Fe-Ni many-body potential for metallurgical applications

Modelling and Simulation in Materials Science and Engineering

Volumn 17, Issue 2, 2009, Pages

  Bonny, G ^a,b   Pasianot, R C ^c,d   Malerba, L ^a  

^a BELGIAN NUCLEAR RESEARCH CENTRE   (Belgium)

^b GHENT UNIVERSITY   (Belgium)

^c DEPARTAMENTO DE FÍSICA   (Argentina)

^d Facultad de Ciencias Naturales e Instituto M Lillo   (Argentina)

Author keywords

[No Author keywords available]

Indexed keywords

DEFECT DENSITY; DENSITY FUNCTIONAL THEORY; FERRITIC STEEL; GROUND STATE; INTERMETALLICS; ISING MODEL; NICKEL; PHASE DIAGRAMS;

ALLOY PHASE DIAGRAMS; AUSTENITIC PHASE; CONCENTRATION RANGES; CORRELATION FUNCTIONS; DEFECT PROPERTIES; DENSITY FUNCTIONAL THEORY CALCULATIONS; INTERATOMIC POTENTIALS; INTERMETALLIC-PHASES; MANY BODIES; MANY-BODY POTENTIALS; METALLURGICAL APPLICATIONS; MIXING ENTHALPIES;

IRON ALLOYS;

EID: 63749088091     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/17/2/025010     Document Type: Article

References (33)

1. ASTM Standard E 900, 2002 2007 Predicting Radiation-Induced Transition Temperature Shift in Reactor Vessel Materials, E706 (IIF) (West Conshohocken, PA: ASTM International) www.astm.org
2. Reed A H 2003 Metall. Mater. Trans. A 34 1759
3. Rossiter P L and Jago R A 1984 Mater. Res. Symp. Proc. (Amsterdam: North Holland) p 409
4. Rossiter P L and Lawrence P J 1984 Phil. Mag. A 49 535
5. Reuter K B, Williams D B and Goldstein J I 1989 Metall. Trans. 20 719
6. Mishin Y, Mehl M J and Papaconstantopoulos D A 2005 Acta Mater. 53 4029
7. Grujicic M and Dang P 1995 Mater. Sci. Eng. A 201 194
8. Grujicic M, Lai S and Gumbsch P 1997 Mater. Sci. Eng. A 231 151
9. Meyer R and Entel P 1998 Phys. Rev. B 57 5140
10. Daw M S and Baskes M I 1984 Phys. Rev. B 29 6443
11. Pasianot R C and Malerba L 2007 J. Nucl. Mater. 360 118
12. Mendelev M I, Han A, Srolovitz D J, Ackland G J, Sun D Y and Asta M 2003 Phil. Mag. A 83 3977
13. Voter A F and Chen S P 1987 Mater. Res. Soc. Symp. Proc. 82 175
14. Finnis M W and Sinclair J E 1984 Phil. Mag. A 50 45
15. Vincent E, Becquart C S and Domain C 2005 Nucl. Instrum. Methods Phys. Res. B 228 137
16. Olsson P 2007 private communication
17. Vincent E, Becquart C S and Domain C 2007 Nucl. Instrum. Methods Phys. Res. B 255 78
18. Vincent E, Becquart C S and Domain C 2006 J. Nucl. Mater. 351 88
19. Inden G and Pitsch W 1991 Materials Science and Technology (Phase Transformations in Materials) vol 5 ed R W Cahn et al (Weinheim: Wiley) p 497
20. Ducastelle F 1991 Cohesion and Structure (Order and Phase Stability in Alloys) vol 3 (Amsterdam: North-Holland)
21. Olsson P, Domain C and Wallenius J 2007 Phys. Rev. B 75 014110
22. Domain C and Becquart C S 2001 Phys. Rev. B 65 024103
23. Fu C-C, Willaime F and Ordejón P 2004 Phys. Rev. Lett. 92 175503
24. Ehrhart P, Robrock K H and Schober H R 1986 Physics of Radiation Effects in Crystals ed R A Johnson and A N Orlov (Amsterdam: Elsevier) p 63 and references therein
25. Domain C and Becquart C S 2007 P58: WPII: RPV & internals, ab initio and Interatomic Potentials, Annual Activity Report at Month 48 ed L Malerba
26. Forsch K, Hemmerich J, Knöll H and Lucki G 1974 Phys. Status Solidi a 23 223
27. Knöll H, Dedek U and Schilling W 1974 J. Phys. F: Met. Phys. 4 1095
28. van de Walle A and Ceder G 2002 J. Phase Equilib. 23 348
29. van de Walle A and Asta M 2002 Modelling Simul. Mater. Sci. Eng. 10 521
30. DeHoff R T 2006 Thermodynamics in Materials Science (London: CRC Press)
31. Bonny G, Pasianot R C, Malerba L, Caro A, Olsson P and Lavrentiev M Yu 2008 J. Nucl. Mater. (at press) (doi:10.1016/j.jnucmat.2008.12.001)
32. Finel A 1987 Contribtion a l'étude des effects d'ordre dans le cadre du modèle d'ising: états de base et diagrammes de phase PhD Thesis Université Pierre et Marie Curie, Paris
33. Kanamori J and Kakehashi Y 1977 J. Physique Coll. 38 C7-274