Int. J. Mol. Sci. 2009, 10(6), 2798-2808; doi:10.3390/ijms10062798

Lattice Strain Due to an Atomic Vacancy

1,* email, 2email, 1email, 2email and 2email
Received: 15 April 2009; in revised form: 29 May 2009 / Accepted: 15 June 2009 / Published: 19 June 2009
(This article belongs to the Special Issue Composite Materials)
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Abstract: Volumetric strain can be divided into two parts: strain due to bond distance change and strain due to vacancy sources and sinks. In this paper, efforts are focused on studying the atomic lattice strain due to a vacancy in an FCC metal lattice with molecular dynamics simulation (MDS). The result has been compared with that from a continuum mechanics method. It is shown that using a continuum mechanics approach yields constitutive results similar to the ones obtained based purely on molecular dynamics considerations.
Keywords: lattice strain; virial stress; vacancy transport; electromigration; thermomigration; embedded-atom method; molecular dynamic simulations
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MDPI and ACS Style

Li, S.; Sellers, M.S.; Basaran, C.; Schultz, A.J.; Kofke, D.A. Lattice Strain Due to an Atomic Vacancy. Int. J. Mol. Sci. 2009, 10, 2798-2808.

AMA Style

Li S, Sellers MS, Basaran C, Schultz AJ, Kofke DA. Lattice Strain Due to an Atomic Vacancy. International Journal of Molecular Sciences. 2009; 10(6):2798-2808.

Chicago/Turabian Style

Li, Shidong; Sellers, Michael S.; Basaran, Cemal; Schultz, Andrew J.; Kofke, David A. 2009. "Lattice Strain Due to an Atomic Vacancy." Int. J. Mol. Sci. 10, no. 6: 2798-2808.

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