Ab initio calculations of mechanical and thermodynamic properties for the B2-based AlRE

Computational Materials Science

Volumn 40, Issue 2, 2007, Pages 226-233

  Tao, Xiaoma ^a   Ouyang, Yifang ^b   Liu, Huashan ^a   Zeng, Fanjiang ^b   Feng, Yuanping ^c   Jin, Zhanpeng ^a  

^a CENTRAL SOUTH UNIVERSITY   (China)

^b GUANGXI UNIVERSITY   (China)

^c NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Ab initio; AlRE; B2 structure; Elastic constants; Formation enthalpy

Indexed keywords

BULK PROPERTIES; FORMATION ENTHALPY; GENERALIZED GRADIENT APPROXIMATION (GGA); PROJECTOR AUGMENTED WAVES (PAW);

ELASTIC CONSTANTS; ELASTIC MODULI; ENTHALPY; GRADIENT METHODS; LATTICE CONSTANTS; POISSON RATIO;

ALUMINUM ALLOYS;

EID: 34447302558     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2006.12.001     Document Type: Article

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