The computational modeling of alloys at the atomic scale: From ab initio and thermodynamics to radiation-induced heterogeneous precipitation

JOM

Volumn 59, Issue 4, 2007, Pages 52-57

  Caro, A ^a   Caro, M ^a   Klaver, P ^b   Sadigh, B ^a   Lopasso, E M ^c   Srinivasan, S G ^d  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

^b QUEEN'S UNIVERSITY BELFAST   (United Kingdom)

^c INSTITUTO BALSEIRO   (Argentina)

^d LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AGE HARDENING; COMPUTATIONAL METHODS; COMPUTER SIMULATION; FREE ENERGY; MATHEMATICAL MODELS; MONTE CARLO METHODS; SOLID SOLUTIONS; THERMODYNAMIC PROPERTIES;

ATOM DISPLACEMENT; ATOMISTIC METHOD;

IRON ALLOYS;

EID: 34548225407     PISSN: 10474838     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11837-007-0055-y     Document Type: Article

References (27)

1. R.M. Martin, Electronic Structure. Basic Theory and Practical Methods (Cambridge, U.K.: Cambridge University Press, 2004).
2. G.J. Ackland, J. Phys. Cond. Matter, 14 (2002), p. 2975.
3. M.S. Daw, S.M. Foiles, and M.I. Baskes, Mater. Sci. Rep., 9 (1993), p. 251.
4. A.E. Carlsson, Solid State Physics: Advances in Research and Applications, vol. 43 (New York: Academic, 1990).
5. P. Erhart et al., J. Phys. Cond. Matter, 18 (2006), p. 6585.
6. F.A. Garner, M.B. Toloczko, and B.H. Sencer, J. Nucl. Mater., 276 (2000), p. 123.
7. A. Hishinuma et al., J. Nucl. Mater, 258-263 (1998), p. 193.
8. S.J. Zinkle, Phys. Plasmas, 12 (2005), p. 058101.
9. A. Caro, D.A. Crowson, and M. Caro, Phys. Rev. Lett., 95 (2005), p. 075702.
10. P. Olsson et al., J. Nucl. Mater, 321 (2003), p. 84.
11. N. Saunders and A.P. Miodownik, Calphad. A Comprehensive Guide, ed.W. Cahn Editor (Amsterdam: Pergamon Materials Series, R., 1998).
12. I. Ansara and B. Sundman, Computer Handling and Dissemination of Data (London: Elsevier Science Pub Go., 1987).
13. A Dinsdale, CALPHAD, 15 (1991), p. 317.
14. A. Caro et al., J. Nucl. Mater., 336 (2005), p. 233.
15. A. Caro et al., J. Nucl. Mater., 349 (2006), p. 317.
16. E.O. Arregui, M. Caro, and A. Caro, Phys. Rev. B, 66 (2002), p. 054201.
17. E.M. Lopasso et al., Phys. Rev. B, 68 (2003), p. 214205.
18. A. Caro et al., Nucl. Mater., 323 (2004), p. 233.
19. A. Caro et al., Appl. Phys. Lett., 89 (2006), p. 121902.
20. M.I. Mendelev et al., Phil. Mag., 83 (2003), p. 3977.
21. J. Wallenius et al., Phys. Rev., 69 (2004), p. 094103.
22. T.P.C. Klaver, R. Drautz, and M.W. Finnis, Phys. Rev. B, 74 (2006), p. 094435.
23. A.A. Mirzoev, M.M. Yalalov, and D.A. Mirzaev, The Physics of Metals and Metallography, 97 (2003), p. 336.
24. B. Sadigh et al., unpublished research (2006).
25. V. Barbe and M. Nastar, Nature Mater., 5 (2006), p. 482.
26. E. Wakay and et al., J. Physique, C7 (1995), p. 277.
27. W.T. Geng, Phys. Rev. B, 68 (2003), p. 233402.