Publications by authors named "Chiharu Kura"
Article Synopsis
- Nanocrystalline titanium nitride (TiN) is considered a viable substitute for palladium in creating membranes for efficient hydrogen production, but how hydrogen moves through these membranes is not well understood.
- This study developed an atomic-level model to explain the transport of hydride ions across TiN membranes, revealing that the grain boundaries have about 4 Å-wide spaces that facilitate hydrogen movement.
- Both experimental and theoretical methods demonstrated that these narrow boundaries allow selective hydrogen permeation, enhancing the overall hydrogen permeability of TiN membranes.
The dislocation-grain boundary (GB) interaction plays an important role in GB-related plasticity. Therefore, an atomistic investigation of the interaction provides a deeper understanding of the strength and fracture of polycrystalline metals. In this study, we investigated the absorption of a screw dislocation with a Burgers vector perpendicular to the GB normal and the corresponding symmetric tilt grain boundaries (STGBs) in BCC-Fe based on molecular static simulations focusing on the STGB-dislocation interaction energy and atomistic structural changes at GB.
View Article and Find Full Text PDFThe oxygen storage capability and related defect structure of tetrahedral orthochromite(V) compound YCrPO (x = 0, 0.3, 0.5, and 0.
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