|About this Abstract
||2018 TMS Annual Meeting & Exhibition
||Environmentally Assisted Cracking: Theory and Practice
||Effect of Hydrogen on Ideal Shear Strength of Metals: An Ab-initio Study
||Pulkit Garg, Ilaksh Adlakha, Kiran N. Solanki
|On-Site Speaker (Planned)
Several ductile metals absorb hydrogen and undergo the phenomenon of hydrogen embrittlement (HE) that affects both their physical and chemical properties. Therefore, understanding the mechanisms behind HE has been of particular interest in both experimental and modeling research. Discrepancies between experimental observations and modeling results have led to various proposals for HE mechanisms. To gain insights into HE mechanisms, we use first-principles calculations to examine the effect of hydrogen on the ideal shear stress required for dislocation nucleation for different metals (Fe, Nb, Al and Ni). The shear stress required for dislocation nucleation was found to consistently decrease with increase in hydrogen concentration for most of the metals. Decrease in critical shear stress was observed for Fe, Nb and Al but Ni showed anomalous behavior. Finally, the density of states and valence charge transfer calculations were performed to gain insights into underlying mechanism leading to the observed behavior.
||Planned: Supplemental Proceedings volume