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Simulation of Equilibrium Segregation in Alloys Using the Embedded Atom Method*

Published online by Cambridge University Press:  25 February 2011

Stephen M. Foiles
Stephen M. Foiles*
Affiliation:
Sandia National Laboratories, Livermore, CA 94550
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Abstract

The Embedded Atom Method (EAM) is combined with Monte Carlo simulation techniques to determine the equilibrium segregation at internal defects and surfaces. This approach has been applied in the Ni-Cu alloy system to the calculation of the surface composition profiles and the segregation at an edge dislocation. The surface composition profile of these alloys as a function of distance from the surface is found to vary non-monotonically with the top atomic layer strongly enriched in Cu and the near surface atomic layers enriched in Ni. The compositional variation in the core region of an edge dislocation shows enrichment of Ni in the compressed regions of the partial dislocation core and Cu enrichment in the expanded regions. In addition, the composition changes abruptly at the slip plane of the dislocation.

Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 63: Symposium R – Computer-Based Microscopic Description of the Structure and Properties of Materials , 1985 , 61
Copyright
Copyright © Materials Research Society 1986

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Footnotes

*

Work supported by the U. S. Department of Energy, Office of Basic Energy Sciences.

References

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