MD simulations of collision cascades in the vicinity of a screw dislocation in aluminium

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dc.contributor.authorVoskoboinikov, REen_AU
dc.date.accessioned2015-11-01T00:58:14Zen_AU
dc.date.available2015-11-01T00:58:14Zen_AU
dc.date.issued2015-05-15en_AU
dc.date.statistics2015-10-22en_AU
dc.descriptionProceedings of the 11th Computer Simulation of Radiation Effects in Solids (COSIRES) Conference Santa Fe, 24-29 July 2012, New Mexico, USA.en_AU
dc.description.abstractMolecular dynamics has been applied to study the interaction of collision cascades with 1=2h110i screw dislocations in aluminium. Primary knock-on atoms (PKA) with energy EPKA ¼ 5 keV were initiated in Al crystals at temperatures ranging from 100 K to 600 K at different distances from the dislocation line. Capture of the displaced atoms from the collision cascade region by the dislocation core has been observed at all simulation temperatures and led to the formation of a helical dislocation segment. Apart from that, in the material subjected to external loading a displacement cascade in the vicinity of a screw dislocation can trigger dislocation cross-slip. Under applied stress the dislocation unpins from the helical segment with the formation of a mobile dislocation loop with 1=2h110i Burgers vector. The number of residual vacancies and self-interstitial atoms produced in collision cascades near 1=2h110i screw dislocations is evaluated and compared with the number of Frenkel pairs formed in collision cascades in the pristine material under the same irradiation conditions. © 2013 Elsevier B.V.en_AU
dc.identifier.citationVoskoboinikov, R. E. (2013). MD simulations of collision cascades in the vicinity of a screw dislocation in aluminium. Paper presented at the 11th Computer Simulation of Radiation Effects in Solids (COSIRES) Conference Santa Fe, New Mexico, USA, 24-29 July 2012. In 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, 104-107. doi:10.1016/j.nimb.2013.01.021en_AU
dc.identifier.conferenceenddate29 July 2012en_AU
dc.identifier.conferencenameProceedings of the 11th 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.govdoc6216en_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.pagination104-107en_AU
dc.identifier.urihttp://dx.doi.org/10.1016/j.nimb.2013.01.021en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/6370en_AU
dc.identifier.volume303en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectMolecular dynamics methoden_AU
dc.subjectAluminiumen_AU
dc.subjectDamageen_AU
dc.subjectIrradiationen_AU
dc.subjectScrew dislocationsen_AU
dc.subjectVelocityen_AU
dc.titleMD simulations of collision cascades in the vicinity of a screw dislocation in aluminiumen_AU
dc.typeConference Paperen_AU
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