Mechanical properties and deformation behavior of a refractory multiprincipal element alloy under cycle loading

In comparison with the state-of-the-art Ni-based superalloys, refractory multiprincipal element alloys (MPEAs) exhibit considerably higher strengths at temperatures above 1600[Formula: see text]C, which can be a significant potential required in the high demand for aerospace applications. However, the atomic-scale work-hardening behavior of such important materials during low-cycle loading remain unknown. Here, using molecular dynamics simulations, we study the low-cycle fatigue of nanocrystalline refractory multiprincipal element alloy with different grain sizes, to reveal the cyclic deformation, work hardening and damage mechanism. As a result, an extensive grain growth is observed during the cyclic deformation, thus driving the dynamic Hall–Petch strengthening mechanism. For the model with large grain size, the glide of partial dislocations with screw structure can be responsible for the deformation behavior under cyclic loading, and at small grain size the grain growth-coordinated deformation twinning can control the plastic process. The deformation twin boundaries generated during the cyclic loading show high stability, while the remaining high-angle grain boundaries are highly unstable. The initial softening followed by hardening depends upon the dislocation density and grain size. In particular, atomic-scale element segregation occurs after cyclic loading. This study gives a cyclic deformation micromechanism, and thus accelerates the design and development of superior fatigue-resistant refractory multiprincipal element alloy over a wide temperature range.