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Atomistic Studies of Grain Boundaries in NiAl

  • M. Yan (a1), S. P. Chen (a1) and V. Vitek (a2)


This paper presents the results of atomistic studies of grain boundaries in NiAl B2 alloy. The interatomic forces are described by Finnis-Sinclair type N-body potentials, and are fitted to properties of NiAl. The results show that the structure, energy and cohesive strength of a grain boundary depend strongly on its chemistry, and a grain boundary possessing more Al is the weakest. Energies of antisite defects at the grain boundary ∑5 {210} are also calculated, and the results suggest that Al has much larger tendency to segregate at a grain boundary than Ni does.



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1. Darolia, R., JOM 43, 44 (1991).
2. Miracle, D., Acta Metall. 41, 649684 (1993).
3. Brzeski, J. M., Hack, J. E., Darolia, R. and Field, R. D., Mater. Sci. and Eng., A 170, 11 (1993).
4. George, E. P. and Liu, C. T., J. Mater. Res. 5, (1990).
5. Finnis, M. W., and Sinclair, J. E., Phil. Mag. A 50, 45 (1984).
6. Ackland, G. J., Finnis, M. W., and Vitek, V., J. of Phys. F 18, L153 (1988).
7. Ackland, G. J., Tichy, G., Vitek, V., and Finnis, M. W., Phil. Mag. A 56, 735 (1987).
8. Rose, J. H., Smith, J. R., Guinea, F. and Ferrante, J., Phys. Rev. B 29, 2963 (1984).
9. Vitek, V., Ackland, G. J., and Cserti, J., in Alloy Phase Stability and Design (eds. G.M. Stocks, D. P. Pope, and A.F. Giamei), Mater. Res. Soc. Symp., 186, 237 (1991).
10. Bradley, A. J. and Taylor, A., Proc. Roy. Soc. A 159, 56 (1937).
11. Yan, M., Vitek, V., and Chen, S. P., in preparation.
12. Sutton, A. P. and Vitek, V., Phil. Trans. Royal Soc., London A 309, 1, (1983).
13. Chen, S. P., Voter, A. F., Boring, A. M., Albers, R. C., and Hay, P. J., in High Temperature Ordered Intermetallic Alloys III, (eds. C. T. Liu, A. I. Taub, N. S. Stoloff and C. C. Koch), Mater. Res. Soc. Symp. Proc. 133, 149 (1989).
14. Petton, G. and Farkas, D., Scrip. Metall., 25, 55 (1991)
15. Darolia, R., Chang, K. M., and Hack, J. E., Intermetallics 1, 65 (1993).
16. Fonda, R. W., Yan, M., and Luzzi, D. E., submitted to Phil. Mag. Lett. (1994).

Atomistic Studies of Grain Boundaries in NiAl

  • M. Yan (a1), S. P. Chen (a1) and V. Vitek (a2)


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