Multiscale Simulation Models of Xe Bubble Formation in Irradiated Mo

TitleMultiscale Simulation Models of Xe Bubble Formation in Irradiated Mo
Publication TypeConference Paper
Year of Publication2012
AuthorsInsepov, Z, Starikov, SV, Yun, D, Yacout, AM
Other NumbersANL/MCS-P2047-0212
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.

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