Supplementary Material for the article "Wrinkles in graphene suspended on flat substrates: structure and collapse under hydrostatic pressure"
This Supplementary Material is organized as follows. Directory "wrinkles" contains main computer programs that were used for all-atom molecular dynamics simulations of uniaxial and biaxial deformations of a graphene nanosheet lying on a flat substrate under action of hydrostatic pressure. All of the results in the article were obtained with these programs (except for simulations in REBO, AIREBO and other force-fields that were performed in LAMMPS). Directory "figures" contains files with structures of the deformed graphene nanosheet (in PDB format), that were presented in article figures. There is also directory "lammps", which includes auxiliary files for simulations with constant hydrostatic pressure in LAMMPS.
Institutions
- Semenov Institute of Chemical Physics (RU)
Publication Details
- Journal
- Zenodo (CERN European Organization for Nuclear Research)
- Published
- 2025-05-22
- DOI
- https://doi.org/10.5281/zenodo.15490710
- Primary Topic
- Graphene research and applications
- Type
- article
- Field-Weighted Citation Impact
- 0.00