MOLECULAR DYNAMICS SIMULATION OF NANO-SCALE THIN FILM LUBRICATION AND ITS MODIFICATION

2006 ◽  
Vol 42 (07) ◽  
pp. 138 ◽  
Author(s):  
Fanlin ZENG
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Thin Film Lubrication ◽  
Nano Scale ◽  
Film Lubrication

scholarly journals Molecular Dynamics Simulation on Thin-Film Lubrication of a Mixture of Three Alkanes

Materials ◽  
2020 ◽  
Vol 13 (17) ◽  
pp. 3689
Author(s):  
Run Du ◽  
Anying Zhang ◽  
Zhihua Du ◽  
Xiaoyu Zhang
Keyword(s):  
Thin Film ◽  
Molecular Dynamics ◽  
Film Thickness ◽  
Md Simulation ◽  
Dynamics Simulation ◽  
Thin Film Lubrication ◽  
Thickness Change ◽  
Density Peaks ◽  
Initial Film ◽  
Film Lubrication

We used the COMPASS forcefield to perform molecular dynamics (MD) simulation of a mixture composed of three alkanes as the lubricant for the thin-film lubrication. The viscosity of the lubrication film in the non-working state, the final film thickness, and density distribution were investigated. The results reveal that the viscosity error among different initial film thicknesses in the non-working state is within 5%, which confirms the applicability of the model and the forcefield. The viscosity decreases oscillating as temperature increases. Whatever the initial film thickness is, the film thickness change rate with respect to pressure load is almost the same. When pressure increases, the density peaks increase. As the initial film thickness increases, the normalized thicknesses of adsorption and ordered layers decrease. In nanoscale, the density predicted by the MD simulation is higher than the prediction of the Tait equation, even if the adsorption layers is excluded.

The Study on Young's Modulus of Multilayered Cu/Ni Multilayered Nano Thin Films by Molecular Dynamics Simulation

2014 ◽  
Vol 513-517 ◽  
pp. 113-116
Author(s):  
Jen Ching Huang ◽  
Fu Jen Cheng ◽  
Chun Song Yang
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Strain Rate ◽  
Young’S Modulus ◽  
Potential Function ◽  
Dynamics Simulation ◽  
System Temperature ◽  
Simulation Results

The Youngs modulus of multilayered nanothin films is an important property. This paper focused to investigate the Youngs Modulus of Multilayered Ni/Cu Multilayered nanoThin Films under different condition by Molecular Dynamics Simulation. The NVT ensemble and COMPASS potential function were employed in the simulation. The multilayered nanothin film contained the Ni and Cu thin films in sequence. From simulation results, it is found that the Youngs modulus of Cu/Ni multilayered nanothin film is different at different lattice orientations, temperatures and strain rate. After experiments, it can be found that the Youngs modulus of multilayered nanothin film in the plane (100) is highest. As thickness of the thin film and system temperature rises, Youngs modulus of multilayered nanothin film is reduced instead. And, the strain rate increases, the Youngs modulus of Cu/Ni multilayered nanothin film will also increase.

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