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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.
Source PublicationSCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
2014-02
Volume57Issue:2Pages:208-217
ISSN1674-7348
AbstractThis 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.
KeywordThermal Stress Theory Interatomic Potential Thermal Strain Finite Temperature
Subject Area固体力学
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Indexed BySCI ; EI
Language英语
WOS IDWOS:000329997700003
Funding OrganizationNational Natural Science Foundation of China [11021262, 11172303, 11132011]; National Basic Research Program of China [2012CB937500]
DepartmentLNM固体物理力学
Classification二类/Q3
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/48256
Collection非线性力学国家重点实验室
Corresponding AuthorTang, QH (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
Recommended Citation
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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