Modelling radiation damage at grain boundaries in fcc nickel and Ni-based alloy using long time scale dynamics techniques

Tooq, Zainab Al; Kenny, Steven

COSIRES2012_paper.pdf (2.08 MB)

Modelling radiation damage at grain boundaries in fcc nickel and Ni-based alloy using long time scale dynamics techniques

journal contribution

posted on 2013-02-01, 11:27 authored by Zainab Al Tooq, Steven KennySteven Kenny

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.

History

School

Science

Department

Mathematical Sciences

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.

Publisher

Version

AM (Accepted Manuscript)

Publication date

2013

Notes

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.