Volume 64, Number 3, November 2003
|Page(s)||344 - 350|
|Section||Condensed matter: structure, mechanical and thermal properties|
|Published online||01 December 2003|
Tetrahedral occupancy in the - system observed by in situ neutron powder diffraction
School of Science, Griffith University - Brisbane 4111, Australia
Corresponding author: E.Gray@griffith.edu.au
Accepted: 29 August 2003
The crystallography of the -x system has been studied by in situ neutron powder diffraction at 309, in the supercritical region, and, after quenching in the pure β phase to 50, in the two-phase region at 50. Rietveld profile analysis of the supercritical diffraction patterns showed that 14% of D interstitials were occupying tetrahedral interstices, in sharp contrast to previous studies at lower temperatures. Tetrahedral occupancy was maintained through the two-phase region at 50. These results are discussed in the light of first-principles total-energy calculations of hydrogen states in palladium.
PACS: 61.50.Ks – Crystallographic aspects of phase transformations; pressure effects / 61.72.Dd – Experimental determination of defects by diffraction and scattering / 61.72.Ji – Point defects (vacancies, interstitials, color centers, etc.) and defect clusters
© EDP Sciences, 2003
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