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Atomistic Analysis of Crystal Plasticity in Copper Nanowire

Published online by Cambridge University Press:  01 February 2011

R. S. McEntire  and
Y.-L. Shen
R. S. McEntire
Affiliation:
rmcenti@sandia.gov, University of New Mexico, Dept of Mechanical Engineering, Albuquerque, NM, 87131, United States
Y.-L. Shen
Affiliation:
shenyl@me.unm.edu, University of New Mexico, Dept of Mechanical Engineering, Albuquerque, NM, 87131, United States
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Abstract

Plastic deformation in a model copper wire under tensile loading is modeled using three dimensional atomistic simulations. The primary objective is to gain fundamental insight into the nano-scale deformation features. An initial defect is utilized in the model to trigger plastic deformation in a controlled manner. A parametric study is performed by varying the atomic interaction range used in the model. When the interaction distance is small, dislocation slip is observed to be the dominant deformation mechanism. A slight increase in the interaction range results in phase transition from the FCC structure to a BCC structure. Re-orientation of the BCC lattice also occurs at later stages of the deformation. The phase transition mechanism is further enhanced if the nanowire is attached to a flat substrate.

Keywords

simulationnanoscaleCu
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 924: Symposium Z – Mechanics of Nanoscale Materials and Devices , 2006 , 0924-Z02-04
Copyright
Copyright © Materials Research Society 2006

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