Thermodynamic properties of cubic ZrC under high pressure from first-principles calculations

Science in China, Series G: Physics, Mechanics and Astronomy

Volumn 52, Issue 7, 2009, Pages 1039-1042

  Zhu, Jun ^a   Zhu, Bo ^a,b   Qu, Jianying ^a   Gou, Qingquan ^a   Chen, Fang ^a  

^a SICHUAN UNIVERSITY   (China)

^b SOUTHWEST JIAOTONG UNIVERSITY   (China)

Author keywords

Elastic properties; Thermodynamic properties; ZrC

Indexed keywords

AB INITIO; BULK MODULUS; DENSITY FUNCTION THEORY; ELASTIC PROPERTIES; FIRST-PRINCIPLES CALCULATION; HIGH PRESSURE; PLANE WAVE; PSEUDOPOTENTIAL; QUASI-HARMONIC DEBYE MODEL; ZIRCONIUM CARBIDE; ZRC;

CARBIDES; ELASTIC CONSTANTS; ELASTIC MODULI; ELASTICITY; PRESSURE EFFECTS; THERMAL STRESS; THERMODYNAMICS; ZIRCONIUM; ZIRCONIUM COMPOUNDS;

THERMAL EXPANSION;

EID: 67149120637     PISSN: 16721799     EISSN: 18622844     Source Type: Journal    
DOI: 10.1007/s11433-009-0143-9     Document Type: Article

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