Solute elements suppress the radiation damage in W alloys; Comparison between first-principles-based modeling and experimental evidence

Suzudo, Tomoaki   ; Toyama, Takeshi*; Hatano, Yuji*; Wang, J.*

We conducted first-principles investigations of stability and mobility of various solute atoms in W crystals, and discovered that displaced W atoms having one-dimensional motion bind with some specified solute atoms and form mixed dumbbells. We also discovered easy three-dimensional migration paths of the mixed dumbbells. This study was followed by kinetic Monte Carlo modeling, which suggested that the mixed dumbbells can suppress radiation-induced vacancies, agreeing with experimental evidence. In the presentation, we also explain recent updates of first-principles investigation and experiments for various W binary alloys.