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| Molecular/Cluster Statistical Thermodynamics Methods To Simulate Quasi-Static Deformations At Finite Temperature | |
Wang HY(汪海英) ; Hu M(胡明); Xia MF(夏蒙棼); Ke FJ(柯孚久); Bai YL(白以龙); Wang, HY (reprint author), Chinese Acad Sci, Inst Mech, LNM, 15 Beisihuan Xi Rd, Beijing 100080, Peoples R China.
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| Source Publication | International Journal of Solids and Structures
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| 2008 | |
| Pages | 3918-3933 |
| ISSN | 0020-7683 |
| Abstract | 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. |
| Keyword | Inter-atomic Potential Finite Temperature Quasi-static Multiscale Statistical Thermodynamics Dislocation Nucleation Indentation Crystals Element |
| DOI | 10.1016/j.ijsolstr.2007.12.023 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:000256254800022 |
| WOS Keyword | DISLOCATION NUCLEATION ; INDENTATION ; CRYSTALS ; ELEMENT |
| WOS Research Area | Mechanics |
| WOS Subject | Mechanics |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/26026 |
| Collection | 力学所知识产出(1956-2008) |
| Corresponding Author | Wang, HY (reprint author), Chinese Acad Sci, Inst Mech, LNM, 15 Beisihuan Xi Rd, Beijing 100080, Peoples R China. |
| Recommended Citation 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,&Wang, HY .(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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