| SELF-ADAPTIVE MOLECULE/CLUSTER STATISTICAL THERMODYNAMICS METHOD FOR QUASI-STATIC DEFORMATION AT FINITE TEMPERATURE | |
Tan H(谭浩); Wang HY(汪海英) ; Xia MF(夏蒙棼); Ke FJ(柯孚久); Bai YL(白以龙); Wang, HY (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China
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| Source Publication | Acta Mechanica Solida Sinica
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| 2011 | |
| Volume | 24Issue:1Pages:92-100 |
| ISSN | 0894-9166 |
| Abstract | 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. |
| Keyword | Self-adaptive Slip Shear Deformation Particle Method Approximation Refinement Criterion Switching Criterion Free-energy-minimization Molecular-dynamics Continuum Models Element Solids |
| Subject Area | Materials Science ; Mechanics |
| URL | 查看原文 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:000289128000005 |
| WOS Keyword | FREE-ENERGY-MINIMIZATION ; MOLECULAR-DYNAMICS ; CONTINUUM MODELS ; ELEMENT ; SOLIDS |
| WOS Research Area | Materials Science ; Mechanics |
| WOS Subject | Materials Science, Multidisciplinary ; Mechanics |
| Funding Organization | 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). |
| Department | LNM材料的分子/细观统计力学行为 |
| Classification | Q4 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/44944 |
| Collection | 非线性力学国家重点实验室 |
| Corresponding Author | Wang, HY (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech LNM, Beijing 100190, Peoples R China |
| Recommended Citation 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,&Wang, HY .(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. |
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