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Solute Trapping at a Rapidly Moving Solid/Liquid Interface for a Lennard-Jones Alloy

Published online by Cambridge University Press:  25 February 2011

Stephen J. Cook  and
Paulette Clancy
Stephen J. Cook
Affiliation:
School of Chemical Engineering, Cornell University, Ithaca, NY 14853
Paulette Clancy
Affiliation:
School of Chemical Engineering, Cornell University, Ithaca, NY 14853
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Abstract

Non-equilibrium Molecular Dynamics simulation methods have been used to study the trapping of “impurities” in an Ag5B15 Lennard-Jones alloy where the B atoms are 10% bigger in diameter than A. The observation of surface melting in this system is used to calculate an equilibrium interfacial segregation coefficient. Simulations of rapid melting and resolidification were performed for the (100) and (111) orientations at two different substrate temperatures (0.65 Tm and 0.95 Tm) for each orientation. Solute impurity atoms are shown to have been trapped at greater concentrations in the solid than under equilibrium conditions. Partitionless solidification is observed when the regrowth velocity greatly exceeds the diffusive velocity.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 157: Symposium A – Beam-Solid Interactions: Physical Phenomena , 1989 , 253
Copyright
Copyright © Materials Research Society 1990

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References

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