Next Article in Journal
Calculation of the Aqueous Thermodynamic Properties of Citric Acid Cycle Intermediates and Precursors and the Estimation of High Temperature and Pressure Equation of State Parameters
Next Article in Special Issue
Effect of Interface Structure on Mechanical Properties of Advanced Composite Materials
Previous Article in Journal
Termite Resistance of MDF Panels Treated with Various Boron Compounds
Int. J. Mol. Sci. 2009, 10(6), 2798-2808; doi:10.3390/ijms10062798
Article

Lattice Strain Due to an Atomic Vacancy

1,* , 2
, 1
, 2
 and 2
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)
View Full-Text   |   Download PDF [254 KB, uploaded 19 June 2014]   |   Browse Figures
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 lattice strain; virial stress; vacancy transport; electromigration; thermomigration; embedded-atom method; molecular dynamic simulations
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.

Export to BibTeX |
EndNote


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.


Int. J. Mol. Sci. EISSN 1422-0067 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert