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Shape transition and coalescence of Au islands on Ag (110) by molecular dynamics simulation

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Abstract

We have used molecular dynamics simulations based on many body semi-empirical potentials described by the embedded atom method, to analyze and understand the diffusion and coalescence phenomena of Au-clusters during the heteroepitaxial growth on Ag (110) surface. Temperature ranging from 300 to 700 K were considered. In this study, we examined the heterogeneous system Aun/Ag(110), where n is the number of atoms in each cluster/island (with n = 15, ….35). Our results show that the clusters diffuse on the Ag (110) surface via different diffusion processes, namely, the exchange mechanism and the simple jump, which generate a 2D to 3D transition. Formation and adsorption energies of clusters with different sizes have been computed using static simulations. The dynamic study of coalescence for two islands of system Au15; Au0 − 9/Ag(110) at different temperatures makes it possible to deduce the detail of cluster shape and the influence of its temperature on the stability of the system and its growth during this evolution.

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Authors and Affiliations

  1. Laboratory LS3M, Polydisciplinary Faculty, Sultan Moulay Slimane University of Beni Mellal, 25000, Khouribga, Morocco

    F. Eddiai, A. Hassani, A. Hasnaoui & K. Sbiaai

  2. Laboratory LPMC, Chouaib Doukkali University, El Jadida, Morocco

    M. Dardouri & A. Hassani

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  1. F. Eddiai
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Eddiai, F., Dardouri, M., Hassani, A. et al. Shape transition and coalescence of Au islands on Ag (110) by molecular dynamics simulation. J Mol Model 27, 120 (2021). https://doi.org/10.1007/s00894-021-04734-z

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