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

2020 ◽  
Vol 91 (3) ◽  
pp. 30301
Author(s):  
Hicham El Azrak ◽  
Abdessamad Hassani ◽  
Khalid Sbiaai ◽  
Abdellatif Hasnaoui
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Film Growth ◽  
Deposition Process ◽  
Thin Film Growth ◽  
Embedded Atom ◽  
Dynamics Simulations ◽  
Eam Potential ◽  
Deposited Film

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.

Effect of polyatomic ion structure on thin-film growth: Experiments and molecular dynamics simulations

2000 ◽  
Vol 88 (9) ◽  
pp. 5004-5016 ◽  
Author(s):  
Muthu B. J. Wijesundara ◽  
Yuan Ji ◽  
Boris Ni ◽  
Susan B. Sinnott ◽  
Luke Hanley
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Film Growth ◽  
Thin Film Growth ◽  
Ion Structure ◽  
Dynamics Simulations ◽  
Growth Experiments

Thin film growth by energetic cluster impact (ECI): comparison between experiment and molecular dynamics simulations

1993 ◽  
Vol 19 (1-2) ◽  
pp. 31-36 ◽  
Author(s):  
Hellmut Haberland ◽  
Zinetulla Insepov ◽  
Martin Karrais ◽  
Martin Mall ◽  
Michael Moseler ◽  
...  
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Film Growth ◽  
Thin Film Growth ◽  
Dynamics Simulations

scholarly journals Effect of substrate temperature on quality of copper film catalyst substrate: A Molecular Dynamics Study

2017 ◽  
Vol 2 (2) ◽  
pp. 183 ◽  
Author(s):  
Rinaldo Marimpul
Keyword(s):  
Molecular Dynamics ◽  
Substrate Temperature ◽  
Film Growth ◽  
Copper Film ◽  
Deposition Process ◽  
Embedded Atom Method ◽  
Embedded Atom ◽  
Dynamics Simulations ◽  
Embedded Atom Method Potential

Copper film growth using thermal evaporation methods was studied using molecular dynamics simulations. The AlSiMgCuFe modified embedded atom method potential was used to describe interaction of Cu-Cu, Si-Si and Cu-Si atoms. Our results showed that the variations of substrate temperature affected crystal structure composition and surface roughness of the produced copper film catalyst substrate. In this study, we observed intermixing phenomenon after deposition process. The increasing of substrate temperature affected the increasing of the total silicon atoms had diffusion into copper film.

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