Molecular dynamics simulation of premelting and melting phase transitions in stoichiometric uranium dioxide

Journal of Chemical Physics

Volumn 127, Issue 9, 2007, Pages

  Yakub, Eugene ^a   Ronchi, Claudio ^b   Staicu, Dragos ^b  

^a Odessa State Economic University   (Ukraine)

^b JOINT RESEARCH CENTRE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; COULOMB INTERACTIONS; MELTING; MOLECULAR DYNAMICS; MOLECULAR MODELING; STOICHIOMETRY; THERMAL DIFFUSION;

ARRHENIUS BEHAVIOR; COULOMB FORCES; MOLECULAR DYNAMICS SIMULATION; PREMELTING;

URANIUM DIOXIDE;

EID: 34548489840     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2764484     Document Type: Article

References (47)

1. M. A. Bredig, Colloq. Int. C. N. R. S. 205, 183 (1971).
2. M. T. Hutchings, J. Chem. Soc., Faraday Trans. 2 83, 1083 (1987).
3. A. S. Dworkin and M. A. Bredig, J. Phys. Chem. 63, 413 (1967).
4. A. S. Dworkin and M. A. Bredig, J. Phys. Chem. 72, 1277 (1968).
5. C. Ronchi and G. J. Hyland, J. Alloys Compd. 213-214, 159 (1994).
6. E. Yakub and C. Ronchi, J. Chem. Phys. 119, 11556 (2003).
7. L. V. Matveev and M. S. Veshchunov, Sov. Phys. JETP 111, 585 (1997).
8. E. Yakub, C. Ronchi, and I. Iosilevski, J. Phys. D 18, 1227 (2006).
9. G. C. Benson, P. I. Freeman, and E. Dempsey, J. Am. Ceram. Soc. 6, 43 (1962).
10. G. Dolling, R. A. Cowley, and A. D. Woods, Can. J. Phys. 43, 1397 (1965).
11. K. Govers, S. Lemehov, M. Hou, and M. Verwerft, J. Nucl. Mater. 366, 161 (2007).
12. Y. Ida, Phys. Earth Planet. Inter. 13, 97 (1976).
13. K. Kawamura, Springer Ser. Solid-State Sci. 103, 88 (1992).
14. K. Yamada, K. Kurosaki, M. Uno, and S. Yamanaka, J. Alloys Compd. 307, 1,10 (2000).
15. K. Kurosaki, K. Yamada, M. Uno, S. Yamanaka, K. Yamamoto, and T. Namekawa, J. Nucl. Mater. 294, 160 (2001).
16. K. Kurosaki, M. Imamura, I. Sato, T. Namekawa, M. Uno, and S. Yamanaka, J. Nucl. Sci. Technol. 0022-3131 41, 827 (2004); K. Kurosaki, M. Imamura, I. Sato, T. Namekawa, M. Uno, and S. Yamanaka, J. Alloys Compd. 387, 9 (2005).
17. K. Kurosaki, M. Imamura, I. Sato, T. Namekawa, M. Uno, and S. Yamanaka, J. Nucl. Sci. Technol. 0022-3131 41, 827 (2004); K. Kurosaki, M. Imamura, I. Sato, T. Namekawa, M. Uno, and S. Yamanaka, J. Alloys Compd. 387, 9 (2005).
18. C. B. Basak, A. K. Sengupta, and H. S. Kamath, J. Alloys Compd. 360, 210 (2003).
19. T. Arima, S. Yamasaki, Y. Inagaki, and K. Idemitsu, J. Alloys Compd. 400, 43 (2005).
20. M. Born, Ann. Phys. 61, 87 (1920).
21. International Nuclear Safety Centre (INSC) Material Properties Database, Argonne National Laboratory, Illinois, USA, http://www.insc.anl.gov/matprop
22. P. P. Ewald, Ann. Phys. 64, 253 (1921).
23. E. Yakub, J. Phys. A 39, 4643 (2006).
24. E. Yakub and C. Ronchi, J. Low Temp. Phys. 139, 633 (2005).
25. D. M. Himmelblau, Applied Nonlinear Programming (McGraw-Hill, New York, 1972).
26. N.-D. Morelon, D. Ghaleb, J.-M. Delhaye, and L. Van Brutzel, Philos. Mag. 83, 1533 (2003).
27. P. Browning, G. J. Hyland, and J. Ralph, High Temp. - High Press. 15, 169 (1983).
28. L. V. Gurvich, I. V. Veyts, and V. A. Medvedev, Thermodynamic Properties of Individual Substances (Nauka Publ., Moscow, 1996), Vol. 4.
29. D. Terentyev, K. Govers, V. Sobolev, and S. Lemehov, Proceedings of Global 2005, Tsekuba, Japan, October 9-13, 2005 (unpublished), paper No. 074.
30. A. Ya. Kupryazhkin, A. N. Zhiganov, D. V. Risovanyi, V. D. Risovanyi, and V. N. Golovanov, Pis'ma Zh. Tekh. Fiz. 74, 114 (2004).
31. A. B. Auskern and J. Belle, J. Nucl. Mater. 3, 267 (1961).
32. J. Belle, A. B. Auskern, W. A. Bostrom, and F. S. Susko, Westinghouse Electric Corporation, Bettis Atomic Power Laboratory, Report WAPD-T-1155, 1960 (unpublished).
33. Hj. Matzke, J. Chem. Soc., Faraday Trans. 2 83, 1121 (1987).
34. L. Pauling, The Nature of the Chemical Bond, 3d ed. (Cornell University Press, New York, 1960).
35. P. Sindzingre and M. J. Gillan, J. Phys. C 21, 4017 (1988).
36. T. Karakasidis and P. J. D. Lindan, J. Phys.: Condens. Matter 6, 2965 (1994).
37. P. J. D. Lindan and M. J. Gillan, Philos. Mag. B 69, 535 (1994).
38. J. R. Walker and C. R. A. Catlow, J. Phys. C 0022-3719 10.1088/0022-3719/14/32/004 14, L979 (1981); J. R. Walker and C. R. A. Catlow, J. Phys. C 53, 27 (1986).
39. J. R. Walker and C. R. A. Catlow, J. Phys. C 0022-3719 10.1088/0022-3719/14/32/004 14, L979 (1981); J. R. Walker and C. R. A. Catlow, J. Phys. C 53, 27 (1986).
40. L. Van Brutzel, M. Rarivomanantsoa, and D. Ghaleb, J. Nucl. Mater. 354, 28 (2006).
41. C. Ronchi, I. Iosilevski, and E. Yakub, Equation of State of Uranium Dioxide (Springer, Berlin-Heidelberg, 2004).
42. J. Frenkel, Z. Phys. 35, 652 (1926).
43. A. Azimi, V. M. Carr, A. V. Chadwick, F. G. Kirkwood, and R. Saghafian, J. Phys. Chem. Solids 45, 23 (1984).
44. Z. Hadari, M. Kroupp, and Y. Wolfson, J. Appl. Phys. 42, 534 (1971).
45. K. C. Kim and D. R. Olander, J. Nucl. Mater. 102, 192 (1981).
46. P. Ruello, G. Chirlesan, G. Petot-Ervas, C. Petot, and L. Desgranges, J. Nucl. Mater. 325, 202 (2004).
47. P. J. Hayward, I. M. George, R. A. Kaatz, and D. R. Olander, J. Nucl. Mater. 244, 36 (1997).