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First-principles calculations of interaction between solutes and dislocations in tungsten

T. Tsuru / T. Suzudo

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. Keywords: Solution softening, Transmutation products, Dislocation, First-principles, Tungsten alloys

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First-principles calculations of interaction between solutes and dislocations in tungsten

T. Tsuru / T. Suzudo

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. Keywords: Solution softening, Transmutation products, Dislocation, First-principles, Tungsten alloys

First-principles calculations of interaction between solutes and dislocations in tungsten

T. Tsuru / T. Suzudo

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. Keywords: Solution softening, Transmutation products, Dislocation, First-principles, Tungsten alloys

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Title:

First-principles calculations of interaction between solutes and dislocations in tungsten

Contributors:

T. Tsuru (author) / T. Suzudo (author)

Published in:

Nuclear Materials and Energy, Vol 16, Iss , Pp 221-225 (2018)

Publication date:

2018

ISSN:

DOI:

https://doi.org/10.1016/j.nme.2018.07.007

Type of media:

Article (Journal)

Type of material:

Electronic Resource

Language:

Unknown

Keywords:

Nuclear engineering. Atomic power , TK9001-9401

Metadata by DOAJ is licensed under CC BY-SA 1.0

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