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Molecular-Dynamics Study of the Amorphizatton of CuTi*

Published online by Cambridge University Press:  25 February 2011

Michael J. Sabochick  and
Nghi Q. Lam
Michael J. Sabochick
Affiliation:
Department of Engineering Physics, Air Force Institute of Technology, Wright-Patterson AFB, OH 45433
Nghi Q. Lam
Affiliation:
Materials Science Division, Argonne National Laboratory, Argonne, IL 60439
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Abstract

Radiation-induced amorphization of the crystalline compound CuTi was investigated by molecular-dynamics simulations using new interatomic potentials derived from the embedded-atom method. Two different approaches to amorphization were tried: one in which Cu and Ti atoms were randomly exchanged, and another in which Frenkel pairs were introduced at random. The potential energy, volume expansion and pair-correlation function were calculated as functions of chemical disorder and atomic displacements. The results indicate that, although both chemical disordering and point-defect introduction increase the system energy and volume, the presence of Frenkel pairs is essential to trigger the crystalline-to-amorphous transition.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 157: Symposium A – Beam-Solid Interactions: Physical Phenomena , 1989 , 265
Copyright
Copyright © Materials Research Society 1990

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Footnotes

*

Work supported by the Air Force Institute of Technology and the U.S. Department of Energy, BES-Materials Sciences, under Contract W-31-109-Eng-38.

References

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