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Elsevier, Applied Surface Science, (357), p. 1823-1829

DOI: 10.1016/j.apsusc.2015.10.051

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Molecular dynamics simulation of Cu/Au thin films under temperature gradient

Journal article published in 2015 by Qibin Li ORCID, Xianghe Peng, Tiefeng Peng, Qizhong Tang, Xiaomin Zhang, Cheng Huang
This paper is available in a repository.
This paper is available in a repository.

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Abstract

Three modulation period thin films, 1.8 nm Cu/3.6 nm Au, 2.7 nm Cu/2.7 nm Au and 3.6 nm Cu/1.8 nm Au, are obtained from deposition method and ideal modeling based on lattice constant, to examine their structures and thermophysical characteristics under temperature gradient. The coherent lattice interface is found both at deposit and ideal thin films after annealing. Also, the vacancies are observed clearly in the deposit thin films. The defect and component of thin films will influence the energy transportation in the coatings. The vacancies and lattice mismatch can enlarge the mobility of atoms and result in the failure of coating under the thermal stress. The power spectrum of atoms’ movement has no apparent rule for phonon transportation in thin films. The results are helpful to reveal the micro-mechanism and provide reasonable basis for the failure of metallic coatings.