Kinetically driven point-defect clustering in irradiated MgO by molecular-dynamics simulation

An approach for capturing the kinetic phase of radiation damage from molecular-dynamics simulations is presented. By by-passing the ballistic phase of the radiation damage, this approach focuses entirely on defect evolution, rather than on defect creation. In addition to replicating the nature of interstitial clustering observed from previous collision-cascade radiation-damage simulations, the simulations reveal a previously unidentified, intricate cluster-formation mechanism that involves not only the originally introduced Frenkel pairs but also formation of new ones that stabilize the defect clusters.