Hydrogen-rich hydrate at high pressures up to 104 GPa

Fuente: arXiv
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Auteurs principaux: Goncharov, Alexander F., Bykova, Elena, Batyrev, Iskander, Bykov, Maxim, Edmund, Eric, Karandikar, Amol, Mohammad, Mahmood, Chariton, Stella, Prakapenka, Vitali, Glazyrin, Konstantin, Mezouar, Mohamed, Garbarino, Gaston, Wright, Jonathan
Format: Preprint
Publié: 2025
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author Goncharov, Alexander F.
Bykova, Elena
Batyrev, Iskander
Bykov, Maxim
Edmund, Eric
Karandikar, Amol
Mohammad, Mahmood
Chariton, Stella
Prakapenka, Vitali
Glazyrin, Konstantin
Mezouar, Mohamed
Garbarino, Gaston
Wright, Jonathan
author_facet Goncharov, Alexander F.
Bykova, Elena
Batyrev, Iskander
Bykov, Maxim
Edmund, Eric
Karandikar, Amol
Mohammad, Mahmood
Chariton, Stella
Prakapenka, Vitali
Glazyrin, Konstantin
Mezouar, Mohamed
Garbarino, Gaston
Wright, Jonathan
contents Gas hydrates are considered fundamental building blocks of giant icy planets like Neptune and similar exoplanets. The existence of these materials in the interiors of giant icy planets, which are subject to high pressures and temperatures, depends on their stability relative to their constituent components. In this study, we reexamine the structural stability and hydrogen content of hydrogen hydrates, (H2O)(H2)n, up to 104 GPa, focusing on hydrogen-rich materials. Using synchrotron single-crystal X-ray diffraction, Raman spectroscopy, and first-principles theoretical calculations, we find that the C2-filled ice phase undergoes a transformation to C3-filled ice phase over a broad pressure range of 47 - 104 GPa at room temperature. The C3 phase contains twice as much molecular H2 as the C2 phase. Heating the C2-filled ice above approximately 1500 K induces the transition to the C3 phase at pressures as low as 47 GPa. Upon decompression, this phase remains metastable down to 40 GPa. These findings establish new stability limits for hydrates, with implications for hydrogen storage and the interiors of planetary bodies.
format Preprint
id arxiv_https___arxiv_org_abs_2505_07091
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Hydrogen-rich hydrate at high pressures up to 104 GPa
Goncharov, Alexander F.
Bykova, Elena
Batyrev, Iskander
Bykov, Maxim
Edmund, Eric
Karandikar, Amol
Mohammad, Mahmood
Chariton, Stella
Prakapenka, Vitali
Glazyrin, Konstantin
Mezouar, Mohamed
Garbarino, Gaston
Wright, Jonathan
Materials Science
Earth and Planetary Astrophysics
Gas hydrates are considered fundamental building blocks of giant icy planets like Neptune and similar exoplanets. The existence of these materials in the interiors of giant icy planets, which are subject to high pressures and temperatures, depends on their stability relative to their constituent components. In this study, we reexamine the structural stability and hydrogen content of hydrogen hydrates, (H2O)(H2)n, up to 104 GPa, focusing on hydrogen-rich materials. Using synchrotron single-crystal X-ray diffraction, Raman spectroscopy, and first-principles theoretical calculations, we find that the C2-filled ice phase undergoes a transformation to C3-filled ice phase over a broad pressure range of 47 - 104 GPa at room temperature. The C3 phase contains twice as much molecular H2 as the C2 phase. Heating the C2-filled ice above approximately 1500 K induces the transition to the C3 phase at pressures as low as 47 GPa. Upon decompression, this phase remains metastable down to 40 GPa. These findings establish new stability limits for hydrates, with implications for hydrogen storage and the interiors of planetary bodies.
title Hydrogen-rich hydrate at high pressures up to 104 GPa
topic Materials Science
Earth and Planetary Astrophysics
url https://arxiv.org/abs/2505.07091