Molecular dynamics simulations of radiation damage in D0(19) Ti3Al intermetallic compound

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dc.contributor.authorVoskoboinikov, REen_AU
dc.date.accessioned2015-11-01T01:05:39Zen_AU
dc.date.available2015-11-01T01:05:39Zen_AU
dc.date.issued2013-07-15en_AU
dc.date.statistics2015-10-26en_AU
dc.description.abstractMolecular dynamics (MD) has been applied to simulate the radiation damage created in displacement cascades in D019 Ti3Al structural intermetallics. Collision cascades formed by the recoil of either Al or Ti primary knock-on atoms (PKA) with energy EPKA = 5, 10, 15 or 20 keV were considered in Ti3Al single crystals at T = 100, 300, 600 and 900 K. At least 24 different cascades for each (EPKA, T, PKA type) set were simulated. A comprehensive treatment of the modelling results has been carried out. We have evaluated the number of Frenkel pairs, fraction of Al and Ti vacancies, self-interstitial atoms and anti-sites as a function of (EPKA; T, PKA type). Preferred formation of both Al vacancies and self-interstitial atoms in D019 Ti3Al exposed to irradiation has been detected.© 2013, Elsevier B.V.en_AU
dc.identifier.citationVoskoboinikov, R. E. (2013). Molecular dynamics simulations of radiation damage in D0(19) Ti3Al intermetallic compound. Paper presented at the 18th International Conference on Ion Beam Modifications of Materials (IBMM 2012), 2-7 September 2012, Qingdao, China. In Wang, K.-M., Wang, X., Liu, B.-X., Chen, F., & Wang, X.-L. (Eds), Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 307, 25-28. doi:10.1016/j.nimb.2012.12.079en_AU
dc.identifier.conferenceenddate7 September 2012en_AU
dc.identifier.conferencename18th International Conference on Ion Beam Modifications of Materials (IBMM 2012)en_AU
dc.identifier.conferenceplaceQingdao, Chinaen_AU
dc.identifier.conferencestartdate2 September 2012en_AU
dc.identifier.editorsWang, K.-M., Wang, X., Liu, B.-X., Chen, F., & Wang, X.-L.en_AU
dc.identifier.govdoc6218en_AU
dc.identifier.issn0168-583Xen_AU
dc.identifier.journaltitleNuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atomsen_AU
dc.identifier.pagination25-28en_AU
dc.identifier.urihttp://dx.doi.org/10.1016/j.nimb.2012.12.079en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/6372en_AU
dc.identifier.volume307en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectCollisionsen_AU
dc.subjectMolecular dynamics methoden_AU
dc.subjectVacanciesen_AU
dc.subjectAtomsen_AU
dc.subjectOxidationen_AU
dc.subjectCorrosion resistanceen_AU
dc.titleMolecular dynamics simulations of radiation damage in D0(19) Ti3Al intermetallic compounden_AU
dc.typeConference paperen_AU
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