Jörg von Appen, Richard Dronskowski, Aurab Chakrabarty, Tilmann Hickel, Robert Spatschek and Jörg Neugebauer
Adding a substantial amount of manganese to steels yields a material with extraordinary mechanical properties. A tiny amount of hydrogen in high-Mn steels, however, is already suffcient for the onset of devastating embrittlement effects. Using first-principles methods, an attraction of both elements is revealed, providing a complete analysis of the elastic, chemical, and magnetic origin of this phenomenon. These insights contribute to strategies to better control the hydrogen distribution in steels.