Measuring kinetic coefficients by molecular dynamics simulation of zone melting
Abstract
Molecular dynamics simulations are performed to measure the kinetic coefficient at the solid-liquid interface in pure gold. Results are obtained for the (111), (100) and (110) orientations. Both Au(100) and Au(110) are in reasonable agreement with the law proposed for collision-limited growth. For Au(111), stacking fault domains form, as first reported by Burke, Broughton and Gilmer [J. Chem. Phys. {\bf 89}, 1030 (1988)]. The consequence on the kinetics of this interface is dramatic: the measured kinetic coefficient is three times smaller than that predicted by collision-limited growth. Finally, crystallization and melting are found to be always asymmetrical but here again the effect is much more pronounced for the (111) orientation.
Keywords
Cite
@article{arxiv.cond-mat/0201371,
title = {Measuring kinetic coefficients by molecular dynamics simulation of zone melting},
author = {F. Celestini and J. M. Debierre},
journal= {arXiv preprint arXiv:cond-mat/0201371},
year = {2009}
}
Comments
8 pages, 9 figures (for fig. 8 : [email protected]). Accepted for publication in Phys. Rev. E