Extrusion formation mechanism on silicon surface under the silica cluster impact studied by molecular dynamics simulation

2008 ◽  
Vol 104 (10) ◽  
pp. 104907 ◽  
Author(s):  
Ruling Chen ◽  
Jianbin Luo ◽  
Dan Guo ◽  
Xinchun Lu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Formation Mechanism ◽  
Silicon Surface ◽  
Dynamics Simulation

scholarly journals Formation mechanism of bound rubber in elastomer nanocomposites: a molecular dynamics simulation study

RSC Advances ◽  
2018 ◽  
Vol 8 (23) ◽  
pp. 13008-13017 ◽  
Author(s):  
Jun Liu ◽  
Haixiao Wan ◽  
Huanhuan Zhou ◽  
Yancong Feng ◽  
Liqun Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Formation Mechanism ◽  
Simulation Study ◽  
Dynamics Simulation ◽  
Coarse Grained ◽  
Bound Rubber ◽  
Dynamics Simulations ◽  
Coarse Grained Molecular Dynamics

The formation mechanism of the bound rubber in elastomer nanocomposites using the coarse-grained molecular-dynamics simulations.

Insight into the formation and permeability of ionic liquid unilamellar vesicles by molecular dynamics simulation

Soft Matter ◽  
2020 ◽  
Vol 16 (10) ◽  
pp. 2605-2610 ◽  
Author(s):  
Kun Jiang ◽  
Xiaomin Liu ◽  
Hongyan He ◽  
Jianji Wang ◽  
Suojiang Zhang
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulation ◽  
Formation Mechanism ◽  
Dynamics Simulation ◽  
Unilamellar Vesicles ◽  
Insight Into

The formation mechanism and permeability properties of [C12mim][Sal] vesicles are investigated by molecular dynamics simulation.

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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