Molecular Dynamics study of Free Standing Monolayer Graphene
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下载链接：
https://zenodo.org/record/10848780
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资源简介：
The dataset contains input files for molecular dynamics (MD) simulations of free standing monolayer graphene, as well as examples of MD traces at room temperature.
The zip file contains two folder:
1) input_log_files
2) md_traces
The latter contains 5 MD traces at T= 300 K for the investigated pseudopotentials.
The former contains input and log files for each run, at 11 different temperatures, for 3 pseudopotentials.
Each run contains the following files:
graphene.dat - the investigate graphene structure
in.lammps - the lammps input script
out.lammps - the lammps out file
log.lammps - the lammps log file
创建时间：
2025-03-12
