Crystal Plasticity Modeling of Hydrogen and Hydrogen-Related Defects in Initial Yield and Plastic Flow of Single-Crystal Stainless Steel 316L

Understanding of and accounting for various mechanisms that affect inelastic deformation of crystalline metals in the presence of hydrogen remains an unsettled issue. Macroscopic experimental observations contradict limited atomistic simulations, complicating the situation. In this work, we extend a recent physically based crystal viscoplasticity framework to include constitutive equations with a direct dependence on relevant hydrogen and hydrogen-related defect concentrations. Focusing on initial yield and post-yield strain hardening, we consider hydrogen solute drag on mobile dislocations as well as the role of dilute concentrations of hydrogen-vacancy complexes as obstacles to dislocation motion. Furthermore, the evolution of hydrogen and hydrogen-affected defect concentrations is explicitly considered via evolving hydrogen trap concentrations. The resulting framework is used to investigate hydrogen effects on the quasistatic, monotonic, strain-controlled uniaxial loading of single-crystal stainless steel 316L smooth specimens at room temperature in an attempt to connect atomistic insight and the resulting mesoscale model framework with experimental interpretations. Attributing the primary role of hydrogen in this manner is shown to produce good agreement with experiments in the initial yield and post-yield regime. The dominance of various hydrogen effects mechanisms is discussed.