Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 40, Issue 1, Pages 51-56Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.commatsci.2006.10.022
Keywords
molecular dynamics; single crystal Cu plate; effective elastic modulus; atomic stress concentration factor
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Molecular dynamics method is employed to simulate unilateral extension processes of a single crystal nano-plate with a void in this paper, and our investigation emphases are placed on the influences of structural parameters of a void and its neighbouring atom distribution on the effective elastic modulus and atomic stress concentration. It is shown from the obtained results that the modulus linearly depends on the void volume fraction for a round void but nonlinearly varies with the void shape ratio for a fixed volume; and that the atomic stress concentration factor is mainly related to atom distributions near voids although it also depends on void structural parameters. (c) 2006 Elsevier B.V. All rights reserved.
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