Primary damage production in the presence of extended defects and growth of vacancy-type dislocation loops in hcp zirconium

TL;DR

This study uses molecular dynamics simulations to show how pre-existing microstructural elements in alpha-Zr influence primary radiation damage production, vacancy loop growth, and defect behavior, revealing microstructure-dependent effects.

Contribution

It provides new insights into how microstructural features like dislocation loops and grain boundaries affect damage accumulation and defect dynamics in zirconium under radiation.

Findings

Microstructural elements reduce primary damage production.

Cascades cause c-component loop shrinkage but not a-type loops.

Vacancy loops grow near grain boundaries in vacancy-rich environments.

Abstract

Production rates in long-term predictive radiation damage accumulation models are generally considered independent of the material's microstructure for reactor components. In this study, the effect of pre-existing microstructural elements on primary damage production in alpha-Zr -- and vice-versa -- is assessed by molecular dynamics (MD) simulations. a-type dislocation loops, c-component dislocation loops and a tilt grain boundary (GB) were considered. Primary damage production is reduced in the presence of all these microstructural elements, and clustering behavior is dependent on the microstructure. Collision cascades do not cause a-type loop growth or shrinkage, but they cause c-component loop shrinkage. Cascades in the presence of the GBs produce more vacancies than interstitials. This result, as well as other theoretical, MD and experimental evidence, confirm that vacancy loops will grow in the vacancy supersaturated environment near GBs. Distinct temperature-dependent growth regimes are identified. Also, MD reveals cascade-induced events where a-type vacancy loops are absorbed by GBs. Fe segregation at the loops inhibits this cascade-induced absorption.