Multiscale Modeling of Hydrogen Embrittlement

Hydrogen is a major reactant with solids as a result of its strong chemical activity, high lattice mobility, and wide occurrence as H2 molecule and a constituent of molecular gases and liquids (eg, moisture in air)[1]. As a consequence, interactions of H with lattice defects, such as vacancies, dislocations, grain boundaries, and cracks, are crucial in determining the influence of this impurity on the properties of solids. These interactions are the ultimate culprit of H embrittlement, which is one of the most important problems in materials ...