@inproceedings{b5f8ddda809e4b8798498a5ed7648589,
title = "Molecular dynamic simulations of an atomic vacancy in FCC metal",
abstract = "Atomic lattice strain is an essential part of any vacancy generation, annihilation and atomic mass transport computation. In the literature, there is no consensus on what this value is or how it should be obtained. In this paper, atomic lattice strain due to a vacancy in an FCC metal lattice is obtained by two different methods and compared with other commonly used values reported in the literature. It is shown that using a continuum mechanics approach in conjunction with molecular dynamic simulations yields results similar to the ones obtained by purely based on molecular dynamics considerations.",
keywords = "Electromigration, Embedded-atom method, Lattice strain, Molecular dynamics, Thermomigration, Vacancy transport, Virial stress",
author = "Sellers, \{Michael S.\} and Shidong Li and Cemal Basaran and Kofke, \{David A.\}",
year = "2008",
language = "English",
isbn = "9781622763603",
series = "Grand Challenges in Modeling and Simulation Symposium 2008, GCMS 2008, Part of the 2008 Summer Simulation Multiconference, SummerSim 2008",
pages = "159--164",
booktitle = "Grand Challenges in Modeling and Simulation Symposium 2008, GCMS 2008, Part of the 2008 Summer Simulation Multiconference, SummerSim 2008",
note = "Grand Challenges in Modeling and Simulation Symposium 2008, GCMS 2008, Part of the 2008 Summer Simulation Multiconference, SummerSim 2008 ; Conference date: 16-06-2008 Through 19-06-2008",
}