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Thermodynamic properties and constitutive relations of crystals at finite temperature
Tang QH(汤奇恒); Wang ZQ(王自强); Shang BS(尚宝双); Liu F(刘峰); Wang, TC; Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
Source PublicationSCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
2012-06-01
Volume55Issue:6Pages:918-926
ISSN1674-7348
AbstractThe dynamics equation for each individual atom is established directly around the equilibrium state of the system of N atoms based on the inter-atomic potential energy of EAM model. Using the theory of lattice dynamics and periodical boundary condition, the 3Nx3N stiffness matrix in eigen equations of vibration frequencies for a parallelepiped crystal is reduced to a 3nx3n matrix of eigen equations of vibration frequencies for a unit lattice. The constitutive relation of the crystal at finite temperature is extracted based on the quantum-mechanical principle. The thermodynamic properties and the stress-strain relationships of crystal Cu with large plastic deformation at different temperatures are calculated, the calculation results agree well with experimental data.
KeywordLattice Wave Theory Molecular Dynamics Thermodynamic Properties Constitutive Model Interatomic Potential Quasi-continuum Models Solids Defects Deformation Simulation Fracture Growth Strain
Subject Area本构关系
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Indexed BySCI ; EI
Language英语
WOS IDWOS:000304351900002
DepartmentLNM固体物理力学
Classification二类/Q3
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Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/46728
Collection非线性力学国家重点实验室
Corresponding AuthorWang, TC; Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
Recommended Citation
GB/T 7714
Tang QH,Wang ZQ,Shang BS,et al. Thermodynamic properties and constitutive relations of crystals at finite temperature[J]. SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY,2012,55(6):918-926.
APA 汤奇恒,王自强,尚宝双,刘峰,Wang, TC,&Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China..(2012).Thermodynamic properties and constitutive relations of crystals at finite temperature.SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY,55(6),918-926.
MLA 汤奇恒,et al."Thermodynamic properties and constitutive relations of crystals at finite temperature".SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY 55.6(2012):918-926.
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