WebNov 28, 2024 · High-pressure X-ray diffraction of PdHx and PdDx demonstrates that these materials remain in a face-centered cubic (fcc, Fm3m) structure to megabar pressures at room temperature. The volumes indicate stoichiometric compositions under pressure with x = 1 for both materials. No indication of any phase transition was observed up to the … WebNov 3, 2024 · The hydrogen absorption behavior of C15 Laves phase compounds ZrV 2 has been systematically investigated by the first-principles calculations. In the C15 Laves phase, hydrogen atoms can occupy three possible tetrahedral interstitial positions—2A2B, 1A3B, and 4B—in which the 2A2B site, being the largest interstitial space among the three …
Average and local structure of selected metal deuterides
WebFeb 6, 2024 · A plane-wave cutoff of 500 eV was used for all energy minimization calculations at the gamma point. Using H T and H O to denote the regular hydrogens and … WebUnlike traditional FCC metal hydrides where hydrogen can only occupy tetrahedral interstices, this study demonstrates that hydrogen can also occupy octahedral interstices … barbarian battle axe
Reverse Monte Carlo investigation of the temperature dependent ...
WebHowever, the hydrogen uptake is low in these hydrides, usually below one hydrogen per metal, and thus the H–H distances are well above the Switendick criterion. As mentioned … WebFeb 6, 2024 · @article{osti_1599880, title = {Inelastic neutron scattering evidence for anomalous H–H distances in metal hydrides}, author = {Borgschulte, Andreas and Terreni, … WebFeb 3, 2024 · The team’s findings represent the first known exception to the Switendick criterion in a bimetallic alloy, a rule that holds for stable hydrides at ambient temperature and pressure the hydrogen-hydrogen distance is never less than 2.1 angstroms. barbarian basketball