THE INFLUENCE OF THE SURFACE ORIENTATION ON THE MORPHOLOGY DURING HOMOEPITAXIAL GROWTH OF NICKEL BY MOLECULAR DYNAMICS SIMULATION

2017 ◽  
Vol 24 (02) ◽  
pp. 1750019 ◽  
Author(s):  
A. HASSANI ◽  
A. MAKAN ◽  
K. SBIAAI ◽  
A. TABYAOUI ◽  
A. HASNAOUI
Keyword(s):  
Molecular Dynamics ◽  
Surface Roughness ◽  
Film Growth ◽  
Deposition Process ◽  
Dynamics Simulation ◽  
Appearance Time ◽  
Homoepitaxial Growth ◽  
Embedded Atom ◽  
Upper Level ◽  
The One

Homoepitaxial growth film for (001), (110) and (111) Ni substrates is investigated by means of molecular dynamics (MD) simulation. Embedded atom method (EAM) is considered to represent the interaction potential between nickel atoms. The simulation is performed at 300[Formula: see text]K using an incident energy of 0.06[Formula: see text]eV. In this study, the deposition process is performed periodically and the period, [Formula: see text], is relative to a perfect layer filling. The coverage rate of the actual expected level, [Formula: see text], can be considered a determinant for thin-film growth of nickel. The [Formula: see text] level is the most filled level during the deposition on (001) substrate, while it is the less filled one in the case of (111) substrate. Moreover, the upper level is the one which is responsible for the surface roughness and the appearance time of an upper layer may also be a factor influencing the surface roughness. The deposition on (111) substrate induces the most rigorous surface with a rapid appearance time of the upper layers. The [Formula: see text] layers are almost completely filled for all substrates. The [Formula: see text] and lower layers are completely filled for (001) and (110) substrates while for (111) substrate the completely filled layers are [Formula: see text] and lower ones.

Molecular dynamics simulation of surface morphology during homoepitaxial growth of Copper

2019 ◽  
Vol 87 (3) ◽  
pp. 31301 ◽  
Author(s):  
Hicham El Azrak ◽  
Abdessamad Hassani ◽  
Abdelhadi Makan ◽  
Fouad Eddiai ◽  
Khalid Sbiaai ◽  
...  
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Surface Roughness ◽  
Surface Morphology ◽  
Md Simulation ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Homoepitaxial Growth ◽  
Embedded Atom ◽  
Rough Surface Morphology

In this paper, molecular dynamics (MD) simulation of surface morphology during homoepitaxial growth of Copper was investigated. For this purpose, simulations of Cu deposition on the Cu(111) substrate with an incidence energy of 0.06 eV at 300K were performed using the embedded-atom method (EAM). The grown thin film on Cu(111) reveled a rough surface morphology. During deposition, the important fraction of atoms intended for the upper layers undergone a rising rate of about 40% starting from the 2nd period and continued to increase until 65%, while the lower level reached a permanent rate of only 25% by the 4th period. Otherwise, except at the first layer level, the lower layers are incomplete. This void in the lower layers has favored the growth of the upper layers until a rate of 143% and has accelerated their time appearance. Th incidence energy has favored the filling of lower layers by reducing this surface roughness. However, the temperature effect needs more relaxation time to fill the lower layers.

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.

Molecular-Dynamics Simulation of the Initial Period of Cluster Deposition

2002 ◽  
Vol 749 ◽  
Author(s):  
K. Shintani ◽  
T. Nakajima ◽  
Y. Taniguchi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Initial Period ◽  
Equations Of Motion ◽  
Atomic Layer ◽  
Deposition Process ◽  
Dynamics Simulation ◽  
Soft Landing ◽  
Embedded Atom ◽  
Embedded Atom Method Potential

ABSTRACTThe initial periods of deposition process of metal clusters in the soft-landing regime are investigated by the molecular-dynamics simulation. The embedded-atom method potential is adopted for calculation of the interaction between metallic atoms. The predictor-corrector method for second-order differential equations is employed for integration of the equations of motion. A simulation begins with equilibration of clusters and a substrate at a specified temperature. The lowest atomic layer in the substrate is fixed and the next few atomic layers are set to be velocity-scaling layers during the deposition process. The periodic boundary conditions are imposed in the horizontal directions. A single cluster with no velocity is deposited on the substrate. The simulations are performed at different temperatures of the clusters and substrate and for different sizes of clusters. How the morphological transition of the deposited nanostructures is affected by these parameters is discussed.

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.

Development in Mechanics Research of Diamond Coatings/WC Interface Based on Molecular Dynamics Simulation

2014 ◽  
Vol 898 ◽  
pp. 41-46
Author(s):  
Xiao Gang Jian ◽  
Yun Hua Zhang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Adhesive Strength ◽  
Deposition Process ◽  
Dynamics Simulation ◽  
Microscopic Structure ◽  
Diamond Coatings ◽  
Paper Briefly ◽  
Film Substrate ◽  
Important Significance

This paper briefly reviews the overseas and domestic research status of the mechanics of hetero film-substrate interface based on molecular dynamics simulation, on this basis building the accurate model of diamond coatings/WC interface and executing the molecular dynamic simulation, exactly measuring the adhesive strength of the diamond coatings/WC interface, finally exploring the influence of interface scales on the adhesive strength of the diamond coatings/WC interface and verifying the feasibility of studying the microscopic structure by molecular dynamics simulation to characterize the mechanical properties of macrostructure, which has important significance for optimizing deposition process of diamond coatings to improve the adhesive strength of the interface.

Molecular Dynamics Simulation of Sputtering with Mmany-Body Interactions

1988 ◽  
Vol 100 ◽  
Author(s):  
Davy Y. Lo ◽  
Tom A. Tombrello ◽  
Mark H. Shapiro ◽  
Don E. Harrison
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Single Crystal ◽  
Low Energy ◽  
Dynamics Simulation ◽  
Embedded Atom Method ◽  
Many Body ◽  
Embedded Atom ◽  
Dynamics Simulations ◽  
Small Single Crystal

ABSTRACTMany-body forces obtained by the Embedded-Atom Method (EAM) [41 are incorporated into the description of low energy collisions and surface ejection processes in molecular dynamics simulations of sputtering from metal targets. Bombardments of small, single crystal Cu targets (400–500 atoms) in three different orientations ({100}, {110}, {111}) by 5 keV Ar+ ions have been simulated. The results are compared to simulations using purely pair-wise additive interactions. Significant differences in the spectra of ejected atoms are found.

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