Molecular dynamics simulations of high-dose damage production and defect evolution in tungsten

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http://hdl.handle.net/10138/335293

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Granberg , F , Byggmastar , J & Nordlund , K 2021 , ' Molecular dynamics simulations of high-dose damage production and defect evolution in tungsten ' , Journal of Nuclear Materials , vol. 556 , 153158 . https://doi.org/10.1016/j.jnucmat.2021.153158

Title: Molecular dynamics simulations of high-dose damage production and defect evolution in tungsten
Author: Granberg, F.; Byggmastar, J.; Nordlund, K.
Contributor organization: Department of Physics
Materials Physics
Helsinki Institute of Sustainability Science (HELSUS)
Helsinki Institute of Urban and Regional Studies (Urbaria)
Date: 2021-12-01
Language: eng
Number of pages: 8
Belongs to series: Journal of Nuclear Materials
ISSN: 0022-3115
DOI: https://doi.org/10.1016/j.jnucmat.2021.153158
URI: http://hdl.handle.net/10138/335293
Abstract: Tungsten has been chosen as the plasma-facing wall material in fusion reactors, due to its high density and melting point. The wall material will not only be sputtered at the surface, but also damaged deep inside the material by energetic particles. We investigate the high-dose damage production and accumulation by computational means using molecular dynamics. We observe that the choice of interatomic potential drastically affects the evolution. The structure and stability of the obtained defect configurations are validated using a quantum-accurate Gaussian approximation potential. (c) 2021 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license ( http://creativecommons.org/licenses/by/4.0/ )
Subject: Tungsten
Irradiation
Molecular dynamics
Radiation damage
Gaussian approximation potential
RADIATION-DAMAGE
DISPLACEMENT CASCADES
COMPUTER-SIMULATION
TEMPERATURE
IRRADIATION
BUILDUP
SPECTRA
SOLIDS
ATOMS
FE
114 Physical sciences
Peer reviewed: Yes
Rights: cc_by
Usage restriction: openAccess
Self-archived version: publishedVersion


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