Computational materials discovery: The case of the W-B system

Acta Crystallographica Section C: Structural Chemistry

Volumn 70, Issue 2, 2014, Pages 85-103

  Cheng, Xi Yue ^a   Chen, Xing Qiu ^a   Li, Dian Zhong ^a   Li, Yi Yi ^a  

^a INSTITUTE OF METAL RESEARCH   (China)

Author keywords

computational materials discovery; crystal structure; density functional theory; mechanical properties; phase stabilities; tungsten borides; variable compositional evolutionary search

Indexed keywords

BORIDES; CALCULATIONS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; EVOLUTIONARY ALGORITHMS; MECHANICAL PROPERTIES; PHASE STABILITY;

COMPUTATIONAL MATERIALS; ELASTIC PROPERTIES; EVOLUTIONARY SEARCH; FIRST-PRINCIPLES CALCULATION; STATE OF RESEARCH; SUPERHARD; TUNGSTEN BORIDES; YOUNG'S MODULUS;

TUNGSTEN COMPOUNDS;

EID: 84901496533     PISSN: None     EISSN: 20532296     Source Type: Journal    
DOI: 10.1107/S2053229613027551     Document Type: Article

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