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Title: First-principles calculations of interaction between solutes and dislocations in tungsten
Authors: Tsuru, T.
Suzudo, T.
Author's alias: 都留, 智仁
Keywords: Solution softening
Transmutation products
Dislocation
First-principles
Tungsten alloys
Issue Date: Aug-2018
Publisher: Elsevier BV
Journal title: Nuclear Materials and Energy
Volume: 16
Start page: 221
End page: 225
Abstract: Changes in mechanical properties due to transmutation products (Re and Os) in W alloys is a central issue for plasma-facing materials in fusion reactors. We conducted density functional theory calculations to investigate the effect of Re, Os, and other 5d solutes on core structure and motion of screw dislocations associated with plastic deformation. Ir, Pt, Au, and Hg solutes show strong attractive interactions with screw dislocations, causing solution strengthening by the pinning mechanism. On the other hand, Hf, Ta, and Re cause softening by facilitating dislocation motion around solutes. This prediction corresponds well with the experimental observation of softening behavior in W-Re alloys.
Rights: © 2018 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/BY-NC-ND/4.0/).
URI: http://hdl.handle.net/2433/236170
DOI(Published Version): 10.1016/j.nme.2018.07.007
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