Atomic simulation of amorphisation and crystallisation of Al 50 Ni 50 during rapid solidification

Abstract

A constant temperature, constant pressure, molecular dynamics simulation technique, based on the embedded atom method, has been carried out in order to study the structural features of Al₅₀Ni₅₀ in the liquid, supercooled, and glass states during rapid solidification. The pair correlation function g(r) of Al₅₀Ni₅₀ and the thermodynamic process were studied to reveal the structural evolution. The glass transition temperature was determined and, in addition, the mean square displacement and snapshots of the particles during crystallisation have been described.

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