A molecular dynamics study of the melting of a three-dimensional crystal

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Abstract

The motions of individual atoms in a melting three-dimensional fcc Lennard-Jones model crystal have been studied by molecular dynamics. The melting transition is associated with the spontaneous generation of Shockley partial dislocation loops on the close-packed planes. © 1973.

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Cotterill, R. M. J., Jensen, E. J., & Kristensen, W. D. (1973). A molecular dynamics study of the melting of a three-dimensional crystal. Physics Letters A, 44(2), 127–128. https://doi.org/10.1016/0375-9601(73)90816-5

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