Embedded atom simulation of the B2 phase in Nb-Ti-Al

Computational Materials Science

Volumn 6, Issue 3, 1996, Pages 231-239

  Jones, Chris ^a   Farkas, Diana ^a  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPOSITION; COMPUTER SIMULATION; CRYSTAL LATTICES; DUCTILITY; ELASTICITY; MECHANICAL PROPERTIES; NIOBIUM ALLOYS; NUMERICAL METHODS; TERNARY SYSTEMS;

EMBEDDED ATOM METHOD; INTERMETALLIC COMPOSITIONS; MINIMUM ENERGY LATTICE; NIOBIUM TITANIUM ALUMINUM ALLOYS;

INTERMETALLICS;

EID: 0030258313     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/0927-0256(96)00015-8     Document Type: Article

References (26)

1. 3Al-x ribbons, in: High Temperature Ordered Intermetallic Alloys IV, Vol. 213 (1991) p. 865.
2. M. Aindow, J. Shyue, T. Gaspar and H. Fraser, Philos. Mag. Lett. 64 (1991) 59.
3. E. Menon, P. Subramanian and D. Dimiduk, Scr. Metall. Mater. 27 (1992) 265.
4. J. Shyue, D. Hou, S. Johnson, M. Aindow and H. Fraser, Deformation mechanisms and mechanical properties of B2 compounds in Ti-modified Nb-Al alloys, in: High Temperature Ordered Intermetallic Alloys V, Vol. 288 (1993) p. 573.
5. J. Shyue, D. Hou, M. Aindow and H. Fraser, Mater. Sci. Eng. A 170 (1993) 1.
6. D. Farkas, Modell. Simul. Mater. Sci. Eng. 2 (1994) 975.
7. R. Pasianot and E. Savino, Phys. Rev. B 45 (1992) 12704.
8. D. Oh and R. Johnson, J. Mater. Res. 3 (1988) 471.
9. 3Al, in: Materials Research Society Symposium Proceedings, Vol. 82 (1987) pp. 175-180.
10. D. Farkas and C. Jones, Interatomic potentials for ternary Nb-Ti-Al alloys, Modell. Simul. Mat. Sci. Eng. 4 (1996) 23.
11. J. Panova and D. Farkas, Effects of angular dependent terms in the interatomic potential on defect properties in TiAl, in: Materials Research Society Symposium Proceedings, Vol. 364 (1995) pp. 151-136.
12. A. Kuzmin and T. Moiseeva, Fiz. Metall. 18 (1964) 926.
13. A. Miedema, F. Boer and R. Boom, Calphad 1 (1977) 341.
14. 2 compounds, in: Alloy Modelling and Design, eds. G. Stock and Turchi (TMS, 1994) p. 291.
15. 2 and related phases in Ti-modified Nb-Al alloys, in: High-Temperature Suicides and Refractory Alloys, Proc. MRS, Vol. 322 (1993) p. 437.
16. D. Papaconstantopoulos et al., First Principles Calculations of Electronic Structure, Total Energy and Elastic Properties, Technical Report (Naval Research Laboratory, 1993).
17. S.S. Yang, D. Hou, J. Shyue, R. Wheeler and H.L. Fraser, Pseudo-twinning in a deformed Nb-15Al-25Ti B2 alloy, in: Materials Research Society Symposium Proceedings, Vol. 364 (1995) p. 1359.
18. J. Rice and R. Thomson, Philos. Mag. 29 (1974) 73.
19. J. Rice, J. Mech. Phys. Solids 40 (1992) 239.
20. S. Zhou, A. Carlsson and R. Thomson, Phys. Rev. B 47 (1993) 7710.
21. S. Zhou, A. Carlsson and R. Thomson, Phys. Rev. Lett. 72 (1994) 852.
22. C. Vailhé and D. Farkas, Shear faults and dislocation core structures in B2 CoAl, in: Materials Research Society Symposium Proceedings, Vol. 364 (1995) p. 395.
23. D. Farkas, S. Zhou, C. Vailhé, B. Mutasa and J. Panova, Embedded atom calculations of unstable stacking fault energies and surface energies in intermetallics, J. Mat. Research, in press.
24. D. Farkas and C. Jones, Dislocation core structure in the B2 phase of Nb-40, Comput. Mater. Sci., in press.
25. M.J. Mehl, Understanding the Nb-Ti-Al system: First principles calculations, in: Mater. Res. Soc. Symp. Proc., Vol. 364 (1995) p. 1265.
26. L. Bendersky, W. Boettinger and A. Roytburd, Acta Metall. Mater. 39 (1991) 1959.