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

Chin. Phys. Lett.

2006, Vol. 23

Issue (11): 2913-2916 DOI:

Original Articles

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

GAO Ning;LAI Wen-Sheng

Advanced Materials Laboratory, Department of Materials Science and Engineering, Tsinghua University, Beijing 100084

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GAO Ning, LAI Wen-Sheng 2006 Chin. Phys. Lett. 23 2913-2916

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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 Λ of the films, which is consistent with experiments. However, the change of C₁₁ and C₅₅ with Λ 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.

Keywords: 07.05.Tp 62.20.Dc 68.60.-p

Published: 01 November 2006

PACS:	07.05.Tp	(Computer modeling and simulation)
	62.20.Dc
	68.60.-p	(Physical properties of thin films, nonelectronic)

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y2006/V23/I11/02913

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