Journal of Chemical Physics, Vol.113, No.18, 8187-8193, 2000
Molecular dynamic simulation of the interaction, at high energy, between the N-2 molecule and polyethylene
In this paper, molecular dynamic simulation is used to study the behavior of polyethylene, in orthorhombic phase, under atomic collision. Simulation of the interaction between a N-2 molecule, at high initial velocity, and polyethylene is made to understand the destruction process of the macromolecule. The calculations show two phases during the ablation. First, the collision produces CH2 units emission out of the crystal and second, there is a long relaxation time where the remaining energy is dissipated into the polymer.