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Molecular Dynamics Simulation of Electron Irradiation-Induced Amortization of the Ordered Compound NiZr

Published online by Cambridge University Press:  28 February 2011

R. Devanathan ,
N. Q. Lam ,
M. J. Sabochick ,
P. R. Okamoto  and
M. Meshh
R. Devanathan
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, IL 60439 Dept. of Materials Science and Engineering, Northwestern University, Evanston, IL 60201
N. Q. Lam
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, IL 60439
M. J. Sabochick
Affiliation:
Gulf States Utilities Co., Beaumont, TX 77704
P. R. Okamoto
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, IL 60439
M. Meshh
Affiliation:
Dept. of Materials Science and Engineering, Northwestern University, Evanston, IL 60201
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Abstract

We present the results of a molecular dynamics simulation of the crystalline-to-amorphous transformation in the ordered intermetallic compound NiZr, using embedded-atom potentials. It is found that NiZr can be amorphized by random atom exchanges as well as by the introduction of Frenkel pairs. In both cases, the shear elastic constants C44 and C decreased drastically and eventually became equal. The average shear elastic constant fell to about 40% of its original value. These results are in general agreement with experimental observations.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 235: Symposium A – Phase Formation and Modification by Beam-Solid Interactions , 1991 , 539
Copyright
Copyright © Materials Research Society 1992

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References

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