A continuum thermal stress theory for crystals based on interatomic potentials

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	A continuum thermal stress theory for crystals based on interatomic potentials
	Liu XL(刘晓雷); Tang QH(汤奇恒); Wang ZQ(王自强); Tang, QH (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
发表期刊	SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
	2014-02
卷号	57 期号:2 页码:208-217
ISSN	1674-7348
摘要	This paper presents a new continuum thermal stress theory for crystals based on interatomic potentials. The effect of finite temperature is taken into account via a harmonic model. An EAM potential for copper is adopted in this paper and verified by computing the effect of the temperature on the specific heat, coefficient of thermal expansion and lattice constant. Then we calculate the elastic constants of copper at finite temperature. The calculation results are in good agreement with experimental data. The thermal stress theory is applied to an anisotropic crystal graphite, in which the Brenner potential is employed. Temperature dependence of the thermodynamic properties, lattice constants and thermal strains for graphite is calculated. The calculation results are also in good agreement with experimental data.
关键词	Thermal Stress Theory Interatomic Potential Thermal Strain Finite Temperature
学科领域	固体力学
URL	查看原文
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000329997700003
项目资助者	National Natural Science Foundation of China [11021262, 11172303, 11132011]; National Basic Research Program of China [2012CB937500]
课题组名称	LNM固体物理力学
论文分区	二类/Q3
引用统计	被引频次：3[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/48256
专题	非线性力学国家重点实验室
通讯作者	Tang, QH (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
推荐引用方式 GB/T 7714	Liu XL,Tang QH,Wang ZQ,et al. A continuum thermal stress theory for crystals based on interatomic potentials[J]. SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY,2014,57,2,:208-217.
APA	Liu XL,Tang QH,Wang ZQ,&Tang, QH .(2014).A continuum thermal stress theory for crystals based on interatomic potentials.SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY,57(2),208-217.
MLA	Liu XL,et al."A continuum thermal stress theory for crystals based on interatomic potentials".SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY 57.2(2014):208-217.

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