RP3.10-01: Molecular dynamics investigations of hydrogen-induced plastic deformation and failure

Executive Summary

This research conducts molecular dynamics modelling studies on the effect of hydrogen on grain boundary (GB) activities for various material. Using the molecular dynamic modelling this work studies the hydrogen-induced deformation of metals by achieving the following objectives:
· To map the hydrogen trapping and segregation at grain boundries and around crack tips.
· To simulate hydrogen diffusion from the bulk to GBs/crack tips.
· To investigate hydrogen-modified crack tip deformation mechanism along GBs in α-Fe.

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Commencement / End Date October 2020 to March 2024
Outcomes / Impact

The research advances the atomic-level understanding of hydrogen embrittlement (hydrogen-assisted GB decohesion and cracking) and provide mechanistic insights that may enable predictive GB engineering to design new structural metals with improved resistance to hydrogen embrittlement (HE). The improved understanding of HE will be beneficial to other FFCRC projects, such as RP3.1-06 (Study of hydrogen permeation through the pipe wall) and RP3.1-02 (Atom probe tomography for hydrogen interactions with steels).

Partners University of Wollongong
Research Contact

Douglas Proud

Research & Utilisation Program Coordinator