| SIZE EFFECTS AT NANO-SCALE: GOVERNING MECHANISM AND EFFICIENT SIMULATIONS | |
Bai YL(白以龙) ; Yang R(杨荣); Xiao P(肖攀); Tang YZ(唐溢哲); Bai, YL (reprint author), Chinese Acad Sci, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China
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| Source Publication | ADVANCES IN HETEROGENEOUS MATERIAL MECHANICS 2011 |
| 2011 | |
| Pages | 490-490 |
| Conference Name | 3rd International Conference on Heterogeneous Material Mechanics (ICHMM 2011) |
| Conference Date | MAY 22-26, 2011 |
| Conference Place | Shanghai, PEOPLES R CHINA |
| Abstract | 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. |
| Keyword | Size Effect Nano-scale Intermolecular Potential Mst/cst Efficient Simulation |
| Department | LNM材料的分子/细观统计力学行为 |
| Funding Organization | Shanghai Univ |
| ISBN | 978-1-60595-054-9 |
| URL | 查看原文 |
| Indexed By | CPCI |
| Language | 英语 |
| Document Type | 会议论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/45252 |
| Collection | 非线性力学国家重点实验室 |
| Corresponding Author | Bai, YL (reprint author), Chinese Acad Sci, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China |
| Recommended Citation GB/T 7714 | Bai YL,Yang R,Xiao P,et al. SIZE EFFECTS AT NANO-SCALE: GOVERNING MECHANISM AND EFFICIENT SIMULATIONS[C]ADVANCES IN HETEROGENEOUS MATERIAL MECHANICS 2011,2011:490-490. |
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