Eur. Phys. J. Appl. Phys. 91, 30301 (2020)
https://doi.org/10.1051/epjap/2020200186

Regular Article

NiAl thin film growth on Ni(001) substrate using molecular dynamics simulations^★

Laboratory LS3M, Polydisciplinary faculty of Khouribga, Sultan Moulay Slimane University of Beni Mellal, 25000 Khouribga, Morocco

^* e-mail: ksbiaai@gmail.com

Received: 15 June 2020
Received in final form: 12 August 2020
Accepted: 17 August 2020
Published online: 22 September 2020

Abstract

We have studied thin film growth of NiAl on Nickel (001) substrate using molecular dynamics simulations (MD) based on the Embedded Atom Method (EAM) potential. An incidence energy of 0.06 eV at 800 K, 900 K and 1000 K was considered. After the deposition process, we have obtained a B2-NiAl structure film with different percentages; 32.6% for the temperature 1000 K, 30% for 900 K and 25% for 800 K. Our investigation has prompt us to analyze the crystalline structure. During the evolution of deposited film, we observe the formation of grains with different orientation, as well as the appearance of vacancies in Ni and Al sublattices and antisites.