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Atomistic and Kinetic Simulations of Radiation Damage in Molybdenum

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dc.contributor.author Rest, J.
dc.contributor.author Yacout, A. M.
dc.contributor.author Ye, B.
dc.contributor.author Yun, D.
dc.contributor.author Kuksin, A. Y.
dc.contributor.author Norman, G. E.
dc.contributor.author Stegailov, V. V.
dc.contributor.author Yanilkin, A. V.
dc.contributor.author Insepov, Z.
dc.date.accessioned 2019-02-04T06:08:33Z
dc.date.available 2019-02-04T06:08:33Z
dc.date.issued 2012-04
dc.identifier.citation Insepov, 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.2012.1478 en_US
dc.identifier.uri http://nur.nu.edu.kz/handle/123456789/3721
dc.identifier.uri https://dx.doi.org/10.1557/opl.2012.1478
dc.description.abstract 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 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.language.iso en en_US
dc.publisher 2012 MRS Spring Meeting en_US
dc.rights Attribution-NonCommercial-ShareAlike 3.0 United States *
dc.rights.uri http://creativecommons.org/licenses/by-nc-sa/3.0/us/ *
dc.title Atomistic and Kinetic Simulations of Radiation Damage in Molybdenum en_US
dc.title.alternative Actinides and Nuclear Energy Materials en_US
dc.type Article en_US
workflow.import.source science

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