First-principles investigation on the elastic stability and thermodynamic properties of Ti 2SC

Chinese Physics B

Volumn 21, Issue 5, 2012, Pages

  Yang, Ze Jin ^a   Guo, Yun Dong ^b   Linghu, Rong Feng ^c   Cheng, Xin Lu ^d   Yang, Xiang Dong ^d  

^a ZHEJIANG UNIVERSITY OF TECHNOLOGY   (China)

^b NEIJIANG NORMAL UNIVERSITY   (China)

^c GUIZHOU EDUCATION UNIVERSITY   (China)

^d SICHUAN UNIVERSITY   (China)

Author keywords

elasticity; first principles; thermodynamic properties; Ti 2SC

Indexed keywords

AMBIENT CONDITIONS; APPLIED PRESSURE; DENSITY FUNCTIONAL THEORIES (DFT); ELASTIC PROPERTIES; ELASTIC STABILITY; FIRST-PRINCIPLES; FIRST-PRINCIPLES INVESTIGATIONS; GENERALIZED GRADIENT APPROXIMATIONS; HIGH TEMPERATURE AND HIGH PRESSURE; INTRA-ATOMIC; ISOTHERMAL AND ADIABATIC; PLANE WAVE; POISSON'S RATIO; PRESSURE DEPENDENCE; STRUCTURAL PARAMETER; TEMPERATURE DEPENDENCE; THERMAL EXPANSION COEFFICIENTS; TI ATOMS; ULTRASOFT PSEUDO POTENTIAL;

BRITTLENESS; DEBYE TEMPERATURE; DENSITY FUNCTIONAL THEORY; ELASTIC CONSTANTS; ELASTICITY; FRACTURE MECHANICS; PLASTICITY; PRESSURE EFFECTS; TEMPERATURE DISTRIBUTION; THERMODYNAMIC PROPERTIES;

CALCULATIONS;

EID: 84860807969     PISSN: 16741056     EISSN: None     Source Type: Journal    
DOI: 10.1088/1674-1056/21/5/056301     Document Type: Article

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