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Molecular-Dynamics Study of the Amorphizatton of CuTi*
Published online by Cambridge University Press: 25 February 2011
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.
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- Copyright © Materials Research Society 1990
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.