Thermal expansion and recrystallization of amorphous Al and Ti: A molecular dynamics study
JJ Chu and CA Steeves, JOURNAL OF NON-CRYSTALLINE SOLIDS, 357, 3765-3773 (2011).
In this study, the thermal expansion and recrystallization behavior of amorphous Al and Ti are investigated using molecular dynamics simulations. Amorphous phases are obtained via rapid quenching from a liquid state and are subsequently heated at a rate of 1 K/ps. Using the change in simulation size over the course of heating, the thermal expansion coefficients of amorphous Al and Ti are calculated and compared to their crystalline counterparts. From a similar set of simulations, the recrystallization temperatures of Al and Ti are determined by analyzing their potential energy profiles. In addition, the change in volume as a result of the phase transition is quantified by comparing the atomic volumes of Al and Ti in both their amorphous and crystalline states. (C) 2011 Elsevier B.V. All rights reserved.
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