The Fe-Cr system: atomistic modelling of thermodynamics and kinetics of phase transformations

Comptes Rendus Physique

Volumn 9, Issue 3-4, 2008, Pages 379-388

  Nguyen Manh, Duc ^a   Lavrentiev, M Yu ^a   Dudarev, Sergei L ^a  

^a CULHAM SCIENCE CENTRE   (United Kingdom)

Author keywords

Fe Cr alloys; Kinetics; Thermodynamics

Indexed keywords

EID: 43049083666     PISSN: 16310705     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.crhy.2007.10.011     Document Type: Short Survey

References (33)

1. Koyama A., Hishinuma A., Gelles D.S., Klueh R.L., Dietz W., and Ehrlich K. J. Nucl. Mater. 233-237 (1996) 138
2. Little E.A., and Stow D.A. J. Nucl. Mater. 87 (1979) 25
3. Nguyen-Manh D., Vitek V., and Horsfield A.P. Prog. Mater. Sci. 52 (2007) 255
4. Dudarev S.L., and Derlet P.M. J. Phys.: Condens. Matter 17 (2005) 7097
5. Derlet P.M., and Dudarev S.L. Prog. Mater. Sci. 52 (2007) 299
6. Olsson P., Abdrikosov I.A., Vitos I., and Wallenius J. J. Nucl. Mater. 321 (2003) 84-90
7. Caro A., Crowson D.A., and Caro M. Phys. Rev. Lett. 95 (2005) 075702
8. Zunger A. In: Turchi P.E.A., and Gonis A. (Eds). Proceedings of the NATO ASI on "Statics and Dynamics of Alloy Phase Transformations" (1994), Plenum Press, New York 361
9. Blum V., and Zunger A. Phys. Rev. B 69 (2004) 020103R
10. Drautz R., Diaz-Ortiz A., and Fähnle M. Phys. Rev. Lett. 93 (2004) 067202
11. Lavrentiev M., Drautz R., Nguyen-Manh D., Klaver P.T.C., and Dudarev S.L. Phys. Rev. B 75 (2007) 014208
12. D. Nguyen-Manh, M.Yu. Lavrentiev, S.L. Dudarev, in: P. Gumbsch (Ed.), "Multiscale Materials Modeling", Third International Conference, September 2006, Freiburg, Germany, pp. 767-770; J. Comp. Mater. Design (2007)
13. Klaver P.T.C., Drautz R., and Finnis M.W. Phys. Rev. B 74 (2006) 224207
14. Ducastelle F. Order and Phase Stability in Alloys (1991), Elsevier
15. Saunders N., and Miodownik A.P. CALPHAD, Calculation of Phase Diagrams (1998), Pergamon
16. Hennion M. J. Phys. F: Met. Phys. 13 (1983) 2351
17. Mirzoev A.A., Yalalov M.M., and Mirzaev D.A. Phys. Met. Metallogr. 97 (2004) 4336
18. Olsson P., Abrikosov I.A., and Wallenius J. Phys. Rev. B 73 (2006) 104416
19. Nguyen-Manh D., Lavrentiev M.Yu., and Dudarev S.L. Comp. Mat. Sci. (2007)
20. Kresse G., and Furthmüller J. VASP the GUIDE (2003), Universität Wien, Austria
21. Guo G.Y., and Ebert H. Phys. Rev. B 50 (1994) 3861
22. A. Froideval, M. Samaras, M. Victoria, W. Hoffelner, Abstract No. JJ3.6, MRS Fall Meeting, November, Boston, 2006
23. Mirebeau I., Hennion M., and Parette G. Phys. Rev. Lett. 53 (1984) 687
24. Fultz B., Anthony L., Robertson J.L., Nicklow R.M., Spooner S., and Mostoller M. Phys. Rev. B 52 (1995) 3280
25. Caro A., Caro M., Lopasso E.M., and Crowson D.A. Appl. Phys. Lett. 89 (2006) 121902
26. Fu C.C., Willaime F., and Ordejon P. Phys. Rev. Lett. 92 (2004) 175503
27. Nguyen-Manh D., Horsfield A.P., and Dudarev S.L. Phys. Rev. B 73 (2006) 020101R
28. Nikolaev A.L. J. Phys.: Condens. Matter 11 (1999) 8633
29. Le Bouar Y., and Soisson F. Phys. Rev. B 65 (2003) 094103
30. Martin G., Bellon P., and Soisson F. Defect and Diffusion Forum 143 (1997) 385
31. Derlet P.M., Nguyen-Manh D., and Dudarev S.L. Phys. Rev. B 76 (2007) 054107
32. Liu G.Q., Nguyen-Manh D., Liu B.G., and Pettifor D.G. Phys. Rev. B 71 (2005) 174115
33. Moran S., Ederer C., and Fähnle M. Phys. Rev. B 67 (2003) 012407