Molecular Dynamics Simulation of Mesoporous Silica under Ionic Ballistic Irradiations
Résumé
We performed simlulations of irradiation of silica mesoporous samples. We use DL_POLY 3 along with ZBL potentials. Irradiation results in a density modification which which trace versus the deposited energy. We alternate displacements cacsade with relaxation periods. We plot pressure variation and analyse the coordination.