Understanding the fundamental mechanisms behind H embrittlement: An ab initio guided multiscale approach
!!! Unusual date: Tuesday morning !!!
Feb 27, 2018
10:30 - 11:30
Prof. J. Neugebauer
Max-Planck-Institut für Eisenforschung, Max-Planck-Str. 1, 40237 Düsseldorf, Germany
The mechanical integrity of many structural materials is affected by the presence of hydrogen. Even minute amounts of a few ppm may give rise to fracture and embrittlement. From a modeling point of view, the descriptionof the impact of H on mechanical properties is challenging since hydrogen is known to interact with almost all microstructural and point defects. Thus, a quantitative description of how H impacts and interacts with the various defects requires to model large length and time scales while also having to take into account atomistic effects. In the talk it will be shown how by combining ab initio calculations with thermodynamic concepts the relevant mechanisms at atomic scale can be identified. Based on these insights atomistically informed mesoscale/macroscale concepts are constructed that allow to model H embrittlement on the length and time scales relevant for experiment.