Topologically close-packed phases in binary transition-metal compounds: Matching high-throughput ab initio calculations to an empirical structure map

New Journal of Physics

Volumn 15, Issue , 2013, Pages

  Hammerschmidt, T ^a,b   Bialon, A F ^a   Pettifor, D G ^b   Drautz, R ^a,b  

^a RUHR UNIVERSITY BOCHUM   (Germany)

^b UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; HEAT OF FORMATION; HIGH-THROUGHPUT; SINGLE CRYSTAL SUPERALLOYS; STRUCTURAL STABILITIES; TOPOLOGICALLY CLOSE-PACKED PHASIS; WYCKOFF POSITIONS;

POSITIVE IONS; TANTALUM; TOPOLOGY; TRANSMISSION CONTROL PROTOCOL;

STABILIZATION;

EID: 84889675539     PISSN: 13672630     EISSN: None     Source Type: Journal    
DOI: 10.1088/1367-2630/15/11/115016     Document Type: Article

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