ^a   Yang, Xiang Dong ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

Interaction potential; Melting temperature; Molecular dynamics

Indexed keywords

EQUATIONS OF STATE; MAGNESIUM COMPOUNDS; MELTING POINT; MOLECULAR DYNAMICS; PEROVSKITE; POTENTIAL ENERGY; SILICON;

AMBIENT CONDITIONS; CONSTANT PRESSURES; INTERACTION POTENTIALS; MOLECULAR DYNAMICS SIMULATIONS; PAIR POTENTIAL; POTENTIAL ENERGY CURVES; POTENTIAL PARAMETERS; THERMAL EXPANSIVITY;

SILICON COMPOUNDS;

EID: 38549141115     PISSN: 16740068     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-0068/20/05/547-551     Document Type: Article

References (46)

1. A R Oganov, J P Brodholt, and G D Price 2001 Earth Planet. Sci. Lett. 184 555
2. G Fiquet, A Dewaele, D Andrault, and M Kunz 2000 Geophys. Res. Lett. 27 21
3. S H Shim, T S Duffy, and G Y Shen 2001 Science 293 2437
4. S L Chaplot, N Choudhury, and K R Rao 1998 Am. Miner. 83 937
5. A Zerr and R Boehler 1993 Science 262 553
6. D L Heinz and R Jeanloz 1987 J. Geophys. Res. 92 11437
7. E Knittle and R Jeanloz 1989 Geophys. Res. Lett. 16 421
8. J S Sweeney and D L Heinz 1993 Geophys. Res. Lett. 20 855
9. Z J Liu, X L Cheng, X D Yang, H Zhang, and L C Cai 2006 Chin. Phys. 15 1009
10. Z J Liu, X W Sun, X D Yang, X L Cheng, and Y D Guo 2006 Chin. J. Chem. Phys. 19 311
11. D Alfè 2004 J. Phys. Condens. Matter 16 S973
12. A B Belonoshko and L S Dubrovinski 1997 Am. Mineral. 82 441
13. A Aguado and P A Madden 2005 Phys. Rev. Lett. 94 068501
14. M Matsui and G D Price 1991 Nature 351 735
15. Y K Gu, Y H Qi, and Y J Qin 2003 Chin. J. Chem. Phys. 16 385
16. Y H Wei, X L Ma, G Y Zhang, Q Hou, H C Wang, and Y S Sun 2004 Chin. J. Chem. Phys. 17 443
17. Z J Liu, X L Cheng, X R Chen, and F P Zhang 2005 Chin. J. Chem. Phys. 18 193
18. Z J Liu, X L Cheng, and F P Zhang 2006 Chin. J. Chem. Phys. 19 65
19. P P Ewald 1921 Annal. Physik 64 253
20. D Fincham 1994 J. Mol. Graphic 12 29
21. W G Hoover 1985 Phys. Rev. A. 31 1695
22. D. Fincham 1994 J. Mol. Graphic 12 29
23. C R A Catlow 1989 J. Chem. Soc. Faraday Trans. 2 85 335
24. A B Belonoshko 1994 Geochim. Cosmochim. Atca. 58 4039
25. A B Belonoshko and L S Dubrovinski 1996 Am. Mineral. 81 303
26. M Matsui 1996 Phys. Chem. Miner. 23 345
27. M M Kuklju 2000 J. Phys.: Condens. Matter. 12 2953
28. G J Kramer, N P Farragher, and B W H van Beest 1991 Phys. Rev. B 43 5068
29. C R A Catlow 1985 J. Phys. C: Solid State Phys. 18 1149
30. R Pandey, J D Gale, S K Sampth, and J M Recio 1995 J. Am. Ceram. Soc. 82 125
31. T S Bush, J D Gale, C R A Catlow, and P D Battle 1994 J. Mater. Chem. 4 83
32. A B Belonoshko and L S Dubrovinsky 1996 Geochim. Cosmochim. Acta. 60 1645
33. H K Mao, R J Hemley, Y Fei, J F Shu, L C Chen, A P Jephcoat, and Y Wu 1991 J. Geophys. Res. 96 8069
34. J Shanker and S S Kushwah 1998 Phys. B 254 45
35. M Akaogi and E Ito 1993 Geophys. Res. Lett. 20 105
36. H K Mao, J Xu, and P M Bell 1986 J. Geophys. Res. 91 4673
37. O L Anderson and K Masuda 1994 Phys. Earth Planet. Inter. 85 227
38. R E Cohen and Z Gong 1994 Phys. Rev. B 50 12301
39. K Lu and Y Li 1998 Phys. Rev. Lett. 80 4474
40. S N Luo and T J Ahrens 1985 Phys. Rev. A 31 1695
41. S N Luo and T J Ahrens 2005 Appl. Phys. Rev. Lett. 94 068501
42. H J Fecht and W L Johnson 1983 Nature 334 50
43. J L Tallon 1989 Nature 342 658
44. B Rethfeld, K Sokolowski-Tinten, D von der linde, and S I Anisimow 2002 Phys. Rev. B 65 092103
45. E Ito and T Katsura, High Pressure Research in Mineral Physics-Applications to Earth and Planetary Science 1992 Tokyo: Terra Scientific Press 315
46. T Kato and M Kumazawa 1985 Nature 316 803