# Measuring kinetic coefficients by molecular dynamics simulation of zone melting

Source: [Measuring kinetic coefficients by molecular dynamics simulation of zone melting](<https://www.sota2.com/research/paper/68fa25ac2c2a3760193b2aea>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2025-10-24T10:53:25.022Z

Authors: F. Celestini, J. M. Debierre

Published: 2002-01-21T15:50:07.000Z

## 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.

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## Original sources and implementation

[Original paper](<https://arxiv.org/abs/cond-mat/0201371>)

[PDF](<https://arxiv.org/pdf/cond-mat/0201371.pdf>)