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Type Jiang, C.; Gleeson, B.
  Publication Effects of Cr on the elastic properties of B2 NiAl: A first-principles study Volume Journal Article
Pages 2006
  Abstract Scripta Materialia  
  Corporate Author  
Publisher 55  
Editor 9
  Summary Language 759-762 Series Editor Chromium; Nickel aluminides; Point defects; First-principle electron theory  
Abbreviated Series Title We performed first-principles calculations based on the density functional theory to investigate the effects of Cr addition on the elastic properties of B2 NiAl. The Wagner-Schottky model was employed to correlate single-crystal elastic constants of ternary B2 NiAl-Cr alloys with point defect concentrations, in which the defect-formation parameters were obtained from first-principles supercell calculations. The present calculations clearly show that the effects of Cr addition on the elastic properties of B2 NiAl are strongly composition-dependent.
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no NU @ p-kolli @ 9710
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