MOLECULAR DYNAMICS SIMULATIONS OF HYDROGEN-DISLOCATION INTERACTION IN IRON NANOCRYSTALS
MA Wagih and N Salman and TM Hatem and YZ Tang and JA El-Awadyt, 11TH WORLD CONGRESS ON COMPUTATIONAL MECHANICS; 5TH EUROPEAN CONFERENCE ON COMPUTATIONAL MECHANICS; 6TH EUROPEAN CONFERENCE ON COMPUTATIONAL FLUID DYNAMICS, VOLS II - IV, 3325-3336 (2014).
Hydrogen embrittlement of steels, and in metals in general, has been a subject of interest for the last sixty years. Nevertheless, the very specific mechanisms of embrittlement are still argued, where mixed effects of material characteristics are expected to play a role on the embrittlement/failure of the material. In the current study, atomistic simulations for iron nano-pillars (BCC) are conducted, with the existence and absence of hydrogen atoms, to study the hydrogen embrittlement phenomena. A focus is put on studying hydrogen's effect on plasticity evolution, e.g. the evolution of dislocation-densities under the existence of hydrogen atoms; The atomistic simulations help to give a new insight into the phenomena, by rather focusing on collective hydrogen interaction with existing dislocation networks in the material, along with the effect of hydrogen on densities evolution over time. Furthermore, a study of several models with different sizes, initial dislocation-densities and hydrogen concentration is conducted to study these effects on hydrogen embrittlement phenomena.
Return to Publications page