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Solubility of deuterium and hydrogen in fcc iron at high pressures and temperatures

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Kuzovnikov,  Mikhail
High Pressure Group, Max Planck Institute for Chemistry, Max Planck Society;

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Citation

Antonov, V. E., Gurev, V. M., Kulakov I, V., Kuzovnikov, M., Sholin, I. A., & Zuykova, V. Y. (2019). Solubility of deuterium and hydrogen in fcc iron at high pressures and temperatures. Physical Review Materials, 3(11): 113604. doi:10.1103/PhysRevMaterials.3.113604.


Cite as: https://hdl.handle.net/21.11116/0000-0006-1075-4
Abstract
An isobar x(T) of deuterium solubility in iron is constructed at P = 6.3GPa and 100 ≤ T ≤ 800 ∘C based on the results of thermal desorption analysis of FeDx samples produced by quenching under high D2 pressure to the temperature of liquid nitrogen. The experiment confirms the value of x = 0.64 at T = 715 ∘C proposed previously in a neutron diffraction work [Machida et al., Nature Commun. 5, 5063 (2014)] for γ iron deuteride under the assumption that deuterium atoms occupy both octa- and tetrahedral interstices in its fcc metal lattice. An estimate of ΔV/x = 2.2 Å3 /atom D made in that work for the deuterium-induced volume expansion ΔV (x) of fcc iron is also confirmed. To prove that the absorption of protium leads to a similar volume expansion, we constructed an isotherm x(P) of hydrogen solubility in fcc iron at T = 600∘C and H2 pressures from 4.3 to 7.4 GPa. The available ΔV (P, T) data of in situ x-ray diffraction studies of iron hydrides [T. Hiroi et al., J. Alloys Compd. 404-406, 252 (2005); H. Saitoh et al., J. Alloys Compd. 706, 520 (2017)] agree with this isotherm under the assumption that ΔV/x = 2.2 Å3/atom H. The transformation between the high-temperature fcc (γ) and low-temperature dhcp (ε′) deuterides of iron is shown to occur at 260 °C, which is approximately 100 °C lower than the temperature of the γ ↔ ε′ transformation in the Fe-H system at the same pressure of 6.3 GPa.