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A Molecular Dynamics Study of Cu Segregation to the Σ11 Grain Boundary In Al

Published online by Cambridge University Press:  15 February 2011

Hanchen Huang ,
T. Diaz de la Rubia  and
M. J. Fluss
Hanchen Huang
Affiliation:
University of California, Lawrence Livermore National Laboratory, Livermore, CA 94550
T. Diaz de la Rubia
Affiliation:
University of California, Lawrence Livermore National Laboratory, Livermore, CA 94550
M. J. Fluss
Affiliation:
University of California, Lawrence Livermore National Laboratory, Livermore, CA 94550
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Abstract

We present results of molecular dynamics (MD) simulation studies of Cu segregation to the Σ11 grain boundary (GB) in Al. The simulations were performed with Embedded Atom Method (EAM) potentials for Al and Al-Cu. The results predict that copper atoms tend to order along either side of the interface even at the pure symmetrical GB, forming alternating chains along the direction. The nucleation of the chains is driven by a change in the local atomic level stress induced by the pre-existing Cu atoms at the GB.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 428: Symposium L – Materials Reliability in Microelectronics VI , 1996 , 177
Copyright
Copyright © Materials Research Society 1996

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