Anisotropic interaction between self-interstitial atoms and 1/2<111> dislocation loops in tungsten

We investigate the interaction between <111> self-interstitial atoms (SIAs) and 1/2<111> self-interstitial dislocation loops in tungsten (W) via atomistic simulations. We explore the variation of the anisotropic distribution of binding energies with the shapes and sizes of the 1/2[111] loop and the nonequivalent configurations of <111> SIAs. For an arbitrarily shaped loop, SIA can be more easily trapped in the concave region of the loop than the convex region, which forms a loop whose curvature is closer to that of a circular loop. The direction of SIAs can largely affect the interaction behaviors with the loop. The capture distance of an SIA by the edge of a circular-shaped 1/2[111] loop is clearly elongated along the direction of the SIA; however, it weakly depends on the size of the loop. Then, we analyze the slanted ring-like capture volume of <111> SIAs formed by the circular loop based on their generated anisotropic stress fields. Furthermore, the binding energies obtained from the elastic theory and atomistic simulations are compared. The results provide a reasonable interpretation of the growth mechanism of the loop and the anisotropic interaction that induces irregular-shaped capture volume, affording an insight into the numerical and Object Kinetic Monte Carlo simulations to evaluate the long-term and large-scale microstructural evolution and mechanical properties of W.