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Start Over Author "Zepeda-Ruiz, Luis" Journal physical review b: condensed matter & materials physics
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1. Scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys.

Author

Sadigh, Babak, Erhart, Paul, Stukowski, Alexander, Caro, Alfredo, Martinez, Enrique, and Zepeda-Ruiz, Luis

Subjects
*MONTE Carlo method, *ALGORITHMS, *PRECIPITATION (Chemistry), *TRANSMUTATION (Chemistry), *NANOCRYSTALS, *COPPER, *IRON
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.

Published
2012
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