Abstract Scope |
Hydrogen embrittlement leads to serious degradation in toughness and strength of steels. This poses an important aspect for industries to mitigate hydrogen embrittlement in steels to increase their usability and prevent failure especially under hydrogen environment. In this context, using first-principles calculations, we have studied the energetics of hydrogen in different structural traps, such as voids, dislocations, and grain boundaries, present in BCC Fe. Hydrogen stability under the presence of common solute atoms present in steel has also been studied. Finally, hydrogen behavior at Fe/precipitate interface has been investigated with a focus on different carbides potentially present in steel. Our findings show that tetrahedral voids present in Fe stabilizes hydrogen more as compared to the octahedral voids. Also, the presence of Si, Co, Cr, Mn, and S among other common solutes traps hydrogen efficiently within Fe.
Keywords: Hydrogen Embrittlement; First-principles calculations; Structural traps; Precipitates. |