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The Solid-Liquid Interface: Theory and Computer Simulations

Published online by Cambridge University Press:  25 February 2011

B. B. Laird  and
A. D. J. Haymet
B. B. Laird
Affiliation:
Department of Chemistry, University of California Berkeley, California 94720, U.S.A.
A. D. J. Haymet
Affiliation:
Department of Chemistry, University of California Berkeley, California 94720, U.S.A.
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Abstract

We present the results of computer simulations of body centered cubic (bcc)/melt interfaces, with particular emphasis on the “width” of the interface. Both static and dynamic properties of single crystal/liquid interfaces are examined. The implications for crystal growth near equilibrium are discussed. The results of these computer “experiments” are compared with an extended density functional theory of the solid-liquid interface.

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References

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