Influence of Hydrogen Concentration and Point Defects on the Deformation, Phase Transformation, and Dislocation Evolution in Zirconium: A Molecular Dynamics Study
This molecular dynamics study reveals that while hydrogen concentration has a marginal impact on the mechanical properties of zirconium, irradiation-induced point defects—particularly self-interstitial atoms—significantly degrade its tensile strength, accelerate phase transformations, and alter dislocation evolution under tensile loading.