Molecular/Cluster Statistical Thermodynamics Methods To Simulate Quasi-Static Deformations At Finite Temperature
文献类型：期刊论文
| 作者 | Wang HY(汪海英) ; Hu M(胡明); Xia MF(夏蒙棼); Ke FJ(柯孚久); Bai YL(白以龙)
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| 刊名 | International Journal of Solids and Structures
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| 出版日期 | 2008 |
| 页码 | 3918-3933 |
| 通讯作者邮箱 | why@Lnm.imech.ac.cn |
| 关键词 | Inter-Atomic Potential Finite Temperature Quasi-Static Multiscale Statistical Thermodynamics Dislocation Nucleation Indentation Crystals Element |
| ISSN号 | 0020-7683 |
| 通讯作者 | Wang, HY (reprint author), Chinese Acad Sci, Inst Mech, LNM, 15 Beisihuan Xi Rd, Beijing 100080, Peoples R China. |
| 中文摘要 | The rapid evolution of nanotechnology appeals for the understanding of global response of nanoscale systems based on atomic interactions, hence necessitates novel, sophisticated, and physically based approaches to bridge the gaps between various length and time scales. In this paper, we propose a group of statistical thermodynamics methods for the simulations of nanoscale systems under quasi-static loading at finite temperature, that is, molecular statistical thermodynamics (MST) method, cluster statistical thermodynamics (CST) method, and the hybrid molecular/cluster statistical thermodynamics (HMCST) method. These methods, by treating atoms as oscillators and particles simultaneously, as well as clusters, comprise different spatial and temporal scales in a unified framework. One appealing feature of these methods is their "seamlessness" or consistency in the same underlying atomistic model in all regions consisting of atoms and clusters, and hence can avoid the ghost force in the simulation. On the other hand, compared with conventional MD simulations, their high computational efficiency appears very attractive, as manifested by the simulations of uniaxial compression and nanoindenation. (C) 2008 Elsevier Ltd. All rights reserved. |
| 类目[WOS] | Mechanics |
| 研究领域[WOS] | Mechanics |
| 关键词[WOS] | DISLOCATION NUCLEATION ; INDENTATION ; CRYSTALS ; ELEMENT |
| 收录类别 | SCI ; EI |
| 语种 | 英语 |
| WOS记录号 | WOS:000256254800022 |
| 公开日期 | 2009-08-03 ; 2009-09-14 |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/26026]  |
| 专题 | 力学研究所_力学所知识产出(1956-2008) |
| 推荐引用方式 GB/T 7714 | Wang HY,Hu M,Xia MF,et al. Molecular/Cluster Statistical Thermodynamics Methods To Simulate Quasi-Static Deformations At Finite Temperature[J]. International Journal of Solids and Structures,2008:3918-3933. |
| APA | 汪海英,胡明,夏蒙棼,柯孚久,&白以龙.(2008).Molecular/Cluster Statistical Thermodynamics Methods To Simulate Quasi-Static Deformations At Finite Temperature.International Journal of Solids and Structures,3918-3933. |
| MLA | 汪海英,et al."Molecular/Cluster Statistical Thermodynamics Methods To Simulate Quasi-Static Deformations At Finite Temperature".International Journal of Solids and Structures (2008):3918-3933. |
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来源：力学研究所
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