Atomistic and Kinetic Simulations of Radiation Damage in Molybdenum

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dc.contributor.authorRest, J.
dc.contributor.authorYacout, A. M.
dc.contributor.authorYe, B.
dc.contributor.authorYun, D.
dc.contributor.authorKuksin, A. Y.
dc.contributor.authorNorman, G. E.
dc.contributor.authorStegailov, V. V.
dc.contributor.authorYanilkin, A. V.
dc.contributor.authorInsepov, Z.
dc.date.accessioned2019-02-04T06:08:33Z
dc.date.available2019-02-04T06:08:33Z
dc.date.issued2012-04
dc.description.abstractA 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 clusters of SIAs, using molecular dynamics (MD). MD models were developed for calculation of the diffusion coefficients of vacancies, self-interstitials, and small dislocation loops containing 2 to 37 SIAs; and the rate constants were calculated. Interactions of small SIA loops with SIAs were simulated. The results show that rotation of SIA from one 〈111〉 to another equivalent direction is an important mechanism that significantly contributes to kinetic coefficients.en_US
dc.identifier.citationInsepov, Z., Rest, J., Yacout, A. M., Ye, B., Yun, D., Kuksin, A. Y., ... Yanilkin, A. V. (2012). Atomistic and kinetic simulations of radiation damage in molybdenum. In Actinides and Nuclear Energy Materials (Vol. 1444, pp. 15-21) https://doi.org/10.1557/opl.2012.1478en_US
dc.identifier.urihttp://nur.nu.edu.kz/handle/123456789/3721
dc.identifier.urihttps://dx.doi.org/10.1557/opl.2012.1478
dc.language.isoenen_US
dc.publisher2012 MRS Spring Meetingen_US
dc.rightsAttribution-NonCommercial-ShareAlike 3.0 United States*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/3.0/us/*
dc.titleAtomistic and Kinetic Simulations of Radiation Damage in Molybdenumen_US
dc.title.alternativeActinides and Nuclear Energy Materialsen_US
dc.typeArticleen_US
workflow.import.sourcescience

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