| 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.
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| Source Publication | SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
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| 2012-06-01 | |
| Volume | 55Issue:6Pages:918-926 |
| ISSN | 1674-7348 |
| Abstract | The 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. |
| Keyword | Lattice 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 |
| URL | 查看原文 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:000304351900002 |
| Department | LNM固体物理力学 |
| Classification | 二类/Q3 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/46728 |
| Collection | 非线性力学国家重点实验室 |
| Corresponding Author | Wang, 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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