Computational modelling of hydrogen assisted fracture in polycrystalline materials

We present a combined phase field and cohesive zone formulation for hydrogen embrittlement that resolves the polycrystalline microstructure of metals. Unlike previous studies, our deformation-diffusion-fracture modelling framework accounts hydrogen-microstructure interactions explicitly captures interplay between bulk (transgranular) fracture intergranular fracture, with latter being facilitated by through mechanisms such as grain boundary decohesion. demonstrate potential theoretical computational presented simulating inter- trans-granular cracking in relevant case studies. Firstly, verification calculations are conducted to show how predicts expected qualitative trends. Secondly, model is used simulate recent experiments on pure Ni Ni–Cu superalloy have attracted particular interest. able provide good quantitative agreement testing data yields mechanistic rationale experimental observations.