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Thermal expansion and recrystallization of amorphous Al and Ti: A molecular dynamics study

Chu, John J. and Steeves, Craig A. (2011) Thermal expansion and recrystallization of amorphous Al and Ti: A molecular dynamics study. Journal of Non-Crystalline Solids, 357 (22-23). pp. 3765-3773. ISSN 0022-3093. doi:10.1016/j.jnoncrysol.2011.07.019.

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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.

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Additional Information:Copyright © 2016 Elsevier B.V. Funding for this research has been provided by the Keck Institute for Space Studies. Computations were performed on the GPC supercomputer at the SciNet HPC Consortium. SciNet is funded by: the Canada Foundation for Innovation under the auspices of Compute Canada; the Government of Ontario; Ontario Research Fund — Research Excellence; and the University of Toronto.
Group:Keck Institute for Space Studies
Funding AgencyGrant Number
Keck Institute for Space Studies (KISS)UNSPECIFIED
Canada Foundation for InnovationUNSPECIFIED
Ontario Research Fund-Research ExcellenceUNSPECIFIED
University of TorontoUNSPECIFIED
Issue or Number:22-23
Record Number:CaltechAUTHORS:20160303-152918216
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Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:65048
Deposited By: Colette Connor
Deposited On:04 Mar 2016 21:51
Last Modified:04 Oct 2022 15:15

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