Effect of hydrogen on the ideal shear strength in metals and its implications on plasticity: A first-principles study

Hydrogen embrittlement limits the service life of various metallic components by causing a transition from ductile to brittle failure inherently alloys. In this work, using first-principles calculations, effect interstitial hydrogen on ideal shear strength across metals (Al, Ni, Fe, Nb, Ti, and Zr) its implications plasticity are discussed. The presence led volumetric expansion, which in turn had key role observed response cubic metals. However, case HCP metals, chemical contributions also have significant part response. atom interacts strongly with valence d orbital (Ni, Zr). Based Peierls-Nabarro framework, reduces Peierls stress all examined here. Finally, these findings provide insights comprehensively understand embrittlement.