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Calculation of Elastic Constants of Ag/Pd Superlattice Thin Films by Molecular Dynamics with Many-Body Potentials

Calculation of Elastic Constants of Ag/Pd Superlattice Thin Films by Molecular Dynamics with Many-Body Potentials
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摘要 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. 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.
作者 高宁 赖文生
出处 《Chinese Physics Letters》 SCIE CAS CSCD 2006年第11期2913-2916,共4页 中国物理快报(英文版)
基金 Supported by the National Natural Science Foundation of China under Grant Nos 50471010 and 50531040.
关键词 COMPOSITION-MODULATED ALLOYS EMBEDDED-ATOM METHOD MECHANICAL-PROPERTIES SURFACE-STRESS COPPER MODULUS FOILS SIMULATION NICKEL NANOINDENTATION COMPOSITION-MODULATED ALLOYS EMBEDDED-ATOM METHOD MECHANICAL-PROPERTIES SURFACE-STRESS COPPER MODULUS FOILS SIMULATION NICKEL NANOINDENTATION
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