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