Thermal expansion and recrystallization of amorphous Al and Ti: A molecular dynamics study
- Creators
- Chu, John J.
- Steeves, Craig A.
Abstract
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.
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.Additional details
- Eprint ID
- 65048
- Resolver ID
- CaltechAUTHORS:20160303-152918216
- Keck Institute for Space Studies (KISS)
- Canada Foundation for Innovation
- Ontario Research Fund-Research Excellence
- University of Toronto
- Created
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2016-03-04Created from EPrint's datestamp field
- Updated
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2022-10-04Created from EPrint's last_modified field
- Caltech groups
- Keck Institute for Space Studies