First-principles study of solvent-solute mixed dumbbells in body-centered-cubic tungsten crystals

Tomoaki Suzudo, Tomohito Tsuru, Akira Hasegawa

Research output: Contribution to journalArticlepeer-review

5 Citations (Scopus)

Abstract

Tungsten (W) is considered as a promising candidate for plasma-facing materials for future nuclear fusion devices, and selecting optimal alloying constituents is a critical issue to improve radiation resistance of the W alloys as well as to improve their mechanical properties. We conducted in the current study a series of first-principles calculations for investigating solvent-solute mixed dumbbells in W crystals. The results suggested that titanium (Ti), vanadium (V), and chromium (Cr) are favorable as solutes for W alloys from irradiation-effect perspectives because these elements are expected to promote vacancy-interstitial recombination without causing radiation-induced precipitation that reduces ductility of irradiated materials.

Original languageEnglish
Pages (from-to)15-21
Number of pages7
JournalJournal of Nuclear Materials
Volume505
DOIs
Publication statusPublished - 2018 Jul

Keywords

  • First-principles method
  • Low-symmetrical configuration
  • Migration path
  • Mixed dumbbells
  • W alloys

ASJC Scopus subject areas

  • Nuclear and High Energy Physics
  • Materials Science(all)
  • Nuclear Energy and Engineering

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