Modeling of skutterudite CoSb3 with molecular dynamics method

Computational Materials Science

Volumn 44, Issue 4, 2009, Pages 1390-1396

  Yang, Xuqiu ^a   Liu, Lisheng ^a   Zhai, Pengcheng ^a   Zhang, Qingjie ^a  

^a WUHAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Mechanical property; Molecular dynamics; Skutterudite CoSb3; Thermoelectric material

Indexed keywords

ATOMIC PHYSICS; COBALT; CRYSTAL ATOMIC STRUCTURE; CRYSTAL STRUCTURE; DEFORMATION; FRACTURE MECHANICS; MATERIALS; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; PROBABILITY DENSITY FUNCTION; SINGLE CRYSTALS; TENSILE STRENGTH; THERMOELECTRIC EQUIPMENT; THERMOELECTRICITY; VIBRATIONS (MECHANICAL);

DEFORMATION BEHAVIORS; ELASTIC PROPERTIES; ENERGY FUNCTIONS; FIRST PRINCIPLES; MECHANICAL PERFORMANCES; MECHANICAL PROPERTY; MECHANICAL RESPONSES; MORSE POTENTIALS; POTENTIAL PARAMETERS; SKUTTERUDITE COMPOUNDS; SKUTTERUDITE COSB3; SKUTTERUDITE MATERIALS; THERMOELECTRIC MATERIAL; ULTIMATE STRESS;

DYNAMICS;

EID: 58549085573     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2008.09.007     Document Type: Article

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