シミュレーション
DFT Simulation of Twinnability in Cu-In Alloy
キーワード:
Cu-In alloy,
deformation twin,
twinnability,
density functional theory,
Cu-Al alloy,
Cu-Zn alloy
2023 年 62 巻 1 号 p. 263-267
詳細
2023 年 62 巻 1 号 p. 263-267
We investigated how the addition of indium (In) affects the deformation twinning of copper–indium (Cu–In) alloy through density functional theory (DFT) simulations. The twinnability of Cu–In alloy was compared to that of pure copper, copper–aluminum (Cu–Al) alloy, and copper–zinc (Cu–Zn) alloy. Our results showed that twinnability was greatly improved at two adjacent (111) slip planes with different concentrations of In atoms. Despite having a lower average twinnability than Cu–Al or Cu–Zn alloys, Cu–In alloy exhibited significantly higher twinnability near specific (111) planes with In atoms, which suggests that deformation twins can be easily generated on these planes during the normal deformation process with low strain rate. This study provides insights into the effects of In on the twinnability of Cu–In alloy and has implications for the design of new copper alloys with high mechanical properties.
