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Non-Equilibrium Molecular Dynamics Simulation of the Rapid Solidification of Metals

Published online by Cambridge University Press:  25 February 2011

Cliff F. Richardson  and
Paulette Clancy
Cliff F. Richardson
Affiliation:
School of Chemical Engineering, Cornell University, Ithaca, NY 14853, USA
Paulette Clancy
Affiliation:
School of Chemical Engineering, Cornell University, Ithaca, NY 14853, USA
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Abstract

The ultra-rapid melting and subsequent resolidification of Embedded Atom Method models of the fcc metals copper and gold are followed using a Non-Equilibrium Molecular Dynamics computer simulation method. Results for the resolidification of an exposed (100) face of copper at room temperature are in good agreement with recent experiments using a picosecond laser. At T = 0.5 Tm, the morphology of the solid/liquid interface is shown to be similar to a Lennard-Jones model. The morphology of the crystal-vapor interface at 92% of Tm shows a significant disordering of the topmost layers. Difficulties with the EAM model for gold are observed. Comparison of the Baskes et al. and Oh and Johnson embedding functions are discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 159: Symposium C – Atomic Scale Structure of Interfaces , 1989 , 331
Copyright
Copyright © Materials Research Society 1990

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References

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