Ab initio study of the effect of Zr content on elastic and electronic properties of L1 2-Al 3(Sc 1-xZr x) alloys

Computational Materials Science

Volumn 59, Issue , 2012, Pages 87-93

  Wang, Ren Nian ^a   Tang, Bi Yu ^a,b   Peng, Li Ming ^c   Ding, Wen Jing ^c  

^a GUANGXI UNIVERSITY   (China)

^b XIANGTAN UNIVERSITY   (China)

^c Shanghai Jiao Tong University   (China)

Author keywords

Ab initio calculation; Elastic properties; Electronic structures; Special quasi random structure; Stability

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO STUDY; CAUCHY PRESSURE; ELASTIC PROPERTIES; FIRST-PRINCIPLES CALCULATION; PRINCIPLE AXES; QUASI-RANDOM; YOUNG'S MODULUS;

ALUMINUM; CALCULATIONS; CERIUM ALLOYS; CONVERGENCE OF NUMERICAL METHODS; ELASTIC MODULI; ELASTICITY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; SCANDIUM; TRANSITION METALS;

ZIRCONIUM;

EID: 84862788540     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2012.02.034     Document Type: Article

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