Corrosion-induced microstructure degradation of copper in sulfide-containing simulated anoxic groundwater studied by synchrotron high-energy X-ray diffraction and ab-initio density functional theory calculation

Synchrotron high-energy XRD measurements and ab-initio DFT calculations were employed to investigate microstructural degradation of copper upon exposure sulfide-containing anoxic groundwater simulating nuclear waste repository. After two-month exposure, the revealed heterogeneous lattice deformation in microstructure expansion near-surface regions. The show that sulfur promotes hydrogen adsorption on copper. Water causes surface reconstruction insertion into microstructure, occurring via interstitial sites next vacancies leading dilation metal bond weakening. Hydrogen infusion presence caused degradation, indicating a risk for H-induced cracking.