IMECH-IR  > 非线性力学国家重点实验室
分子动力学的格波理论
Alternative TitleLattice wave theory of molecular dynamics
汤奇恒; 王自强
Source Publication中国科学. 物理学, 力学, 天文学
2011-02-15
Volume41Issue:2Pages:214-220
ISSN1674-7275
Abstract应用固体物理学和固体力学的理论,建立了分子动力学的格波理论.该理论将符合周期性几何结构的三维晶体看作代表性体元,研究三维晶体在有限温度下的本构响应.基于周期边界条件,建立三维晶格振动的特征方程,求得三维晶体固有频率,进而得到各个原子动力学方程的解析解.在此基础上求得有限温度下,三维晶体的热应力.该理论有效地克服了经典分子动力学在时间尺度和空间尺度上的困难
Other AbstractCombining the solid status physics with solid mechanics,the lattice waves theory of molecular dynamics is proposed. A typical cubic element of 3 dimensional crystal with the periodic structure is considered,and the constitute response is studied with a finite temperature. Applying for the periodic boundary condition,the characteristic equation is set up,the natural frequencies of crystal and displacements of all atoms are obtained. The thermal stress is calculated. This theory overcomes the difficult of time scale and space scale of the classical molecular dynamics
Keyword格波理论 固有频率 本构响应 热应力
Subject Area力学
URL查看原文
Indexed ByCSCD
Language中文
Funding Organization国家自然科学基金(批准号:10721202,10872197);中国科学院基金(编号:KJCX2-YW-M04)资助项目
CSCD IDCSCD:4131534
DepartmentLNM固体物理力学
Classification二类
Citation statistics
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/44968
Collection非线性力学国家重点实验室
Corresponding Author汤奇恒
Recommended Citation
GB/T 7714
汤奇恒,王自强. 分子动力学的格波理论[J]. 中国科学. 物理学, 力学, 天文学,2011,41(2):214-220.
APA 汤奇恒,&王自强.(2011).分子动力学的格波理论.中国科学. 物理学, 力学, 天文学,41(2),214-220.
MLA 汤奇恒,et al."分子动力学的格波理论".中国科学. 物理学, 力学, 天文学 41.2(2011):214-220.
Files in This Item: Download All
File Name/Size DocType Version Access License
C2011J046.pdf(1034KB) 开放获取--View Download
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[汤奇恒]'s Articles
[王自强]'s Articles
Baidu academic
Similar articles in Baidu academic
[汤奇恒]'s Articles
[王自强]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[汤奇恒]'s Articles
[王自强]'s Articles
Terms of Use
No data!
Social Bookmark/Share
File name: C2011J046.pdf
Format: Adobe PDF
This file does not support browsing at this time
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.