| 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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| 发表期刊 | SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
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| 2012-06-01
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| 卷号 | 55期号:6页码:918-926 |
| ISSN | 1674-7348
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| 摘要 | 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. |
| 关键词 | Lattice Wave Theory
Molecular Dynamics
Thermodynamic Properties
Constitutive Model
Interatomic Potential
Quasi-continuum Models
Solids
Defects
Deformation
Simulation
Fracture
Growth
Strain
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| 学科领域 | 本构关系
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| URL | 查看原文
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| 收录类别 | SCI
; EI
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| 语种 | 英语
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| WOS记录号 | WOS:000304351900002
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| 课题组名称 | LNM固体物理力学
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| 论文分区 | 二类/Q3
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| 引用统计 |
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| 文献类型 | 期刊论文
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| 条目标识符 | http://dspace.imech.ac.cn/handle/311007/46728
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| 专题 | 非线性力学国家重点实验室
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| 通讯作者 | Wang, TC; Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China. |
推荐引用方式
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.
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| 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.
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| 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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