Hostname: page-component-586b7cd67f-dsjbd Total loading time: 0 Render date: 2024-11-25T15:29:51.392Z Has data issue: false hasContentIssue false
  • English
  • Français

Simulation Of Dislocations In Ordered Ni3Al By Atomic Stiffness Matrix Method

Published online by Cambridge University Press:  15 February 2011

Y. E. Hsu  and
T.K. Chaki
Y. E. Hsu
Affiliation:
State University of New York, Department of Mechanical and Aerospace Engineering, Buffalo, NY 14260
T.K. Chaki
Affiliation:
State University of New York, Department of Mechanical and Aerospace Engineering, Buffalo, NY 14260
Get access

Abstract

A simulation of structure and motion of edge dislocations in ordered Ni3Al was performed by atomic stiffness matrix method. In this method the equilibrium positions of the atoms were obtained by solving a set of linear equations formed by a stiffness matrix, whose terms consisted of derivatives of the interaction potential of EAM (embedded atom method) type. The superpartial dislocations, separated by an antiphase boundary (APB) on (111), dissociated into Shockley partials with complex stacking faults (CSF) on (111) plane. The core structure, represented by the Burgers vector density distribution and iso-strain contours, changed under applied stresses as well as upon addition of boron. The separation between the superpartials changed with the addition of B and antisite Ni. As one Shockley partial moved out to the surface, a Shockley partial in the interior moved a large distance to join the lone one near the surface, leaving behind a long CSF strip. The decrease in the width of the APB upon addition of B and antisite Ni has been explained by a reduction of the strength of directional bonding between Ni and Al as well as by the dragging of B atmosphere by the superpartials.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 409: Symposium Q – Fracture-Instablility Dynamics, scaling and Ductile/Brittle Behavior , 1995 , 121
Copyright
Copyright © Materials Research Society 1996

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Thornton, P. H., Davies, R. G., and Johnston, T. L., Metall. Trans. 1A, 207 (1970).Google Scholar
2. Takeuchi, S. and Kuramoto, E.. Acta Metall. 21, 415 (1973).Google Scholar
3. Paidar, V., Pope, D. P., and Vitek, V., Acta Metall. 32, 435, 1984.Google Scholar
4. Hirsch, P. B., Phil. Mag. A 65. 569 (1992).Google Scholar
5. Kear, B. H. and Wilsdorf, H. G. F., Trans. Metall. Soc. 224, 382 (1962).Google Scholar
6. Yamaguchi, M., Paidar, V., Pope, D. P., and Vitek, V., Phil. Mag. A 45, 867 (1982).Google Scholar
7. Farkas, D. and Savino, E. J., Scripta Metall. 22, 557 (1988).Google Scholar
8. Yoo, M. H.. Daw, M. S., and Baskes, M. I. in Atomistic Simulation of Materials – Beyond Pair Potentials, edited by Vitek, V. and Slorovitz, D. J. (Plenum Press, New York. NY 1989). p. 401–410.Google Scholar
9. Parthasarathy, T. A., Dimiduk, D. M., Woodward, C.. and Diller, D. in High Temperature Ordered Intermetallic Alloys, edited by Johnson, L., Pope, D. P., and Stiegler, J. O. (Mat. Res. Soc. Proc. 213, Pittsburgh, PA 1991), p. 337–342.Google Scholar
10. Korner, A.. Phil. Mag. A 58. 507 (1988).Google Scholar
11. Shi, X.. Saada, G.. and Veyssiere, P. in High Temperature Ordered Intermetallic Alloys VI. edited by Horton, J. A., Baker, I., Hanada, S.. Noebe, R. D.. and Schwartz, D. S. (Mat. Res. Soc. Proc. 364, Pittsburgh. PA 1995). p. 701–706.Google Scholar
12. Aoki, K. and Izumi, O.. J. Japan Inst. Metals 43. 1190 (1979).Google Scholar
13. Liu, C.T.. White, C.L.. and Horton, J.A., Acta Metall. 33, 213 (1985).Google Scholar
14. Dasgupta, A., Smedskjaer, L.C., Legnini, D.G.. and Siegel, R.W., Mater. Lett. 3, 457 (1985).Google Scholar
15. Chaki, T.K., Philos. Mag. Lett. 61, 5 (1990); Mater. Sci. Eng. A. 190, 109 (1995).Google Scholar
16. Hestenes, M.. Conjugate Direction Methods in Optimization, Springer-Verlag, New York. 1980, pp. 17–18.Google Scholar
17. Bathe, K.-J., Finite Element Procedures in Engineering Analysis. Prentice Hall. New Jersey, 1982.Google Scholar
18. Voter, A. F. and Chen, S. P. in Characterization of Defects in Materials. edited by Siegel, R. W., Weertman, J. R., and Sinclair, R. (Mat. Res. Soc. Proc. 82. Pittsburgh. PA 1987). p. 175–180.Google Scholar
19. Cook, R. D. in Concepts and Applications of Finite Element Analysis, 2nd edition, John Wiley. New York 1981, pp. 41–45.Google Scholar
20. Vitek, V.. Lejcek, L.. and Bowen, D. K. in Interatomic Potential and Simulation of Lattice Defects, edited by Gehlen, P. C., Beeler, J. R. Jr.., and Jaffe, R. I. (Plenum Press: New York 1972). p. 493.Google Scholar
21. Hirth, J. P. and Lothe, J.. Theory of Dislocations. 2nd ed., Wiley., New York.Google Scholar