Enhanced interatomic potential for skutterudite CoSb 3 in molecular dynamics simulations

Journal of Electronic Materials

Volumn 39, Issue 9, 2010, Pages 1714-1718

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

^a WUHAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

interatomic potential; mechanical properties; molecular dynamics; skutterudite CoSb 3; Thermoelectric materials

Indexed keywords

BOND-ANGLE DISTORTION; BOND-STRETCHING; ELASTIC PROPERTIES; FINITE TEMPERATURES; INTERATOMIC INTERACTIONS; INTERATOMIC POTENTIAL; MECHANICAL BEHAVIOR; MOLECULAR DYNAMICS SIMULATIONS; NANO-STRUCTURED; SKUTTERUDITES; STRUCTURAL STABILITIES; THERMOELECTRIC MATERIAL;

MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; STABILITY; STRESS-STRAIN CURVES; THERMOELECTRIC EQUIPMENT; THERMOELECTRICITY;

DYNAMICS;

EID: 77956228222     PISSN: 03615235     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11664-010-1203-7     Document Type: Article

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