The trapping and mobility of hydrogen in nanostructured tungsten grain boundaries (GBs) have been studied by combining experimental and density functional theory (DFT) data. Experimental results show that nanostructured W coatings with a columnar grain structure and a large number of (1 1 0)/(2 1 1) interfaces retain more H than coarsed grained W samples. To investigate the possible influence of GBs on H retention, a complete energetic analysis of a non-coherent W(1 1 0)/W(1 1 2) interface has been performed employing DFT. Our results show that this kind of non-coherent interface largely attracts point defects (both a H atom and a metallic monovacancy separately) and that the presence of these interfaces contributes to a decrease in the migration energy of the H atoms with respect to the bulk value. When both the W monovacancy and H atom are introduced together into the system, the HV complex becomes the most stable configuration and one of the mechanisms explaining the H retention in the radiation damaged GB observed experimentally.
Nanostructured tungsten (nanoW) coatings have been deposited by DC magnetron sputtering. First, the influence of the sputtering power on the adhesion of the coatings to the substrate was investigated by depositing coatings at powers varying from 30 up to 220 W. Non-delaminated coatings were achieved at powers ≤50 W. Second, the influence of coating thickness on the morphological, microstructural and mechanical properties was investigated for films deposited at 50 W with thicknesses varying from 30 nm up to ∼4.0 m. SEM images reveal that all the films are highly compact, consisting of nanometer sized columns that grow perpendicular to the substrate. XRD data evidence that films are monophasic, being made of pure ␣phase. All coatings show compressive stress and low micro-strain. Nanoindentation tests show that coatings have a hardness higher than that reported for coarse grained W. No significant dependence of the previous properties on coating thickness was observed. Finally, the influence of the substrate on coatings properties was studied, by depositing a W coating at a power of 50 W on a commercial steel substrate: no significant dependence was found.
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