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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
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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

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