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- W2011320498 abstract "Neutron inelastic scattering techniques have been used to investigate how hydrogen is distributed over various interstitial sites in the lattice of ZrNi as the total hydrogen content is increased. The observed spectra can be fitted with an energy-dependent background and a set of gaussian-shaped peaks. The results are interpreted in terms of earlier structural investigations and of a model proposed by Westlake. At low concentrations (x < 0.6) a characteristic spectrum is seen consisting of two overlapping peaks of equal area centred on 120 meV energy transfer and a third peak at 76 meV with an area equal to 20% of either of the other peaks. If, as predicted, this spectrum arises from a single hydrogen site (site 1), we must attribute the low intensity of the 76 meV peak to an anomalously large Debye-Waller factor which would suggest a U-shaped anharmonic potential. Such a potential seems most likely in the y direction at site 1. At high concentrations (x = 2.7) a second more complex but equally characteristic spectrum is observed. Here, the gaussian fitting parameters can be constrained so as to yield two groups of peaks, the peaks in each group being of equal area. These two groups of peaks can each be related to the vibrations of hydrogen in harmonic orthorhombic potential wells, and on the basis of earlier investigations we would attribute them to sites 2 and 3. At intermediate concentrations the spectra can be fitted firstly to a linear combination of these two extreme spectra with a subsequent final refinement of all the parameters. The results show that site 1 fills up linearly with hydrogen concentrations up to x = 0.6 and then empties while the occupation of sites 2 and 3 increases. By x = 0.9, site 1 is empty and sites 2 and 3 then continue to fill up linearly in a ratio of approximately 1:2. These results are consistent with the existence of two separate phases α and β with an intervening two-phase region for 0.6 < x < 0.9. In the α phase, site 1 is progressively filled while, in the β phase, clusters of protons with one in site 2 and two in site 3 are progressively formed. At the βmin concentration, about one in four unit cells contain this three-proton cluster. Moreover, this cluster satisfies the Westlake criterion in that the protons in the cluster are separated by more than 2.1 Å, although at liquid nitrogen temperature the actual sequence of events differs from that proposed by Westlake for room temperature. The results are also compared with earlier data for the similar system ZrCoHx." @default.
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- W2011320498 date "1984-11-01" @default.
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- W2011320498 title "Inelastic neutron scattering from ZrNiHx" @default.
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- W2011320498 doi "https://doi.org/10.1016/0022-5088(84)90358-8" @default.
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