First principles studies on the structural, elastic, electronic properties and heats of formation of Mg-AE (AE = Ca, Sr, Ba) intermetallics

Intermetallics

Volumn 32, Issue , 2013, Pages 156-161

  Yang, Zhiwen ^a   Du, Jinglian ^b   Wen, Bin ^b   Hu, Chuanzheng ^a   Melnik, Roderick ^c,d  

^a Xuzhou Construction Machinery Research Institute   (China)

^b YANSHAN UNIVERSITY   (China)

^c WILFRID LAURIER UNIVERSITY   (Canada)

^d BASQUE FOUNDATION FOR SCIENCE   (Spain)

Author keywords

A. Intermetallics, miscellaneous; B. Brittleness and ductility; B. Thermodynamic and thermochemical properties; E. Ab initio calculations

Indexed keywords

BRITTLENESS AND DUCTILITY; DENSITIES OF STATE; E. AB-INITIO CALCULATIONS; ELASTIC PROPERTIES; ELECTRONEGATIVITY DIFFERENCE; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; HEATS OF FORMATION; INTERMETALLICS , MISCELLANEOUS; MECHANICALLY STABLE; THERMODYNAMIC AND THERMOCHEMICAL PROPERTIES;

CALCIUM; CHEMICAL BONDS; ELASTIC MODULI; ELECTRONEGATIVITY; ELECTRONIC DENSITY OF STATES; ELECTRONIC PROPERTIES; FRACTURE MECHANICS;

INTERMETALLICS;

EID: 84867068822     PISSN: 09669795     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.intermet.2012.09.002     Document Type: Article

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