Multiscale ab initio simulation of Ni-based alloys: Real-space distribution of atoms in γ + γ ′ phase

Published 2015 View Full Article

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Title
Multiscale ab initio simulation of Ni-based alloys: Real-space distribution of atoms in γ + γ ′ phase
Authors
Keywords
Cluster expansion, Density functional theory, Monte Carlo simulation, Microstructure, Ni-alloys, Large-scale simulation
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 108, Issue -, Pages 192-204
Publisher
Elsevier BV
Online
2015-07-15
DOI
10.1016/j.commatsci.2015.06.029

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