Influence of carbon on hydrogen retention in molybdenum for nuclear material application: A first-principles investigation
Mo has been applied to nuclear material, in which H and carbon impurities are unavoidable.In view of this, we have studied the effect of carbon on the H retention in Mo using first-principles simulations.In perfect Mo, there is always repulsion between H and carbon, and impurity carbon cannot capture H atoms.With the appearance of vacancy in Mo, va