中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Molecular statistical thermodynamics - A distinct and efficient numerical approach to quasi-static analysis of nanomaterials at finite temperature

文献类型:期刊论文

作者Xiao P(肖攀); Wang J(王军); Ke FJ(柯孚久); Bai YL(白以龙)
刊名Composites Part B-Engineering
出版日期2012
卷号43期号:1页码:57-63
关键词free-energy-minimization elastic properties size defects solids nanowires mechanics nano-structures mechanical properties computational modeling micro-mechanics
ISSN号1359-8368
合作状况国内
中文摘要

This paper briefly reviews a distinct and efficient numerical approach to quasi-static analysis of nanomaterials at finite temperature: molecular statistical thermodynamics (MST), especially its various applications and efficiency. Different from molecular dynamics (MD) based on Newton equations, MST is a half-analytical numerical method based on the minimization of Helmholtz free energy. The applications of MST to compression of nanorods, nanoindentations and tension of nanowires show that MST is capable of characterizing the nucleation, propagation and interaction of dislocations as well as phase transformations involved in quasi-static deformations. Not only the mechanical responses and properties calculated with MST are in agreement with MD simulations, but the size effect of Young’s modulus of zinc oxide nanowires calculated with MST are also in good consistency with experimental results. All these results justify the reliability of MST. Furthermore, the efficiency analysis indicates that MST is dramatically faster than MD for quasi-static processes and is expected to be capable of simulating nanomaterials at larger scales with high efficiency.

学科主题微机电系统中的固体力学问
分类号一类
收录类别SCI ; EI
原文出处http://dx.doi.org/10.1016/j.compositesb.2011.04.031
语种英语
WOS记录号WOS:000299975400011
公开日期2012-12-04
源URL[http://dspace.imech.ac.cn/handle/311007/45746]  
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
Xiao P,Wang J,Ke FJ,et al. Molecular statistical thermodynamics - A distinct and efficient numerical approach to quasi-static analysis of nanomaterials at finite temperature[J]. Composites Part B-Engineering,2012,43(1):57-63.
APA Xiao P,Wang J,Ke FJ,&Bai YL.(2012).Molecular statistical thermodynamics - A distinct and efficient numerical approach to quasi-static analysis of nanomaterials at finite temperature.Composites Part B-Engineering,43(1),57-63.
MLA Xiao P,et al."Molecular statistical thermodynamics - A distinct and efficient numerical approach to quasi-static analysis of nanomaterials at finite temperature".Composites Part B-Engineering 43.1(2012):57-63.

入库方式: OAI收割

来源:力学研究所

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