SELF-ADAPTIVE MOLECULE/CLUSTER STATISTICAL THERMODYNAMICS METHOD FOR QUASI-STATIC DEFORMATION AT FINITE TEMPERATURE
文献类型：期刊论文
| 作者 | Tan H(谭浩); Wang HY(汪海英) ; Xia MF(夏蒙棼); Ke FJ(柯孚久); Bai YL(白以龙)
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| 刊名 | Acta Mechanica Solida Sinica
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| 出版日期 | 2011 |
| 卷号 | 24期号:1页码:92-100 |
| 通讯作者邮箱 | why@lnm.imech.ac.cn |
| 关键词 | Self-Adaptive Slip Shear Deformation Particle Method Approximation Refinement Criterion Switching Criterion Free-Energy-Minimization Molecular-Dynamics Continuum Models Element Solids |
| ISSN号 | 0894-9166 |
| 产权排序 | [Tan, Hao; Wang, Haiying; Bai, Yilong] Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China; [Tan, Hao] Chinese Acad Sci, Grad Univ, Beijing 100871, Peoples R China; [Xia, Mengfen] Peking Univ, Sch Phys, Beijing 100871, Peoples R China; [Ke, Fujiu] Beijing Univ Aeronaut & Astronaut, Sch Phys & Nucl Energy Engn, Beijing 100191, Peoples R China |
| 通讯作者 | Wang, HY (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China |
| 合作状况 | 国内 |
| 中文摘要 | Hybrid molecule/cluster statistical thermodynamics (HMCST) method is an efficient tool to simulate nano-scale systems under quasi-static loading at finite temperature. In this paper, a self-adaptive algorithm is developed for this method. Explicit refinement criterion based on the gradient of slip shear deformation and a switching criterion based on generalized Einstein approximation is proposed respectively. Results show that this self-adaptive method can accurately find clusters to be refined or transferred to molecules, and efficiently refine or transfer the clusters. Furthermore, compared with fully atomistic simulation, the high computational efficiency of the self-adaptive method appears very attractive. |
| 学科主题 | Materials Science; Mechanics |
| 分类号 | Q4 |
| 类目[WOS] | Materials Science, Multidisciplinary ; Mechanics |
| 研究领域[WOS] | Materials Science ; Mechanics |
| 关键词[WOS] | FREE-ENERGY-MINIMIZATION ; MOLECULAR-DYNAMICS ; CONTINUUM MODELS ; ELEMENT ; SOLIDS |
| 收录类别 | SCI ; EI |
| 资助信息 | Project supported by the National Natural Science Foundation of China (Nos. 10932011, 10772181, 10732090, 10772012 and 11021262) and the National Basic Research Program of China (No. 2007CB814803). |
| 原文出处 | http://www.sciencedirect.com/science/article/pii/S0894916611600116 |
| 语种 | 英语 |
| WOS记录号 | WOS:000289128000005 |
| 公开日期 | 2012-04-01 |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/44944]  |
| 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 | Tan H,Wang HY,Xia MF,et al. SELF-ADAPTIVE MOLECULE/CLUSTER STATISTICAL THERMODYNAMICS METHOD FOR QUASI-STATIC DEFORMATION AT FINITE TEMPERATURE[J]. Acta Mechanica Solida Sinica,2011,24(1):92-100. |
| APA | 谭浩,汪海英,夏蒙棼,柯孚久,&白以龙.(2011).SELF-ADAPTIVE MOLECULE/CLUSTER STATISTICAL THERMODYNAMICS METHOD FOR QUASI-STATIC DEFORMATION AT FINITE TEMPERATURE.Acta Mechanica Solida Sinica,24(1),92-100. |
| MLA | 谭浩,et al."SELF-ADAPTIVE MOLECULE/CLUSTER STATISTICAL THERMODYNAMICS METHOD FOR QUASI-STATIC DEFORMATION AT FINITE TEMPERATURE".Acta Mechanica Solida Sinica 24.1(2011):92-100. |
入库方式： OAI收割
来源：力学研究所
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