TheMechanicalPropertiesofSkutteruditeCoAs3byMolecularDynamics（MD）Simulation

被引：0

作者：

刘立胜

翟鹏程

机构：

[1] StateKeyLaboratoryofAdvancedTechnologyforMaterialsSynthesisandProcessing,WuhanUniversityofTechnology

来源：

Journal of Wuhan University of Technology(Materials Science Edition) | 2008年 / 03期

关键词：

Skutterudite; thermoelectric; molecular dynamics; Morse potential;

D O I：

暂无

中图分类号：

TB302.3 [机械试验法];

学科分类号：

0805 ; 080502 ;

摘要：

Skutterudite CoAs 3 is a potentially important thermoelectric material.Morse potential is employed here to carry out molecular dynamics simulations of nanobulk CoAs 3 at the temperature of 0 K.The stress-strain relationships under uniaxial tensile and/or compressive strain are obtained.The elastic modulus, extreme strength and deformation mechanism are studied.The simulation results indicate that nanobulk CoAs 3 abruptly ruptures at much higher strain level under tension than conventional bulk CoAs 3 .Both the extreme stresses under tension and compression are much higher than those of conventional bulk CoAs 3 .

引用

收藏

页码：415 / 418

页数：4

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