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

H El Azrak and A Hassani and K Sbiaai and A Hasnaoui, EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS, 91, 30301 (2020).

DOI: 10.1051/epjap/2020200186

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 0.06eV at 800K, 900K and 1000K was considered. After the deposition process, we have obtained a B2-NiAl structure film with different percentages; 32.6% for the temperature 1000K, 30% for 900K and 25% for 800K. 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.

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