Evaluation of local stress and local hydrogen concentration at grain boundary using three-dimensional polycrystalline model

Ebihara, Kenichi   ; Itakura, Mitsuhiro  ; Yamaguchi, Masatake   ; Kaburaki, Hideo; Suzudo, Tomoaki   

The decohesion model in which hydrogen segregating at grain boundaries reduces their strength is considered to explain hydrogen embrittlement of steels. Therefore in order to understand hydrogen embrittlement from this model, stress and hydrogen concentration at grain boundaries need be evaluated under the fracture condition for tensile test specimens. From this consideration, we evaluated the stress and the hydrogen concentration at grain boundaries in the three-dimensional polycrystalline model which was generated by Voronoi tessellation. The different crystallographic orientation was given to each grain. Extracted data from the calculation in the notched round-bar specimen model under the tensile test condition was given to the polycrystalline model as the boundary condition. As a result, it was found that the valuated stress does not reach the fracture stress which was estimated under the condition of the evaluated hydrogen concentration by first principles calculation.