Molecular dynamics simulation of MoS2 film lubrication behavior under reciprocating motion of space rolling bearings

Published: 14 April 2022| Version 1 | DOI: 10.17632/v7mpgcgd8v.1
Contributor:
Cheng Weilun

Description

We upload the LAMMPS input files used to produce the findings in Influence of Molecular dynamics simulation of MoS2 film lubrication behavior under reciprocating motion of space rolling bearings. These files are stored in each "Lammps" folders. These data can be reproduced by redoing the simulation in LAMMPS. However, for the improved REBO potential function you need to compile LAMMPS by yourself, and the improved REBO potential function is placed in the directory in a compressed form. The simulation files for single-layer MoS2 and double-layer MoS2 films have been stored separately with the folder names 'Single-layer' and 'Double-layer'. We have specified the simulation temperature and load information in the file naming, e.g. 3K_20n means the simulation temperature is 3K and the applied load is 20nN. The log file of each simulation is stored in the log folder, and there are separate model outputs for the tip, MoS2 layer and substrate 'in' files, if someone need to simulate can remove the corresponding comment.

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Institutions

Chongqing Jiaotong University

Categories

Solid Lubrication, Friction Simulation, Molybdenum Sulfide

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