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Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys.

Authors :
Sadigh, Babak
Erhart, Paul
Stukowski, Alexander
Caro, Alfredo
Martinez, Enrique
Zepeda-Ruiz, Luis
Source :
Physical Review B: Condensed Matter & Materials Physics. May2012, Vol. 85 Issue 18, p1-11. 11p.
Publication Year :
2012

Abstract

The article presents information on the requirement of the Monte Carlo algorithm for the purpose of studying the atomistic simulations of the precipitation in the alloys. The transmutation of the simulations of the multicomponent systems is allowed by the semi-grand-canonical ensemble. Information on the study of the precipitation of copper in the nanocrystalline iron through the algorithm is also presented.

Details

Language :
English
ISSN :
10980121
Volume :
85
Issue :
18
Database :
Academic Search Index
Journal :
Physical Review B: Condensed Matter & Materials Physics
Publication Type :
Academic Journal
Accession number :
77635288
Full Text :
https://doi.org/10.1103/PhysRevB.85.184203