Automating impurity-enhanced antiphase boundary energy calculations from ab initio Monte Carlo

Published 2016 View Full Article

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Title
Automating impurity-enhanced antiphase boundary energy calculations from ab initio Monte Carlo
Authors
Keywords
Antiphase boundary, Cluster expansion, Monte Carlo, Ab initio calculation
Journal
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY
Volume 53, Issue -, Pages 20-24
Publisher
Elsevier BV
Online
2016-03-03
DOI
10.1016/j.calphad.2016.02.005

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