atomic simulation

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.

Please see the attached paper (the pdf file) for complete details. 

Graphene edges, analogous to the structure of nanotubes, can significantly influence the overall electronic and magnetic properties of graphene nanostructures, and thus have become important issues in graphene research, especially for electronic applications. In this recent paper published on PRL, we reported that the free folding of suspended graphene sheets by random mechanical stimulation has preferred folding directions.