| Calculation of Elastic Constants of Ag/Pd Superlattice Thin Films by Molecular Dynamics with Many-Body Potentials |
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| 作者姓名： | 高宁 赖文生 |
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| 作者单位： | Advanced Materials Laboratory, Department of Materials Science and Engineering, Tsinghua University, Beijing 100084 |
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| 基金项目： | Supported by the National Natural Science Foundation of China under Grant Nos 50471010 and 50531040. |
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| 摘 要： |
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| 关 键 词： | 弹性常量 超晶格薄膜 分子动力学 多体位势 |
| 收稿时间： | 2006-06-16 |
| 修稿时间： | 2006-06-16 |
Calculation of Elastic Constants of Ag/Pd Superlattice Thin Films by Molecular Dynamics with Many-Body Potentials |
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| GAO Ning, LAI Wen-Sheng.Calculation of Elastic Constants of Ag/Pd Superlattice Thin Films by Molecular Dynamics with Many-Body Potentials[J].Chinese Physics Letters,2006,23(11):2913-2916. |
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| Authors: | GAO Ning LAI Wen-Sheng |
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| Institution: | Advanced Materials Laboratory, Department of Materials Science and Engineering, Tsinghua University, Beijing 100084 |
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| Abstract: | The calculation of elastic constants of Ag/Pd superlattice thin films by molecular dynamics simulations with many-body potentials is presented. It reveals that the elastic constants C11 and C55 increase with decreasing modulation wavelength A of the films, which is consistent with experiments. However, the change of C11 and C55 with A is found to be around the values determined by a rule of mixture using bulk elastic constants of metals. No supermodulus effect is observed and it is due to cancellation between enhanced and reduced contributions to elastic constants from Ag and Pd layers subjected to compressive and tensile strains, respectively. |
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