First-principles study of binary special quasirandom structures for the Al-Cu, Al-Si, Cu-Si, and Mg-Si systems

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 33, Issue 4, 2009, Pages 769-773

  Wang, Aijun ^a   Zhou, Liangcai ^a   Kong, Yi ^a   Du, Yong ^a   Liu, Zi Kui ^b   Shang, Shun Li ^b   Ouyang, Yifang ^c   Wang, Jiong ^a   Zhang, Lijun ^a   Wang, Jianchuan ^a  

^a CENTRAL SOUTH UNIVERSITY   (China)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

^c GUANGXI UNIVERSITY   (China)

Author keywords

Al Cu, Al Si, Cu Si, Mg Si; Enthalpy of mixing; First principles; Special quasirandom structures

Indexed keywords

BINARY SOLIDS; BINARY SYSTEMS; CHARGE DENSITY DISTRIBUTIONS; ENTHALPY OF MIXING; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; MIXING BEHAVIORS; MOLE FRACTION; SPECIAL QUASIRANDOM STRUCTURES; THERMODYNAMIC MODELING; THERMODYNAMIC QUALITY;

ALUMINUM; CRYSTALLIZATION; ENTHALPY; METASTABLE PHASES; MIXING; SILICON; SOLID SOLUTIONS; SOLIDIFICATION; THERMODYNAMICS;

CRYSTAL ATOMIC STRUCTURE;

EID: 74249117825     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2009.10.007     Document Type: Article

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