Hydrogen diffusion in titanium dihydrides from first principles
Source abstract
Abstract
Abstract Transition metal hydrides are of great practical interest due to high volume concentration of hydrogen. Titanium dihydride is a typical representative of such materials. Safe and reliable application of the dihydride requires established values of hydrogen diffusion rates. Experimental studies of the matter provide somewhat controversial results, therefore we investigate the process from first principles. We calculate hydrogen diffusion rates in representative compounds ( T i H 1.75 and T i H 2.0 ) and demonstrate that the dominant diffusion mechanism depends on temperature and composition.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Hydrogen Storage and Materials · Nuclear Materials and Properties · Fusion materials and technologies
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
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