Thermodynamic properties and constitutive relations of crystals at finite temperature

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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)
刊名	SCIENCE CHINA-PHYSICS MECHANICS & ASTRONOMY
	2012-06-01
通讯作者邮箱	tcwang@imech.ac.cn
卷号	55 期号:6 页码:918-926
关键词	lattice wave theory molecular dynamics thermodynamic properties constitutive model interatomic potential Quasi-Continuum Models Solids Defects Deformation Simulation Fracture Growth Strain
ISSN号	1674-7348
通讯作者	Wang, TC ; Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
产权排序	[Tang QiHeng;Wang TzuChiang; Shang BaoShuang; Liu Feng] Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China
中文摘要	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.
学科主题	本构关系
分类号	二类/Q3
收录类别	SCI ; EI
原文出处	http://dx.doi.org/10.1007/s11433-012-4744-3
语种	英语
WOS记录号	WOS:000304351900002
公开日期	2013-01-18
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/46728]
专题	力学研究所_非线性力学国家重点实验室
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.
APA	汤奇恒,王自强,尚宝双,&刘峰.(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.