A New Computational Method for Studies of 3-D Dislocation-precipitate Interactions in Reactor Steels

摘要

To enable computational design of advanced steels for reactor pressure vessels and core structural components, we present a new computational method for studies of the interaction between dislocations and precipitates. The method is based on three-dimensional parametric dislocation dynamics, Eshelby's inclusion and inhomogeneity solutions, and boundary and volume element numerical models. Results from this new method are successfully compared to recent molecular dynamics (MD) simulation results, and show good agreement with atomistic simulations. Then the method is first applied to the investigation of the critical shear stress (CSS) of precipitates sheared by successive dislocation cuttings. The simulations reveal that the CSS is reduced when dislocations cut precipitates, and that it can be as low as half the original value for a completely sheared precipitate. The influence of precipitate geometry and the ratio of precipitate-to-matrix elastic shear modulus on the CSS is presented, and the dependence of the interaction stress between dislocations and precipitates on their relative geometry is discussed. Finally an extension of the method to incorporate the dislocation core contribution to the CSS is highlighted.