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Anomalous solution softening by unique energy balance mediated by kink mechanism in tungsten-rhenium alloys

Tsuru, Tomohito  ; Wakeda, Masato*; Suzudo, Tomoaki ; Itakura, Mitsuhiro ; Ogata, Shigenobu*

We explored softening/strengthening behavior in various solute in W matrix by density functional theory (DFT) calculations combined with solid solution model. As a result of DFT calculations for various solute, a clear trend was observed in the interaction energy between a solute and a screw dislocation, which has predominant influence on solid solution behavior. The predictions based on the solid solution model with DFT can reasonably reproduce the complicated softening/strengthening as a function of temperature and solute concentration. We conclude that this specific balance is the origin of macroscopic solid solution softening.

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Category:Physics, Applied

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