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

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.本数据集上传了用于支撑《空间滚动轴承往复运动下二硫化钼（MoS₂）薄膜润滑行为的分子动力学模拟》一文研究结论的LAMMPS输入文件。所有文件均存储于各个名为"Lammps"的文件夹中。可通过在LAMMPS中重新运行模拟复现本数据集包含的结果。但需注意，若要使用改进型反应经验键序（REBO）势函数，需自行编译LAMMPS，该势函数已以压缩包形式存放于对应目录中。单层二硫化钼与双层二硫化钼薄膜的模拟文件已分别存放在名为"Single-layer"和"Double-layer"的文件夹中。我们通过文件名标注了模拟温度与施加载荷信息，例如文件名"3K_20n"代表模拟温度为3开尔文，所施加的载荷为20纳牛（nN）。每次模拟的日志文件均存储于log文件夹中；同时针对针尖、二硫化钼薄膜与基底分别提供了对应的输入（.in）文件模型输出，若需开展模拟可移除相应的注释语句。