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Molecular Dynamics Simulations of Low Energy Displacement Cascades in the Ordered Compound CuTi

Published online by Cambridge University Press:  28 February 2011

H. Zhu ,
N. Q. Lam ,
R. Devanathan  and
M. J. Sabochick
H. Zhu
Affiliation:
Argonne National Laboratory, Argonne, IL 60439
N. Q. Lam
Affiliation:
Argonne National Laboratory, Argonne, IL 60439
R. Devanathan
Affiliation:
Argonne National Laboratory, Argonne, IL 60439
M. J. Sabochick
Affiliation:
Gulf States Utilities Co., Beaumont, TX 77704
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Abstract

The properties of low-energy (≤500 eV) displacement cascades in the ordered intermetallic compound CuTi have been investigated by molecular dynamics simulations in conjunction with recently-developed embedded-atom potentials. Various aspects of the time evolution of cascades produced by Cu and Ti primary knock-on atoms have been considered, including the dynamics of Frenkel-pair production, generation of ‘pure’ replacements and anti-site defects, and the anisotropy of the threshold energy for displacement. The spatial distributions of Frenkel defects and the damage function have been analyzed, based on information obtained from various simulated events corresponding to different recoil directions.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 235: Symposium A – Phase Formation and Modification by Beam-Solid Interactions , 1991 , 533
Copyright
Copyright © Materials Research Society 1992

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References

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