SIZE EFFECTS AT NANO-SCALE: GOVERNING MECHANISM AND EFFICIENT SIMULATIONS
文献类型：会议论文
| 作者 | Bai YL(白以龙) ; Yang R(杨荣); Xiao P(肖攀); Tang YZ(唐溢哲)
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| 出版日期 | 2011 |
| 会议名称 | 3rd International Conference on Heterogeneous Material Mechanics (ICHMM 2011) |
| 会议日期 | MAY 22-26, 2011 |
| 会议地点 | Shanghai, PEOPLES R CHINA |
| 通讯作者邮箱 | baiyl@lnm.imech.ac.cn |
| 关键词 | size effect nano-scale intermolecular potential MST/CST efficient simulation |
| 页码 | 490-490 |
| 通讯作者 | Bai, YL (reprint author), Chinese Acad Sci, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China |
| 中文摘要 | Materials at nano-scale exhibit interesting behaviors in mechanical and other aspects. For instance, the Young's modulus of nano-scale samples demonstrates distinct size effects in both experiments and simulations, either increases or decreases with decreasing sample size. So, the challenging issue is: what mechanism underlies the opposite size effects and how to simulate the size effects correctly and efficiently in various possible applications In our work on size effect at nano-scale, it is found that the intermolecular potentials can significantly affect surface lattice and result in different size effects. For example, since L-J potential produces a repulsive equilibrium state in bulk, it would lead to a looser surface structure than bulk once a new surface is created, then results in the decrease of Young's modulus when sample size decreases. While Buckingham pair potential (with Coulomb interaction) induces the opposite size effect, owing to a denser surface resulting from an attractive equilibrium state. These findings have been justified with ID and 2D analysis or the comparison to experimental observations, [1-3]. For larger nano systems with more complex potentials, efficient simulations are badly needed. For this sake, a coupled method, MST/CST (Molecule and Cluster Statistical Thermodynamics) has been developed [3-4]. This method could bridge the gaps in both spatial and temporal scales involved in size effects. Practically, the MST/CST method is equal to MD to characterize the deformation of atomic lattice, phase transformation, etc, but it can beat the latter in computational efficiency. |
| 收录类别 | CPCI |
| 产权排序 | Chinese Acad Sci, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China |
| 会议主办者 | Shanghai Univ |
| 会议网址 | http://www.meeting.edu.cn/meeting/mediaAction!mediaDetail.action?id=8839 |
| 会议录 | ADVANCES IN HETEROGENEOUS MATERIAL MECHANICS 2011
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| 会议录出版者 | DESTECH PUBLICATIONS, INC |
| 学科主题 | Materials Science, Multidisciplinary; Mechanics |
| 会议录出版地 | 439 DUKE STREET, LANCASTER, PA 17602-4967 USA |
| 语种 | 英语 |
| ISBN号 | 978-1-60595-054-9 |
| 源URL | [http://dspace.imech.ac.cn/handle/311007/45252]  |
| 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 | Bai YL,Yang R,Xiao P,et al. SIZE EFFECTS AT NANO-SCALE: GOVERNING MECHANISM AND EFFICIENT SIMULATIONS[C]. 见:3rd International Conference on Heterogeneous Material Mechanics (ICHMM 2011). Shanghai, PEOPLES R CHINA. MAY 22-26, 2011.http://www.meeting.edu.cn/meeting/mediaAction!mediaDetail.action?id=8839. |
入库方式： OAI收割
来源：力学研究所
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