Elastic and thermodynamic properties of TiC from first-principles calculations

Science China: Physics, Mechanics and Astronomy

Volumn 54, Issue 12, 2011, Pages 2196-2201

  Li, Yanhong ^a   Wang, Wanfeng ^a   Zhu, Bo ^a   Xu, Ming ^a   Zhu, Jun ^a   Hao, Yanjun ^a   Li, Weihu ^a   Long, Xiaojiang ^a  

^a SICHUAN UNIVERSITY   (China)

Author keywords

elastic constants; thermodynamic properties; TiC

Indexed keywords

EXPERIMENTAL DATA; FIRST-PRINCIPLES CALCULATION; HIGH TEMPERATURE AND HIGH PRESSURE; HIGHER TEMPERATURES; LOW PRESSURES; LOW TEMPERATURES; PRESSURE AND TEMPERATURE; PSEUDOPOTENTIAL PLANE-WAVE METHOD; QUASI-HARMONIC DEBYE MODEL; ROCK-SALT STRUCTURE; THEORETICAL RESULT; THERMAL EXPANSION COEFFICIENTS; TIC;

CALCULATIONS; DEBYE TEMPERATURE; ELASTIC CONSTANTS; ELASTIC MODULI; LATTICE CONSTANTS; THERMAL EXPANSION; THERMODYNAMIC PROPERTIES; THERMODYNAMICS; TITANIUM; TITANIUM CARBIDE;

TEMPERATURE;

EID: 82355190164     PISSN: 16747348     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11433-011-4500-0     Document Type: Article

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