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dc.contributor.authorBuchan, J.
dc.contributor.authorRobinson, M.
dc.contributor.authorChristie, H.
dc.contributor.authorRoach, D.
dc.contributor.authorRoss, D.
dc.contributor.authorMarks, Nigel
dc.date.accessioned2017-01-30T12:39:05Z
dc.date.available2017-01-30T12:39:05Z
dc.date.created2015-10-29T04:09:19Z
dc.date.issued2015
dc.identifier.citationBuchan, J. and Robinson, M. and Christie, H. and Roach, D. and Ross, D. and Marks, N. 2015. Molecular dynamics simulation of radiation damage cascades in diamond. Journal of Applied Physics. 117 (24): Article ID 245901.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/23760
dc.identifier.doi10.1063/1.4922457
dc.description.abstract

Radiation damage cascades in diamond are studied by molecular dynamics simulations employing the Environment Dependent Interaction Potential for carbon. Primary knock-on atom (PKA) energies up to 2.5 keV are considered and a uniformly distributed set of 25 initial PKA directions provide robust statistics. The simulations reveal the atomistic origins of radiation-resistance in diamond and provide a comprehensive computational analysis of cascade evolution and dynamics. As for the case of graphite, the atomic trajectories are found to have a fractal-like character, thermal spikes are absent and only isolated point defects are generated. Quantitative analysis shows that the instantaneous maximum kinetic energy decays exponentially with time, and that the timescale of the ballistic phase has a power-law dependence on PKA energy. Defect recombination is efficient and independent of PKA energy, with only 50% of displacements resulting in defects, superior to graphite where the same quantity is nearly 75%.

dc.publisherAmerican Institute of Physics Inc.
dc.titleMolecular dynamics simulation of radiation damage cascades in diamond
dc.typeJournal Article
dcterms.source.volume117
dcterms.source.number24
dcterms.source.issn0021-8979
dcterms.source.titleJournal of Applied Physics
curtin.note

Copyright 2015 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in Buchan, J. and Robinson, M. and Christie, H. and Roach, D. and Ross, D. and Marks, N. 2015. Molecular dynamics simulation of radiation damage cascades in diamond. Journal of Applied Physics. 117 (24): Article ID 245901 and may be found at http://scitation.aip.org/content/aip/journal/jap/117/24/10.1063/1.4922457

curtin.departmentDepartment of Physics and Astronomy
curtin.accessStatusOpen access


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