First-principles study on the dissolution and diffusion properties of hydrogen in α-Al2O3
Sign Up to like & getrecommendations! Published in 2020 at "Ceramics International"
DOI: 10.1016/j.ceramint.2020.10.156
Abstract: Abstract In fusion reactors, tritium permeation barrier (TPB) technology is one of the key scientific technologies. α-Al2O3 has been considered an ideal candidate material for TPBs. In this work, a series of first-principles calculations have… read more here.
Keywords: molecule; diffusion; dissolution diffusion; energy ... See more keywords
Diclofenac-proline nano-co-crystal development, characterization, in vitro dissolution and diffusion study
Sign Up to like & getrecommendations! Published in 2020 at "Heliyon"
DOI: 10.1016/j.heliyon.2020.e04864
Abstract: Nanotechnology has been widely developed to improve the solubility of active pharmaceutical ingredients. Co-crystal discovery has also taken much attention in drug design and development. A combination of the two techniques generates “nano-co-crystallization”, a new… read more here.
Keywords: diffusion; dissolution diffusion; microscopy; nano crystal ... See more keywords
Temperature-dependent dissolution and diffusion of H isotopes in iron for nuclear energy applications: First-principles and vibration spectrum predictions
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DOI: 10.1016/j.ijhydene.2017.02.133
Abstract: Abstract The dissolution and diffusion of H isotopes in bcc-Fe are fundamental and essential parameters in the H energy application from nuclear conversion, whereas the relevant data are lacking and relatively dispersive, demonstrating some important… read more here.
Keywords: dissolution diffusion; temperature; energy; vibration ... See more keywords
Orientation-dependent behaviors of H dissolution and diffusion near W surfaces: A first-principles study
Sign Up to like & getrecommendations! Published in 2017 at "International Journal of Modern Physics C"
DOI: 10.1142/s0129183117500905
Abstract: The dissolution and diffusion behaviors of H in the four low-Miller-index W surfaces ((110), (112), (100) and (111)) are systematically studied by the density functional theory approach to understand the orientation dependence of the H… read more here.
Keywords: diffusion; orientation; dissolution diffusion; surface ... See more keywords