Multiscale modeling of hydrogen enhanced homogeneous dislocation nucleation

A multiscale approach is proposed to predict how the presence of hydrogen influences the onset of homogeneous dislocation nucleation (HDN) and thus of plasticity. The model takes inputs that can be solely obtained from atomistic calculations, such as dislocation core structure, stacking fault energy and hydrogen–hydrogen interaction. The equilibrium hydrogen concentration around the dislocation loop is calculated using a recently developed...