Abstract
An extensive investigation on the microstructural evolution of nanocrystalline–amorphous laminated alloys (NALAs) by molecular dynamics simulations and mechanistic analysis have been conducted to apprehend the interplay of complex phenomena governing structural changes in this alloy under neutron irradiation. It was discovered from the evolution profiles of free volumes, atomic unfilled spaces, and irradiation-induced vacancies that the profound structural response of the NALA was orchestrated by the rapid and spontaneous recovery of free volumes that indicate a self-healing ability in the amorphous zone, while the phenomenon of geometric atomic reconstitution in local structures governs the effective self-healing capacity for annihilated nanocrystal regions. Furthermore, a distinctive, self-migration/diffusion capture dynamics for the annihilation of defects by phase boundaries was discovered as an effective self-healing mechanism in NALAs. These findings will potentially facilitate the development of advanced nuclear materials with high irradiation resistance.
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