Article
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Damage Cascade Simulation in Zirconium Nitride: A Molecular Dynamics Study
Version 1
: Received: 3 May 2023 / Approved: 4 May 2023 / Online: 4 May 2023 (08:27:04 CEST)
How to cite: Azeem, M. M. Damage Cascade Simulation in Zirconium Nitride: A Molecular Dynamics Study. Preprints 2023, 2023050234. https://doi.org/10.20944/preprints202305.0234.v1 Azeem, M. M. Damage Cascade Simulation in Zirconium Nitride: A Molecular Dynamics Study. Preprints 2023, 2023050234. https://doi.org/10.20944/preprints202305.0234.v1
Abstract
Zirconium nitride (Zr-N) is a candidate material for inert matric fuel elements in breeder reactors. They have shown exceptional resistance to radiative corrosive environments. They have shown excellent resistance to radiation stability at operational conditions in current generation reactors. But being a candidate nuclear fuel material in generation reactors, their radiation stability at higher temperature conditions observed has not been reported. We have employed molecular dynamics simulations to study the damage cascades and radiation stability of ZrN at 600K. The process of primary damage evolution by considering varying overlapping cascades with 10, 20 keV incident PKA’s reported here. The defects interface interaction and diffusion mechanism at the interface are reported.
Keywords
Molecular dynamics; LAMMPS; displacement cascade; defects
Subject
Engineering, Mechanical Engineering
Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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