First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al–TM (TM=Ti, Zr and Hf) systems: A comparison of cluster expansion and supercell methods

Title
First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al–TM (TM=Ti, Zr and Hf) systems: A comparison of cluster expansion and supercell methods
Authors
Keywords
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Journal
ACTA MATERIALIA
Volume 56, Issue 13, Pages 3202-3221
Publisher
Elsevier BV
Online
2008-04-08
DOI
10.1016/j.actamat.2008.03.006

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