MD study of primary damage in L1(0) TiAl structural intermetallics

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dc.contributor.authorVoskoboinikov, REen_AU
dc.date.accessioned2015-11-01T01:02:17Zen_AU
dc.date.available2015-11-01T01:02:17Zen_AU
dc.date.issued2013-05-15en_AU
dc.date.statistics2015-10-22en_AU
dc.descriptionProceedings of the 11th Computer Simulation of Radiation Effects in Solids (COSIRES) Conference Santa Fe, New Mexico, USA, July 24-29, 2012en_AU
dc.description.abstractComputer modelling by molecular dynamics has been applied to study the radiation damage created in collision cascades in L10 TiAl intermetallic compound. Either Al or Ti primary knock-on atoms (PKA) with energy 5 keV ⩽ EPKA ⩽ 20 keV were introduced in the intermetallic crystals at temperatures ranging from 100 K to 900 K. At least 24 different cascade for each (EPKA, T, PKA type) set were modelled in order to simulate a random spatial and temporal distribution of PKAs and provide statistical reliability of the results. The total yield of more than 760 simulated cascades is the largest yet reported for this binary intermetallic material. A comprehensive treatment of the modelling results has been carried out. 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) has been established. Preferred formation of Al self-interstitial atoms has been detected in L10 TiAl structural intermetallics exposed to irradiation. © 2012, Elsevier B.V.en_AU
dc.identifier.citationVoskoboinikov, R. E. (2013). MD study of primary damage in L1(0) TiAl structural intermetallics. Paper presented at the 11th Computer Simulation of Radiation Effects in Solids (COSIRES) Conference Santa Fe, New Mexico, USA, 24-29 July 2012. In Uberuaga, B. P., Caro, A., & Smith, R. (Eds), Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 303, 116-119. doi:10.1016/j.nimb.2012.11.026en_AU
dc.identifier.conferenceenddate29 July 2012en_AU
dc.identifier.conferencename11th Computer Simulation of Radiation Effects in Solids (COSIRES) Conference Santa Feen_AU
dc.identifier.conferenceplaceNew Mexico, USA.en_AU
dc.identifier.conferencestartdate24 July 2012en_AU
dc.identifier.editorsUberuaga, B. P., Caro, A., & Smith, R.en_AU
dc.identifier.govdoc6217en_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.pagination116-119en_AU
dc.identifier.urihttp://dx.doi.org/10.1016/j.nimb.2012.11.026en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/6371en_AU
dc.identifier.volume303en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectMolecular dynamics methoden_AU
dc.subjectVacanciesen_AU
dc.subjectStatistical dataen_AU
dc.subjectIntermetallic compoundsen_AU
dc.subjectIon beamsen_AU
dc.subjectTemperature rangeen_AU
dc.titleMD study of primary damage in L1(0) TiAl structural intermetallicsen_AU
dc.typeConference paperen_AU
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