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Dislocation Generation and Crack Propagation in Metals Examined in Molecular Dynamics Simulations

Published online by Cambridge University Press:  26 February 2011

J. A. Rifkin ,
C. S. Becquart ,
D. Kim  and
P. C. Clapp
J. A. Rifkin
Affiliation:
Center for Materials Simulation, University of Connecticut, Storrs, CT 06269-3136
C. S. Becquart
Affiliation:
Center for Materials Simulation, University of Connecticut, Storrs, CT 06269-3136
D. Kim
Affiliation:
Center for Materials Simulation, University of Connecticut, Storrs, CT 06269-3136
P. C. Clapp
Affiliation:
Center for Materials Simulation, University of Connecticut, Storrs, CT 06269-3136
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Abstract

We have carried out a series of atomistic simulations on arrays of about 10,000 atoms containing an atomically sharp crack and subjected to increasing stress levels. The ordered stoichiometric alloys B2 NiAl, B2 RuAl and A15 Nb3AI have been studied at different temperatures and stress levels, as well as the elements Al, Ni, Nb and Ru. The many body interactions used in the simulations were derived semi-empirically, using techniques related to the Embedded Atom Method. Trends in dislocation generation rates and crack propagation modes will be discussed and compared to experimental indications where possible, and some of the simulations will be demonstrated in the form of computer movies.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 278: Symposium W – Computational Methods in Materials Science , 1992 , 173
Copyright
Copyright © Materials Research Society 1992

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