Hostname: page-component-78c5997874-s2hrs Total loading time: 0 Render date: 2024-11-08T06:31:53.809Z Has data issue: false hasContentIssue false
  • English
  • Français

Embedded atom calculations of unstable stacking fault energies and surface energies in intermetallics

Published online by Cambridge University Press:  31 January 2011

D. Farkas ,
S. J. Zhou ,
C. Vailhé ,
B. Mutasa  and
J. Panova
D. Farkas
Affiliation:
Department of Materials Science and Engineering, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061
S. J. Zhou
Affiliation:
Theoretical Division and Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545
C. Vailhé
Affiliation:
Department of Materials Science and Engineering, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061
B. Mutasa
Affiliation:
Department of Materials Science and Engineering, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061
J. Panova
Affiliation:
Department of Materials Science and Engineering, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061
Get access

Abstract

We performed embedded atom method calculations of surface energies and unstable stacking fault energies for a series of intermetallics for which interatomic potentials of the embedded atom type have recently been developed. These results were analyzed and applied to the prediction of relative ductility of these materials using the various current theories. Series of alloys with the B2 ordered structure were studied, and the results were compared to those in pure body-centered cubic (bcc) Fe. Ordered compounds with L12 and L10 structures based on the face-centered cubic (fcc) lattice were also studied. It was found that there is a correlation between the values of the antiphase boundary (APB) energies in B2 alloys and their unstable stacking fault energies. Materials with higher APB energies tend to have higher unstable stacking fault energies, leading to an increased tendency to brittle fracture.

Type
Articles
Information
Journal of Materials Research , Volume 12 , Issue 1 , January 1997 , pp. 93 - 99
Copyright
Copyright © Materials Research Society 1997

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

REFERENCES

1.Rice, J. and Thomson, R., Philos. Mag. 29, 73 (1974).Google Scholar
2.Rice, J., Mechanics, J. and Physics of Solids 40, 239 (1992).Google Scholar
3.Zhou, S. J., Carlsson, A., and Thomson, R., Phys. Rev. B 47, 7710 (1993).CrossRefGoogle Scholar
4.Zhou, S. J., Carlsson, A., and Thomson, R., Phys. Rev. Lett. 72, 852 (1994).CrossRefGoogle Scholar
5.Zhou, S. J., unpublished.Google Scholar
6.Zhou, S. J., Lomdahl, P. S., Thomson, R., and Holian, B. L., Phys. Rev. Lett. 76, 2318 (1996).Google Scholar
7.Daw, M. and Baskes, M., Phys. Rev. B 29, 6443 (1984).Google Scholar
8.Finnis, M. and Sinclair, J., Philos. Mag. A 50, 45 (1984).Google Scholar
9.Sun, Y., Beltz, G., and Rice, J., Mater. Sci. Eng. A 170, 67 (1993).CrossRefGoogle Scholar
10.Johnson, R. A. and Oh, D. J., J. Mater. Res. 4, 1195 (1989).CrossRefGoogle Scholar
11.Harrison, R., Voter, A. F., and Chen, S. P., in Atomistic Simulation of Materials, edited by Vítek, V. and Srolovitz, D. (Plenum, New York and London, 1989), p. 219.CrossRefGoogle Scholar
12.Farkas, D., Mutasa, B., Vailhé, C., and Ternes, K., Modelling and Simulation in Materials Science and Engineering 3, 201 (1994).CrossRefGoogle Scholar
13.Vítek, V., Philos. Mag. 18, 773 (1968).CrossRefGoogle Scholar
14.Mutasa, B. and Farkas, D., unpublished.Google Scholar
15.Parthasarathy, T. A., Rao, S. I., and Dimiduk, D., Philos. Mag. A 67, 643 (1993).Google Scholar
16.Pasianot, R. and Savino, E., Phys. Rev. B 45, 12704 (1992).Google Scholar
17.Simonelli, G., Pasianot, R., and Savino, E., in Materials Theory and Modelling, edited by Broughton, J., Bristowe, P., and Newsam, J. (Mater. Res. Soc. Symp. Proc. 291, Pittsburgh, PA, 1993), p. 567.Google Scholar
18.Chang, K., Darolia, R., and Lipsitt, H., Acta Metall. et Mater. 10, 2727 (1992).CrossRefGoogle Scholar
19.Hack, J., Brzeski, J., and Darolia, R., Mater. Sci. Eng. A 192/193, 268 (1995).Google Scholar
20.Voter, A. and Chen, S., in Characterization of Defects in Materials, edited by Siegel, R. W., Weertman, J. R., and Sinclair, R. (Mater. Res. Soc. Symp. Proc. 82, Pittsburgh, PA, 1987), pp. 175–180.Google Scholar
21.Vailhé, C. and Farkas, D., unpublished.Google Scholar
22.Vailhé, C. and Farkas, D., in High-Temperature Ordered Intermetallic Alloys VI, edited by Horton, J., Baker, I., Hanada, S., Noebe, R. D., and Schwartz, D. S. (Mater. Res. Soc. Symp. Proc. 364, Pittsburgh, PA, 1995), p. 395.Google Scholar
23.Farkas, D., Modelling and Simulation in Materials Science and Engineering 2, 975 (1994).Google Scholar
24.Hoagland, R., Daw, M., Foiles, S., and Baskes, M., J. Mater. Res. 5, 313 (1990).Google Scholar
25.Foiles, S., Baskes, M., and Daw, M., Phys. Rev. B 33, 7983 (1986).CrossRefGoogle Scholar
26.Foiles, S. and Daw, M., J. Mater. Res. 2, 5 (1987).Google Scholar
27.Harrison, R., Spaepen, F., Voter, A., and Chen, A., in Innovations in Ultrahigh-Strength Steel Technology, edited by Olson, G., Azrin, M., and Wright, E. (Plenum, New York, 1990), p. 651.Google Scholar
28.Rao, A., Woodward, C., and Parthasarathy, T., in High-Temperature Ordered Intermetallic Alloys IV, edited by Johnson, L. A., Pope, D. P., and Stiegler, J. O. (Mater. Res. Soc. Symp. Proc. 213, Pittsburgh, PA, 1991), pp. 125–130.Google Scholar
29.Thompson, A. and Knott, J., Metall. Trans. A 24, 523 (1993).CrossRefGoogle Scholar