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Atomistic Studies of Plasticity in Nanophase Metals

Published online by Cambridge University Press:  14 March 2011

H. Van Swygenhoven ,
P. Derlet ,
A. Caro ,
D. Farkas ,
M. Caturla  and
T. Díaz de la Rubia
H. Van Swygenhoven
Affiliation:
Paul Scherrer Institute, CH-5232 Villigen-PSI, Switzerland
P. Derlet
Affiliation:
Paul Scherrer Institute, CH-5232 Villigen-PSI, Switzerland
A. Caro
Affiliation:
Centro Atmico Bariloche, 8400 Bariloche, Argentina
D. Farkas
Affiliation:
Dept. of MS & E, Virginia Polytechnic Inst. & State Univ. Blacksburg, VA
M. Caturla
Affiliation:
Lawrence Livermore National Laboratory, Livermore, CA
T. Díaz de la Rubia
Affiliation:
Lawrence Livermore National Laboratory, Livermore, CA
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Abstract

Molecular dynamics computer simulation of nanocrystalline Ni and Cu with mean grain sizes ranging from 5 to 20 nm show that grain boundaries in nanocrystalline metals have structures similar to most grain boundaries found in conventional polycrystalline materials. Moreover, the excess enthalpy density in grain boundaries and triple junctions appears to be independent of grain in both, computer generated and experimental measured samples. Simulations of deformation under constant uniaxial stress demonstrate a change in deformation mechanism as function of grain size: at the smallest grain sizes all deformation is accommodated in the grain boundaries, at higher grain sizes, intragrain deformation is observed

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 634: Symposium B – Structure and Mechanical Properties of Nanophase Materials-Theory & Computer Simulations vs. Experiment , 2000 , B5.5.1
Copyright
Copyright © Materials Research Society 2001

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