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Please use this identifier to cite or link to this item: https://dspace.lboro.ac.uk/2134/11623

Title: Modelling radiation damage at grain boundaries in fcc nickel and Ni-based alloy using long time scale dynamics techniques
Authors: Al Tooq, Zainab
Kenny, Steven D.
Keywords: Computer simulations
Molecular dynamics
Grain boundaries
Ni
Ni-Cr
Issue Date: 2013
Publisher: © Elsevier
Citation: AL TOOQ, Z. and KENNY, S.D., 2013. Modelling radiation damage at grain boundaries in fcc nickel and Ni-based alloy using long time scale dynamics techniques. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, 203, 15 May 2013, pp. 9–13.
Abstract: The long timescale evolution of radiation damage near grain boundaries (GB) in fcc Ni and a Ni–Cr alloy has been investigated. Molecular dynamics (MD) combined with the on-the-fly kinetic Monte Carlo (otf-KMC) has been used to study the evolution of defects in bulk, Σ3 and Σ5 GB systems resulting from 1 keV collision cascades. Results show that both interstitials and vacancies are attracted to GBs, that vacancy and interstitial clustering is observed in the bulk and vacancy clustering in the GB systems.
Description: This article was published in the journal, Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms [© Elsevier] and the definitive version is available at: http://dx.doi.org/10.1016/j.nimb.2012.10.027 Proceedings of the 11th Computer Simulation of Radiation Effects in Solids (COSIRES) Conference Santa Fe, New Mexico, USA, July 24-29, 2012.
Version: Accepted for publication
DOI: 10.1016/j.nimb.2012.10.027
URI: https://dspace.lboro.ac.uk/2134/11623
Publisher Link: http://dx.doi.org/10.1016/j.nimb.2012.10.027
ISSN: 0168-583X
Appears in Collections:Published Articles (Maths)

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