Abstract:
Multiscale simulation models for Xe bubble
nucleation and growth in irradiated Mo were developed
that consist Ab-initio calculations of the interatomic
potentials for the Mo and Xe-Mo systems, atomistic MD
simulations of the kinetic rate coefficients of radiation
defects, and nucleation mechanisms of Xe bubbles in Mo.
Simulations of various Xe concentrations, temperatures
and pressures were carried out. A critical concentration of
Xe atoms was determined at which the nucleation occurs
spontaneously.