Transfer of molecular dynamics data to dislocation dynamics to assess dislocation–dislocation loop interaction in iron

We propose a computationally fast and physically justifiable method to treat dislocation loops as stochastic thermally activated finite-size obstacles in discrete dislocation dynamics simulations. The method was parameterized using molecular dynamics data for the interaction of dislocations with a0/2〈1 1 1〉 dislocation loops. As demonstration, the method is applied to rationalize experimental hardening of neutron-irradiated iron. The obtained results show good agreement with experimental data.