Publications Repository - Helmholtz-Zentrum Dresden-Rossendorf

1 Publication
H trapping and mobility in nanostructured tungsten grain boundaries: A combined experimental and theoretical approach
González, C.; Panizo-Laiz, M.; Gordillo, N.; Tejado, E.; Munnik, F.; Guerrero, C.; Piaggi, P.; Iglesias, R.; Perlado, J. M.; González-Arrabal, R.;
The H trapping and mobility in nanostructured W grain boundaries has been studied by combining experimental and density functional theory (DFT) data. Experimental results show that nanostructured W coatings with a columnar structure and a large number of (110)/(211) interfaces retain more H than the coarsed grained W tungsten samples do. To investigate the possible influence of grain boundaries on the H retention, a complete energetic analysis has been done in a semi-coherent W(110)/W(112) interface built by DFT. Our results show that this kind of non-coherent interface largely attract points defects (both H atom and metallic monovacancy separately) and that the presence of these interfaces contribute to decrease the migration energy of the H atoms with respect to the bulk. When both W monovacancy and H atom are introduced together into the system, the HV complex results the most stable configuration suggesting an explanation to the H retention in the GB observed experimentally.
Keywords: Fusion, H trapping

Publ.-Id: 22323 - Permalink