Modelling radiation damage at grain boundaries in fcc Nickel and Ni-based alloy using Long Time Scale Dynamics Techniques

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

卷:303

Article

Al Tooq, Zainab¹  Kenny, Steven D.¹ 

[1] Univ Loughborough, Dept Math Sci, Loughborough LE11 3TU, Leics, England

关键词: Computer simulations;    Molecular dynamics;    Grain boundaries;    Ni;    Ni-Cr;   

DOI  :  10.1016/j.nimb.2012.10.027

来源: Elsevier

【 摘 要 】

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, Sigma 3 and Sigma 5 GB systems resulting from 1 key 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. (C) 2012 Elsevier B.V. All rights reserved.

【 授权许可】

Free