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Atomistic and Kinetic Simulations of Radiation Damage in Molybdenum

Rest, J.; Yacout, A. M.; Ye, B.; Yun, D.; Kuksin, A. Y.; Norman, G. E.; Stegailov, V. V.; Yanilkin, A. V.; Insepov, Z. (2012 MRS Spring Meeting, 2012-04)

A new Mo potential, developed recently by using an ab initio quantum mechanics theory, was used to study formation and time evolution of radiation defects, such as self-interstitial atoms (SIAs), vacancies, and small ...
In situ TEM investigation of Xe ion irradiation induced defects and bubbles in pure molybdenum single crystal

Yun, D.; Kirk, Marquis A.; Baldo, Peter M.; Rest, J.; Yacout, A. M.; Insepov, Z. (Journ al of Nuclear Materials, 2013-06-30)

Abstract In order to study irradiation damage and inert gas bubble formation and growth behaviors, and to provide results and insights useful towards the validation of a multi-scale simulation approach based on a newly ...
Multiscale simulation models of Xe bubble formation in irradiated Mo

Starikov, S. V.; Yun, D.; Yacout, A. M.; Insepov, Z. (Transactions of the American Nuclear Society, 2012)

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 ...
A ternary EAM interatomic potential for U-Mo alloys with xenon

Smirnova, D.E.; Kuksin, A. Y.; Starikov, S. V.; Stegailov, V. V.; Rest, J.; Yacout, A. M.; Insepov, Z. (Modelling and Simulation in Materials Science and Engineering, 21(3), 2013-04)

A new interatomic potential for a uranium-molybdenum system with xenon is developed in the framework of an embedded atom model using a force-matching technique and a dataset of ab initio atomic forces. The verification of ...