Efficient stochastic generation of special quasirandom structures

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 42, Issue , 2013, Pages 13-18

  Van De Walle, A ^a   Tiwary, P ^a   De Jong, M ^b   Olmsted, D L ^b   Asta, M ^b   Dick, A ^c   Shin, D ^d   Wang, Y ^e   Chen, L Q ^e   Liu, Z K ^e  

^a BROWN UNIVERSITY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c Belarusian Institute of System Analysis   (Belarus)

^d OAK RIDGE NATIONAL LABORATORY   (United States)

^e PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

Ab initio methods; Alloy theory; Carlo; Disordered state; Monte; Solid solution; Special quasirandom structures

Indexed keywords

AB INITIO METHOD; CARLO; DISORDERED STATE; MONTE; SPECIAL QUASI-RANDOM STRUCTURES;

APPROXIMATION ALGORITHMS; ATOMS; SIMULATED ANNEALING; SOLID SOLUTIONS;

MONTE CARLO METHODS;

EID: 84881182494     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2013.06.006     Document Type: Article

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