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 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.
Li
Shidong
S
Electronic Packaging Laboratory, University at Buffalo, The State University of New York 14260-4300, USA.
Sellers
Michael S
MS
Department of Chemical Engineering, University at Buffalo, The State University of New York, USA.
Basaran
Cemal
C
Electronic Packaging Laboratory, University at Buffalo, The State University of New York 14260-4300, USA.
Schultz
Andrew J
AJ
Department of Chemical Engineering, University at Buffalo, The State University of New York, USA.
Kofke
David A
DA
Department of Chemical Engineering, University at Buffalo, The State University of New York, USA.
D000535:Aluminum / Q000737:chemistry; D008670:Metals / Q000737:chemistry*; D056004:Molecular Dynamics Simulation
D008670:Metals; D000535:Aluminum