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Lattice Strain Due to an Atomic Vacancy
Electronic Packaging Laboratory, University at Buffalo, The State University of New York 14260-4300, USA
Department of Chemical Engineering, University at Buffalo, The State University of New York, USA
* Author to whom correspondence should be addressed.
Received: 15 April 2009; in revised form: 29 May 2009 / Accepted: 15 June 2009 / Published: 19 June 2009
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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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.
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.
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.