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MD Simulation of Dislocation Dynamics in Copper Nanoparticles

Published online by Cambridge University Press:  31 January 2011

Yoshiaki Kogure ,
Toshio Kogugi ,
Tadatoshi Nozaki  and
Masao Doyama
Yoshiaki Kogure
Affiliation:
kogure@ntu.ac.jp
Toshio Kogugi
Affiliation:
kosugi@ntu.ac.jp, Teikyo University of Science and Technology, Physical Therapy, Uenohara, Yamanashi, Japan
Tadatoshi Nozaki
Affiliation:
Nozaki@ntu.ac.jp, Teikyo University of Science and Technology, Environmental Materials, Uenohara, Yamanashi, Japan
Masao Doyama
Affiliation:
doyama@ntu.ac.jp, Teikyo University of Science and Technology, Environmental Materials, Uenohara, Yamanashi, Japan
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Abstract

Atomistic configuration and motion of dislocation have been simulated by means of molecular dynamics method. The embedded atom method potential for copper is adopted in the simulation. Model crystal is a rectangular solid containing about 140,000 atoms. An edge dislocation is introduced along [112] direction near the center of model crystal, and the system is relaxed. After the dislocation configuration is stabilized, a shear stress is applied and released. Wavy motion of dislocation is developed on the Peierls valleys when the free boundary condition is adopted. Motion of pinned dislocation is also simulated.

Keywords

dislocationssimulationmetal
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1224: Symposia FF/GG – Mechanical Behavior at Small Scales — Experiments and Modeling , 2009 , 1224-GG05-15
Copyright
Copyright © Materials Research Society 2010

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