Molecular Dynamics Simulation of Helium Cluster Formation in Ferrous-Chromium Alloy

2014 ◽  
Vol 65 (2) ◽  
pp. 222-228 ◽  
Author(s):  
A. Abhishek ◽  
M. Warrier ◽  
E. Rajendra Kumar
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Cluster Formation ◽  
Dynamics Simulation ◽  
Chromium Alloy ◽  
Helium Cluster

scholarly journals Molecular dynamics simulation of helium cluster diffusion and bubble formation in bulk tungsten

2014 ◽  
Vol 455 (1-3) ◽  
pp. 544-548 ◽  
Author(s):  
Xiao-Chun Li ◽  
Xiaolin Shu ◽  
Peng Tao ◽  
Yi Yu ◽  
Guo-Jiang Niu ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Bubble Formation ◽  
Dynamics Simulation ◽  
Helium Cluster ◽  
Cluster Diffusion

scholarly journals Molecular dynamics simulation of vacancy cluster formation in β- and α-Si3N4

2020 ◽  
Vol 178 ◽  
pp. 109632
Author(s):  
E. Adabifiroozjaei ◽  
S.S. Mofarah ◽  
H. Ma ◽  
Y. Jiang ◽  
M. Hussein N. Assadi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Cluster Formation ◽  
Vacancy Cluster ◽  
Dynamics Simulation

A molecular dynamics simulation study of small cluster formation and migration in metals

2000 ◽  
Vol 283-287 ◽  
pp. 753-757 ◽  
Author(s):  
K Morishita ◽  
T Diaz de la Rubia ◽  
E Alonso ◽  
N Sekimura ◽  
N Yoshida
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Cluster Formation ◽  
Small Cluster ◽  
Dynamics Simulation ◽  
And Migration

Surface diffusion and cluster formation of gold on the silicon (111)

2020 ◽  
Vol 2 (101) ◽  
pp. 49-59
Author(s):  
V. Plechystyy ◽  
I. Shtablavyi ◽  
K. Rybacki ◽  
S. Winczewski ◽  
S. Mudry ◽  
...  
Keyword(s):  
Activation Energy ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Silicon Surface ◽  
Large Scale ◽  
Computer Modelling ◽  
Substrate Surface ◽  
Cluster Formation ◽  
Dynamics Simulation ◽  
Gold Nanoislands

Purpose: Investigation of the gold atoms behaviour on the surface of silicon by molecular dynamics simulation method. The studies were performed for the case of one, two and four atoms, as well as incomplete and complete filling of gold atoms on the silicon surface. Design/methodology/approach: Investigations were performed by the method of molecular dynamics simulation using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). MEAM potential of interatomic interaction was used for modelling. Molecular dynamic simulations were carried out in isothermal-isobaric ensemble (NpT) with a timestep 1.0 fs. Findings: As a result of studies, the preferred interaction between gold atoms and the formation of clusters at temperatures up to 800 K was revealed. Analysis of the temperature dependences of the number of large jumps of atoms made it possible to calculate the activation energy of a single jump. It was found that activation energy of single atomic displacement decreases with increasing number of gold atoms. Research limitations/implications: Only a limited number of sets of atoms were used in the study. It is possible that for another combination of atoms and a larger substrate surface, the formation of gold nanoislands on the silicon surface can be observed, which requires further research. Practical implications: The research results can be used to select the modes of gold sputtering to create gold nanoislands or nanopillars on the silicon surface. Originality/value: Computer modelling of the behaviour of gold atoms on the surface of silicon with the possibility of their self-organization and cluster formation was performed for the first time.

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