Skip to main content

Graphene Molecular dynamics stress strain response

Performing Uniaxial Tensile Tests of Graphene in LAMMPS

Submitted by Nuwan Dewapriya on

I would like to share the codes required to perform an end-to-end molecular dynamics simulation, which will be useful to the novice researchers in the filed of atomistic simulations. I focus on simulating uniaxial tensile tests of a graphene sample in the LAMMPS molecular dynamics simulator, and I have attached two MATLAB scripts to create the input files for LAMMPS and to extract data from the LAMMPS output file.