Morphology evolution and defect distribution in irradiated graphite from molecular dynamics

摘要: Abstract Molecular dynamics is carried out to study the morphology evolution and point defect distribution in irradiated graphite. Collision cascade processes are simulated a wide PKA energy range (0.5–2.5 keV) by using AIREBO potential. The formation process of hillock (bump) that frequently observed radiation experiments repeated at atomic level two mechanisms proposed qualitatively. One light spot this work quantitative analysis involving total vacancy defects classified types (monovacancy, divacancy loop). Our data good agreement with other theoretical calculations broadly accepted Norgett-Robinson-Torrens model. An evidence transform between different provided from statistical view, which can be illustrated monovacancy tends form loops transition divacancy. simulations help provide deep insight into procedure graphite associate surface features generation due impact energetic particles.