Multiscale simulation models of Xe bubble formation in irradiated Mo

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Date

2012

Authors

Starikov, S. V.
Yun, D.
Yacout, A. M.
Insepov, Z.

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Publisher

Transactions of the American Nuclear Society

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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Citation

Insepov, Z., Starikov, S. V., Yun, D., & Yacout, A. M. (2012). Multiscale simulation models of Xe bubble formation in irradiated Mo. Transactions of the American Nuclear Society, 106, 1374-1375.

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