Abstract
In-depth understanding of grain boundaries (GBs) in multi-principal element alloys (MPEAs) is significant for designing MPEAs by GB engineering. This work explores the nanoscale GB structure and migration mechanism in MPEAs using atomic simulations. The GB-roughening transformation is observed as the mixing entropy increases, and the effect of entropy is confirmed by thermodynamic analysis. The entropy-induced transition of GB migration is proved: 1) the “concentrated shuffling mechanism” controls the migration of ordered GBs in low-entropy systems, leads to the obviously stepwise migration; 2) the “dispersed shuffling mechanism” dominates the migration of disordered GBs in high-entropy systems, resulting in the continuous migration manner.
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