Included are LAMMPS data files for semicrystalline polyethylene (SCPE) and crystalline polyethylene (CPE) systems. Directories are organized by united atom or all atom representation, then system type, then pressure.
0e0_atm data files are post-equilibration using NVT (for SCPE) or NPT (for CPE). All other data files are post-equilibration using NPHug.
For work using these data, please include the following citation:
Mikhail, J.P.; Rutledge, G.C. Mechanisms of Shock Dissipation in Semicrystalline Polyethylene. Polymers 2023, 15, 4262. https://doi.org/10.3390/polym15214262