Chemical heterogeneity induced dislocation cross-slip in TiZrHf medium entropy alloys

J Zhou and CL Xu and PD Li and XB Tian and WT Jiang and QY Wang and HD Fan, SCRIPTA MATERIALIA, 269, 116908 (2025).

DOI: 10.1016/j.scriptamat.2025.116908

Cross-slip is an important dislocation behavior but studied inadequately in high/medium entropy alloys (H/ MEAs). In this work, molecular dynamics simulations were performed to study the dislocation cross-slip behavior in TiZrHf MEA. Results show that the basal dislocation segment cross slips onto prismatic plane favorably at high-Hf and low-Ti sites due to the chemical heterogeneity. The cross-slip events occur in high frequency but the average cross-slip segment length is <10 nm. As the Hf content increases and Ti content decreases, the lattice constants increase, which increase both the basal dislocation energy and prismatic dislocation energy. However, the basal dislocation energy increases fast and exceeds that of prismatic dislocation energy, which facilitates the cross-slip event from basal plane to prismatic plane. The current work provides new insights into understanding the dislocation cross-slip behavior in H/MEAs and regulating the cross-slip behavior by alloying.

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