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Hydrogen occupation and hydrogen-induced volume expansion in Fe0.9Ni0.1Dx at high P-T conditions

Hydrogen occupation and hydrogen-induced volume expansion in Fe0.9Ni0.1Dx at high P-T conditions AbstractThe density of the Earth’s core is several percent lower than that of iron-nickel alloy under conditions of pressure and temperature equivalent to the Earth’s core. Hydrogen is one of the most promising constituents accounting for the density deficit, but hydrogen occupation sites and density decrease of iron-nickel alloy caused by hydrogenation have never been investigated. In this study, the phase relation and crystal structure of Fe0.9Ni0.1Hx(Dx) at high pressures and temperatures up to 12 GPa and 1000 K were clarified by in situ X-ray diffraction and neutron diffraction measurements. Under the P-T conditions of the present study, no deuterium atoms occupied tetragonal (T) sites of face-centered cubic (fcc) Fe0.9Ni0.1Dx, although the T-site occupation was previously reported for fcc FeHx(Dx). The deuterium-induced volume expansion per deuterium vD was determined to be 2.45(4) and 3.31(6) Å3 for fcc and hcp Fe0.9Ni0.1Dx, respectively. These vD values are significantly larger than the corresponding values for FeDx. The vD value for fcc Fe0.9Ni0.1Dx slightly increases with increasing temperature. This study suggests that only 10% of nickel in iron drastically changes the behaviors of hydrogen in metal. Assuming that vD is constant regardless of pressure, the maximum hydrogen content in the Earth’s inner core is estimated to be one to two times the amount of hydrogen in the oceans. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png American Mineralogist de Gruyter

Hydrogen occupation and hydrogen-induced volume expansion in Fe0.9Ni0.1Dx at high P-T conditions

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Publisher
de Gruyter
Copyright
© 2023 by Mineralogical Society of America
ISSN
0003-004X
eISSN
1945-3027
DOI
10.2138/am-2022-8348
Publisher site
See Article on Publisher Site

Abstract

AbstractThe density of the Earth’s core is several percent lower than that of iron-nickel alloy under conditions of pressure and temperature equivalent to the Earth’s core. Hydrogen is one of the most promising constituents accounting for the density deficit, but hydrogen occupation sites and density decrease of iron-nickel alloy caused by hydrogenation have never been investigated. In this study, the phase relation and crystal structure of Fe0.9Ni0.1Hx(Dx) at high pressures and temperatures up to 12 GPa and 1000 K were clarified by in situ X-ray diffraction and neutron diffraction measurements. Under the P-T conditions of the present study, no deuterium atoms occupied tetragonal (T) sites of face-centered cubic (fcc) Fe0.9Ni0.1Dx, although the T-site occupation was previously reported for fcc FeHx(Dx). The deuterium-induced volume expansion per deuterium vD was determined to be 2.45(4) and 3.31(6) Å3 for fcc and hcp Fe0.9Ni0.1Dx, respectively. These vD values are significantly larger than the corresponding values for FeDx. The vD value for fcc Fe0.9Ni0.1Dx slightly increases with increasing temperature. This study suggests that only 10% of nickel in iron drastically changes the behaviors of hydrogen in metal. Assuming that vD is constant regardless of pressure, the maximum hydrogen content in the Earth’s inner core is estimated to be one to two times the amount of hydrogen in the oceans.

Journal

American Mineralogist – de Gruyter

Published: Apr 1, 2023

Keywords: Neutron diffraction; high pressure; metal hydride; Earth’s core; Physics and Chemistry of Earth’s Deep Mantle and Core

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