Распыление вещества с поверхности кристаллов PuO2. Молекулярно-динамическое моделирование

Abstract

The process of release of PuO2 molecules and clusters from the surface of PuO2 crystals caused by the -decay collision cascades is studied using the molecular dynamics simulation. The amount of material knocked-out this way is calculated depending on the depth of the cascade initialization with respect to the surface. The estimated rate of the release (0.85 atoms/decay for a spherical 239PuO2 particle of the radius of 1 micron) is in good agreement with the experiment (0.72 atoms/decay for the same particle).