A molecular dynamics approach is employed to study the impact of hydrogen to the elastic and plastic deformation of BCC iron pre-existing screw dislocation. The study reveals that an enhancement in the small amount of hydrogen concentration causes a decrease in the yield strength at room temperature (T = 300 K) with respect to their pure counterpart which indicates hy-drogen promotes localized plasticity mechanisms. The current mechanical properties study, thus, paves the way for the engineering of structural defects in BCC iron for resistance to hydrogen embrittlement.

Topics
Molecular dynamics, Deformation, Mechanical stress, Transition metals, Crystallographic defects, Crystal structure, Hydrogen embrittlement, Engineers
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