This repository contains molecular dynamics (LAMMPS) and density functional theory (VASP) models (shown below), which were used to compute the force-field parameters to model the non-bonded interactions between silicon carbide and polyurea in our recent article published in Extreme Mechanics Letters. More information is given in the article “Molecular dynamics study of the penetration resistance of multilayer polymer/ceramic nanocomposites under supersonic projectile impacts.
A video abstract of the article is available here.
