Multimillion atom simulation of materials on parallel computers - nanopixel, interfacial fracture, nanoindentation, and oxidation

Authors
Vashishta, P Bachlechner, M Nakano, A Campbell, TJ Kalia, RK Kodiyalam, S Ogata, S Shimojo, F Walsh, P
Citation
P. Vashishta et al., Multimillion atom simulation of materials on parallel computers - nanopixel, interfacial fracture, nanoindentation, and oxidation, APPL SURF S, 182(3-4), 2001, pp. 258-264
Citations number
18
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science","Material Science & Engineering
Journal title
APPLIED SURFACE SCIENCE
ISSN journal
01694332 → ACNP
Volume
182
Issue
3-4
Year of publication
2001
Pages
258 - 264
Database
ISI
SICI code
0169-4332(20011022)182:3-4<258:MASOMO>2.0.ZU;2-U
Abstract
We have developed scalable space-time multiresolution algorithms to enable molecular dynamics simulations involving up to a billion atoms on massively parallel computers. Large-scale molecular dynamics simulations have been u sed to study stress domains and interfacial fracture in semiconductor/diele ctric nanopixels, nanoindentation, and oxidation of metallic nanoparticles. (C) 2001 Elsevier Science B.V. All rights reserved.