Study of the diffusion mechanisms and the growth thin film of aluminum on Ni(100) substrate by molecular dynamics

Authors

  • A. Hassani Laboratory of Radiation and Matter, Faculty of Science and Technology, University Hassan 1er, 26000 Settat, Morocco
  • A. Makan Laboratory of Water and Environment, Faculty of Science, University Chouaib Doukkali, El Jadida, Morocco
  • K. Sbiaai Univ Hassan I, Laboratoire de sciences de matériaux, milieu et de la modémisatin (LS3M), Faculté Polydisciplinaire de Khouribga, 25000 Khouribga, Morocco
  • A. Tabyaoui Laboratory of Radiation and Matter, Faculty of Science and Technology, University Hassan 1er, 26000 Settat, Morocco.
  • A. Hasnaoui Univ Hassan I, Laboratoire de sciences de matériaux, milieu et de la modémisatin (LS3M), Faculté Polydisciplinaire de Khouribga, 25000 Khouribga, Morocco

DOI:

https://doi.org/10.34874/IMIST.PRSM/fsejournal-v5i2.28456

Keywords:

Molecular dynamics, film growth, jump diffusion, exchange mechanism

Abstract

Molecular modeling does not replace experimental or theoretical methods previously developed, but provide an additional tool for material behavior understanding. The method of molecular dynamics is one of several existing modeling methods to better understand the dynamics at atomic or molecular scale. Embedded Atom Method (EAM) was adopted in this study to solve the N-body problem. The purpose of this investigation was the study of different growth mechanisms and morphology of Al-thin film on Ni(100) substrate at 300 K. In this context, several simulations were performed using the Pun and Mishin potential. We explored some diffusion mechanisms that occurred during the layers formation, namely the jump and the exchange mechanisms that influence the growth mode of the film and the roughness of the formed surface.

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Published

01-02-2016

Issue

Section

Physics, Chemistry, Engineering Sciences