|About this Abstract
||2014 TMS Annual Meeting & Exhibition
||Multiscale Approaches to Hydrogen-assisted Degradation of Metals
||Coupled Atomistic-analytical Approach to Study Hydrogen Embrittlement by Nano-hydride Formation
||Blazej Grabowski, Gerard Leyson, Jörg Neugebauer
|On-Site Speaker (Planned)
Nano-hydrides have been recently shown to hugely enhance hydrogen-enhanced local plasticity . While fully atomistic approaches  allow for a highly realistic description of the mechanism, they proved to be computationally demanding. We have therefore developed a multiscale approach that accurately reproduces all relevant details but reduces the computational effort significantly. The proposed approach uses atomistic data as input and a self-consistent approach to compute the binding energies of hydrogen around defects. As an example, we discuss nano-hydride formation in fcc Ni around partial dislocations and dislocation loops. We provide a parametric study of the hydride size as a function of temperature and hydrogen concentration resulting in a phase diagram of hydride formation. Based on the simulations we are able to quantitatively predict the decrease of "pop-in" stress observed in H-charged nano-indentation experiments. Pezold J., et al. Acta Mater 2011; 59:2969.
||Planned: Paper Selections