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 ...
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 ...
Abstract In order to overcome a lack of experimental information on values for key materials properties and kinetic coefficients, a multiscale modeling approach is applied to defect behavior in irradiated Mo where key ...
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 ...
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