Prediction of thermodynamic properties of solute elements in Si solutions using first-principles calculations

Acta Materialia

Volumn 51, Issue 2, 2003, Pages 551-559

  Iwata, K ^a   Matsumiya, T ^a   Sawada, H ^a   Kawakami, K ^a  

^a NIPPON STEEL CORPORATION   (Japan)

Author keywords

Computer simulation; Liquids; Silicon; Thermodynamics

Indexed keywords

ACTIVITY COEFFICIENTS; CALCULATIONS; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; LEAD; LIQUIDS; THERMODYNAMIC PROPERTIES; THERMODYNAMICS;

EXCESS ENTROPY; EXPERIMENTAL VALUES; FIRST-PRINCIPLES CALCULATION; INTERACTION PARAMETERS; PARTITION COEFFICIENT; PREDICTION OF THERMODYNAMIC PROPERTIES; REGULAR SOLUTION MODEL; SOLUTE ELEMENTS;

SILICON;

EID: 33749535208     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1359-6454(02)00437-8     Document Type: Article

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