Lattice Strain Due to an Atomic Vacancy

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...

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Detalles Bibliográficos
Autores principales: Li, Shidong, Sellers, Michael S., Basaran, Cemal, Schultz, Andrew J., Kofke, David A.
Formato: Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2009
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2705517/
https://www.ncbi.nlm.nih.gov/pubmed/19582230
http://dx.doi.org/10.3390/ijms10062798
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author Li, Shidong
Sellers, Michael S.
Basaran, Cemal
Schultz, Andrew J.
Kofke, David A.
author_facet Li, Shidong
Sellers, Michael S.
Basaran, Cemal
Schultz, Andrew J.
Kofke, David A.
author_sort Li, Shidong
collection PubMed
description 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.
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spelling pubmed-27055172009-07-06 Lattice Strain Due to an Atomic Vacancy Li, Shidong Sellers, Michael S. Basaran, Cemal Schultz, Andrew J. Kofke, David A. Int J Mol Sci Article 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. Molecular Diversity Preservation International (MDPI) 2009-06-19 /pmc/articles/PMC2705517/ /pubmed/19582230 http://dx.doi.org/10.3390/ijms10062798 Text en © 2009 by the authors; licensee Molecular Diversity Preservation International, Basel, Switzerland. http://creativecommons.org/licenses/by/3.0 This article is an open-access article distributed under the terms and conditions of the Creative Commons Attribution license (http://creativecommons.org/licenses/by/3.0/).
spellingShingle Article
Li, Shidong
Sellers, Michael S.
Basaran, Cemal
Schultz, Andrew J.
Kofke, David A.
Lattice Strain Due to an Atomic Vacancy
title Lattice Strain Due to an Atomic Vacancy
title_full Lattice Strain Due to an Atomic Vacancy
title_fullStr Lattice Strain Due to an Atomic Vacancy
title_full_unstemmed Lattice Strain Due to an Atomic Vacancy
title_short Lattice Strain Due to an Atomic Vacancy
title_sort lattice strain due to an atomic vacancy
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2705517/
https://www.ncbi.nlm.nih.gov/pubmed/19582230
http://dx.doi.org/10.3390/ijms10062798
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AT sellersmichaels latticestrainduetoanatomicvacancy
AT basarancemal latticestrainduetoanatomicvacancy
AT schultzandrewj latticestrainduetoanatomicvacancy
AT kofkedavida latticestrainduetoanatomicvacancy

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