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Article

Lattice Strain Due to an Atomic Vacancy

1
Electronic Packaging Laboratory, University at Buffalo, The State University of New York 14260-4300, USA
2
Department of Chemical Engineering, University at Buffalo, The State University of New York, USA
*
Author to whom correspondence should be addressed.
Int. J. Mol. Sci. 2009, 10(6), 2798-2808; https://doi.org/10.3390/ijms10062798
Received: 15 April 2009 / Revised: 29 May 2009 / Accepted: 15 June 2009 / Published: 19 June 2009
(This article belongs to the Special Issue Composite Materials)
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. View Full-Text
Keywords: lattice strain; virial stress; vacancy transport; electromigration; thermomigration; embedded-atom method; molecular dynamic simulations 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. https://doi.org/10.3390/ijms10062798

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. https://doi.org/10.3390/ijms10062798

Chicago/Turabian Style

Li, Shidong, Michael S. Sellers, Cemal Basaran, Andrew J. Schultz, and David A. Kofke 2009. "Lattice Strain Due to an Atomic Vacancy" International Journal of Molecular Sciences 10, no. 6: 2798-2808. https://doi.org/10.3390/ijms10062798

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