Simulation of displacement cascades in Fe90Cr10 using a two band model potential

Journal of Nuclear Materials

Volumn 372, Issue 2-3, 2008, Pages 312-317

  Bjorkas C ^a   Nordlund, K ^a   Malerba, L ^b   Terentyev, D ^b   Olsson, P ^c  

^a UNIVERSITY OF HELSINKI   (Finland)

^b BELGIAN NUCLEAR RESEARCH CENTRE   (Belgium)

^c EDF R AND D   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ENTHALPY; MOLECULAR DYNAMICS; PARAMETER ESTIMATION;

BAND EMBEDDED ATOMIC MODEL; BAND MODEL POTENTIAL; ONE BAND MODEL (1BM);

IRON COMPOUNDS;

EID: 37249018072     PISSN: 00223115     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnucmat.2007.03.265     Document Type: Article

References (35)

1. Klueh R., Ehrlich K., and Abe F. J. Nucl. Mater. 191-194 (2002) 116
2. Kohyama A., Hishinuma A., Gelles D., Klueh R., and Ehrlich K. J. Nucl. Mater. 233-237 (1996) 138
3. Garner F., Toloczko M., and Sencer H. J. Nucl. Mater. 276 (2000) 123
4. Sencer B., and Garner F. J. Nucl. Mater. 283-287 (2000) 164
5. Terentyev D., Malerba L., and Hou M. Nucl. Instrum. and Meth. B 228 (2005) 156
6. Terentyev D., Malerba L., Chakarova R., Domain C., Nordlund K., Olsson P., Rieth M., and Wallenius J. J. Nucl. Mater. 349 (2006) 119
7. Shim J.-H., Lee H.-J., and Wirth B.D. J. Nucl. Mater. 351 (2006) 56
8. Farkas D., Schon C.G., de Lima M.S.F., and Goldstein H. Acta Mater. 44 (1996) 409
9. Konishi T., Ohsawa K., Abe H., and Kuramoto E. Comput. Mater. Sci. 14 (1999) 108
10. R. Chakarova, V. Pontikis, J. Wallenius, Development of fe(bcc)cr many body potential and cohesion model, Delivery Report WP6, SPIRE Project, EC Contract No. FIKW-CT-2000-00058, Available at .
11. Caro A., Crowson D.A., and Caro M. Phys. Rev. Lett. 95 7 (2005) 075702
12. P. Olsson, L. Malerba, A. Almazouzi, SCK-CEN Report BLG-950.
13. Mirebeau I., Hennion M., and Parette G. Phys. Rev. Lett 53 7 (1984) 687
14. Olsson P., Abrikosov I., and Wallenius J. Phys. Rev. B 73 (2006) 104416
15. Olsson P., Wallenius J., Domain C., Nordlund K., and Malerba L. Phys. Rev. B 72 (2005) 214119
16. Cowley J. Phys. Rev. 77 5 (1950) 669
17. Ackland G.J., Mendelev M.I., Srolovitz D.J., Han S., and Barashev A.V. J. Phys.: Condens. Mat. 16 27 (2004) S2629
18. Wallenius J., Olsson P., Lagerstedt C., Sandberg N., Chakarova R., and Pontikis V. Phys. Rev. B 69 (2003) 094103
19. Wallenius J., Olsson P., and Lagerstedt C. Nucl. Instrum. and Meth. B 228 (2005) 122
20. Andersen O., and Saha-Dasgupta T. Phys. Rev. B 62 (2000) R16219
21. Kresse G., and Joubert D. Phys. Rev. B 59 (1999) 1758
22. Blöchl P. Phys. Rev. B 50 (1994) 17953
23. Olsson P., Abrikosov I., Vitos L., and Wallenius J. J. Nucl. Mater. 321 (2003) 84
24. parcas computer code. The main principles of the molecular dynamics algorithms are presented in [33,34]. The adaptive time step and electronic stopping algorithms are the same as in [35].
25. Allen M.P., and Tildesley D.J. Computer Simulation of Liquids (1989), Oxford University Press, Oxford, England
26. Berendsen H.J.C., Postma J.P.M., van Gunsteren W.F., DiNola A., and Haak J.R. J. Chem. Phys. 81 8 (1984) 3684
27. See e.g. Ashcroft N.W., and Mermin N.D. Solid State Physics (1976), Saunders, Philadelphia Chapter 4
28. Foreman A.J.E., Phythian W.J., and English C.A. Rad. Eff. Def. Sol. 129 1-2 (1994) 25
29. Becquart C.S., Domain C., Legris A., and Duysen J.-C.V. J. Nucl. Mater. 280 (2000) 73
30. Terentyev D., Lagerstedt C., Olsson P., Nordlund K., Wallenius J., and Malerba L. J. Nucl. Mater. 351 (2006) 65
31. Spaczér M., Almazouzi A., Schäublin R., and Victoria M. Rad. Eff. Defect Sol. 141 (1997) 349
32. Colla T.J., Urbassek H.M., Nordlund K., and Averback R.S. Phys. Rev. B 63 (2000) 104206
33. Nordlund K., Ghaly M., Averback R.S., Caturla M., Diaz de la Rubia T., and Tarus J. Phys. Rev. B 57 13 (1998) 7556
34. Ghaly M., Nordlund K., and Averback R.S. Philos. Mag. A 79 4 (1999) 795
35. Nordlund K. Comput. Mater. Sci. 3 (1995) 448