Interatomic potentials of silica glass for molecular dynamics simulation at high temperature

Wuli Huaxue Xuebao/ Acta Physico - Chimica Sinica

Volumn 24, Issue 5, 2008, Pages 788-792

  Ding D , Yuan Fa ^a   Zhang, Yue ^a   Zhang, Fan Wei ^a   Zhang, Da Hai ^b   Li, Zhong Ping ^b  

^a BEIHANG UNIVERSITY   (China)

^b AEROSPACE RESEARCH INSTITUTE OF MATERIALS AND PROCESSING TECHNOLOGY   (China)

Author keywords

Charge transfer; High temperature; Molecular dynamics; Multi body potential; Silica glass

Indexed keywords

EID: 70349223799     PISSN: 10006818     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (22)

1. Jund, P.; Jullien, R. Philosophical Magazine A, 1999, 79: 223
2. Wang, C.; Kuzuu, N.; Tamai, Y. Journal of Non-Crystalline Solids, 2003, 318: 131
3. Kuzuu, N.; Yoshie, H.; Tamai, Y.; Wang, C. Journal of Non-Crystalline Solids, 2004, 349: 319
4. Takada, A.; Richet, P.; Catlow, C. R.; Price, G. D. Journal of Non-Crystalline Solids, 2004, 345-346: 224
5. Munetoh, S.; Motooka, T.; Moriguchi, K.; Akira, S. Computational Materials Science, 2007, 39: 334
6. Sharma, R.; Mudi, A.; Chakravarty, C. J. Chem. Phys., 2006, 125: 044705
7. Yu, X.; Leitner, D. M. Phys. Rev. B, 2006, 74: 184305
8. Muralidharan, K.; Simmons, J. H.; Deymier, P. A.; Runge, K. Journal of Non-Crystalline Solids, 2005, 351: 1532
9. Feuston, B. P.; Garofalini, S. H. J. Chem. Phys., 1988, 89: 5818
10. Demiralp, E.; Cagin, T.; Goddard III, W. A. Phys. Rev. Lett., 1999, 82: 1708
11. Huang, L. P.; Kieffer, J. J. Chem. Phys., 2003, 118: 1487
12. Kimizuka, H.; Kaburaki, H. Phys. Rev. B, 2003, 67: 024105
13. Woodcock, L. V.; Angell, C. A.; Cheeseman, P. J. Chem. Phys., 1976, 65: 1565
14. Tsuneyuki, S.; Tsukada, M.; Aoki, H.; Matsui, Y. Phys. Rev. Lett., 1988, 61: 869
15. van Beest, B. W. H.; Kramer, G. J.; van Santen, R. A. Phys. Rev. Lett., 1990, 64: 1955
16. Flikkema, E.; Bromley, S. T. Chem. Phys. Lett., 2003, 378: 622
17. Vashishta, P.; Kalia, R. K.; Rino, J. P.; Ebbsj, I. Phys. Rev. B, 1990, 41: 12197
18. Vessal, B.; Amini, M.; Catlow, C. R. Journal of Non-Crystalline Solids, 1993, 159: 184
19. Ding, Y. F.; Zhang, Y.; Zhang, F. W.; Zhang, D. H.; Li, Z. P. Material Science Forum, 2007, 546-549: 2189
20. Rappe, A. K.; Goddard III, W. A. J. Phys. Chem., 1991, 95: 3358
21. Belashchenko, D. K.; Ostrovski, O. I. Thermochim. Acta, 2001, 372: 143
22. Smith, W.; Forester, T. R. Journal of Molecular Graphics, 1996, 14: 136