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

  • H. Zhu (a1), N. Q. Lam (a1), R. Devanathan (a1) and M. J. Sabochick (a2)

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.

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

  • H. Zhu (a1), N. Q. Lam (a1), R. Devanathan (a1) and M. J. Sabochick (a2)

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