Neutron diffraction study on the deuterium composition of nickel deuteride at high temperatures and high pressures

The site occupancy of deuterium (D) atoms in face-centered-cubic nickel (fcc Ni) was measured along a cooling path from 1073 to 300 K at an initial pressure of 3.36 GPa via in situ neutron powder diffraction. Deuterium atoms predominantly occupy the octahedral (O) sites and slightly occupy the tetra...

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Bibliographic Details
Published in:Physica. B, Condensed matter Condensed matter, 2020-06, Vol.587, p.412153, Article 412153
Main Authors: Saitoh, Hiroyuki, Machida, Akihiko, Hattori, Takanori, Sano-Furukawa, Asami, Funakoshi, Ken-ichi, Sato, Toyoto, Orimo, Shin-ichi, Aoki, Katsutoshi
Format: Article
Language:English
Subjects:
Deuterium
Diffraction
Initial pressure
Neutron diffraction
Neutrons
Nickel
Occupancy
Studies
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Summary:The site occupancy of deuterium (D) atoms in face-centered-cubic nickel (fcc Ni) was measured along a cooling path from 1073 to 300 K at an initial pressure of 3.36 GPa via in situ neutron powder diffraction. Deuterium atoms predominantly occupy the octahedral (O) sites and slightly occupy the tetrahedral (T) sites of the fcc metal lattice. The O-site occupancy increases from 0.4 to 0.85 as the temperature is lowered from 1073 to 300 K. Meanwhile, the T-site occupancy remains ~0.02. The temperature-independent behavior of the T-site occupancy is unusual, and its process is not yet understood. From the linear relation between the expanded lattice volume and D content, a D-induced volume expansion of 2.09 (13) Å3/D atom was obtained. This value is in agreement with the values of 2.14–2.2 Å3/D-atom previously reported for Ni and Ni0·8Fe0.2 alloy.
ISSN:0921-4526
1873-2135
DOI:10.1016/j.physb.2020.412153