|About this Abstract
||2014 TMS Annual Meeting & Exhibition
||Multiscale Approaches to Hydrogen-assisted Degradation of Metals
||Ab Initio Based Understanding of the Segregation and Diffusion Mechanisms of Hydrogen in Steels
||Tilmann Hickel, Roman Nazarov, Aurab Chakrabarty, Poulumi Dey, Gerard Leyson, Robert Spatschek, Blazej Grabowski, Jörg Neugebauer
|On-Site Speaker (Planned)
Hydrogen embrittlement in modern steels can be caused by the interaction of hydrogen with various microstructure features. While individual underlying mechanisms are hard to elucidate experimentally, ab initio methods provide access to the strength and the consequences of hydrogen interactions with individual structural features. We will address two combined aspects using density functional theory together with thermodynamic and kinetic models: First, the trapping and potentials for hydride formation by structural aspects, such as vacancies, dislocations and grain boundaries will be discussed. One example is the effect of H on the equilibrium vacancy concentration and the conditions for increased and even superabundant vacancy concentrations. Second, we will report about trends for the dependence of these effects on the chemical composition of the steels. For this aspect, the influence of Mn and Al are of particular interest. The findings will be used to provide guidelines for steel design.
||Planned: Paper Selections