Molecular dynamics simulation of zirconia melting

Central European Journal of Physics

Volumn 8, Issue 5, 2010, Pages 789-797

  Davis, Sergio ^a   Belonoshko, Anatoly B ^b   Rosengren, Anders ^b   van Duin, Adri C T ^c   Johansson, Börje ^a,d  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b ALBANOVA UNIVERSITY CENTER   (Sweden)

^c The Pennsylvania State University   (United States)

^d UPPSALA UNIVERSITY   (Sweden)

Author keywords

Melting; Molecular dynamics; Soft oxide fuel cells; Zirconia

Indexed keywords

EID: 77955050839     PISSN: 18951082     EISSN: 16443608     Source Type: Journal    
DOI: 10.2478/s11534-009-0152-3     Document Type: Article

References (22)

1. C. A. J. Fisher, H. Matsubara, Comp. Mater. Sci. 14, 177 (1999).
2. M. Kilo, R. A. Jackson, G. Borchardt, Phil. Mag. Lett. 83, 3309 (2003).
3. F. Shimojo, T. Okabe, F. Tachibana, M. Kobayashi, H. Okazaki, J. Phys. Soc. Jpn. 61, 2848 (1992).
4. F. Shimojo, H. Okazaki, J. Phys. Soc. Jpn. 61, 4106 (1992).
5. H. W. Brinkman, W. J. Briels, H. Verweij, Chem. Phys. Lett. 247, 386 (1995).
6. Y. W. Tang, Q. Zhang, K. Y. Chan, Chem. Phys. Lett. 385, 202 (2004).
7. R. Krishnamurty, Y. G. Yoon, D. J. Srolovitz, R. Car, J. Am. Ceram. Soc. 87, 1821 (2004).
8. M. Kilo, Diffus. De. A 242-244, 185 (2005).
9. G. V. Lewis, C. R. A. Catlow, J. Phys. C Solid State 18, 1149 (1985).
10. A. C. T. van Duin, S. Dasgupta, F. Lorant, W. A. Goddard, J. Phys. Chem. A 105, 9396 (2001).
11. A. C. T. van Duin, B. V. Merinov, S. S. Jang, W. A. Goddard, J. Phys. Chem. A 112, 3133 (2008).
12. A. B. Belonoshko, N. V. Skorodumova, A. Rosengren, B. Johansson, Phys. Rev. B 73, 012201 (2006).
13. A. B. Belonoshko et al., Phys. Rev. B 76, 064121 (2007).
14. A. B. Belonoshko, Geochim. Cosmochim. Ac. 58, 4039 (1994).
15. A. B. Belonoshko, Geochim. Cosmochim. Ac. 58, 1557 (1994).
16. A. B. Belonoshko, A. Rosengren, L. Burakovsky, D. L. Preston, B. Johansson, Phys. Rev. B 79, 220102 (2009).
17. N. Ishizawa, Y. Matsushima, M. Hayashi, M. Ueki, Acta Crystallogr. B 55, 726 (1999).
18. K. Refson, Comput. Phys. Commun. 126, 310 (2000).
19. N. S. Fateeva, L. F. Vereshchagin, JETP Lett.+ 14, 153 (1971).
20. J. M. Shaner, G. R. Gathers, C. Minichino, High Temp.-High Press. 9, 331 (1977).
21. A. B. Belonoshko et al., Phys. Rev. Lett. 92, 195701 (2004).
22. A. B. Belonoshko et al., Phys. Rev. Lett. 100, 135701 (2008).