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Related papers: Same and interconvertible high-pressure ice phases

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Water exhibits rich polymorphism, where more than 20 crystalline phases have been experimentally reported. Five of them are metastable and form at low temperatures by either heating amorphous ice or degassing clathrate hydrates. However,…

The D2O ice VI to ice XV hydrogen ordering phase transition at ambient pressure is investigated in detail with neutron diffraction. The lattice constants are found to be sensitive indicators for hydrogen ordering. The a and b lattice…

Experimental studies established that calcium undergoes several counterintuitive transitions under pressure: fcc \rightarrow bcc \rightarrow simple cubic \rightarrow Ca-IV \rightarrow Ca-V, and becomes a good superconductor in the simple…

Materials Science · Physics 2015-05-20 A. R. Oganov , Y. M. Ma , Y. Xu , I. Errea , A. Bergara , A. O. Lyakhov

Using numerical simulations that mimic recent experiments on hexagonal colloidal ice, we show that colloidal hexagonal artificial spin ice exhibits an inner phase within its ice state that has not been observed previously. Under increasing…

Statistical Mechanics · Physics 2018-01-17 A. Libal , C. Nisoli , C. J. O. Reichhardt , C. Reichhardt

We have measured the lattice volume of ice VIII in different pressure-temperature pathways and found isothermal compression at low-temperature conditions makes the volume larger. Ice VIII has become its high-pressure phase with the molar…

High-pressure experiments using diamond anvils have revealed novel properties and phase behavior of H2O under extreme conditions. When contained in diamond-anvil cells, the H2O samples are usually in direct contact with the diamond anvil.…

Materials Science · Physics 2026-03-19 Pengfei Hou , Yumiao Tian , Zifeng Liu , Junwen Duan , Hanyu Liu , Xing Meng , Russell J. Hemley , Yanming Ma

We investigate the structural and thermodynamic properties of high-pressure ice by incorporating quantum anharmonicity at a non-perturbative level. Quantum fluctuations reduce the critical pressure of the phase transition between phase VIII…

Other Condensed Matter · Physics 2024-03-15 Marco Cherubini , Lorenzo Monacelli , Bingjia Yang , Roberto Car , Michele Casula , Francesco Mauri

The high-pressure behaviour of PbS was investigated by angular dispersive X-ray powder diffraction up to pressures of 6.8 GPa. Experiments were accompanied by first principles calculations at the density functional theory level. By…

Materials Science · Physics 2009-11-07 K. Knorr , L. Ehm , M. Hytha , B. Winkler , W. Depmeier

We report high pressure structural phase transformation sequence in a layered Iron-based superconducting compound FeSe0.3Te0.7 to 31 GPa at room temperature. The ambient pressure PbO type tetragonal phase (Space Group - P4/nmm) transforms…

Materials Science · Physics 2011-05-05 Andrew K. Stemshorn , Yogesh K. Vohra , Phillip M. Wu , F. C. Hsu , Y. L. Huang , M. K. Wu , K. W. Yeh

Despite relevance to disparate areas such as cloud microphysics and tribology, major gaps in the understanding of the structures and phase transitions of low-dimensional water ice remain. Here we report a first principles study of confined…

Effects of pressure and temperature on structural and thermodynamic properties of ice VII have been studied by using path-integral molecular dynamics (PIMD) simulations. Temperatures between 25 and 450 K, as well as pressures up to 12 GPa…

Chemical Physics · Physics 2015-11-30 Carlos P. Herrero , Rafael Ramirez

Transport and magnetic studies of PbTaSe$_2$ under pressure suggest existence of two superconducting phases with the low temperature phase boundary at $\sim 0.25$ GPa that is defined by a very sharp, first order, phase transition. The first…

The reversible phase transition from hydrochloric-acid-doped ice VI to its hydrogen-ordered counterpart ice XV is followed using differential scanning calorimetry. Upon cooling at ambient pressure fast hydrogen ordering is observed at first…

Materials Science · Physics 2016-05-10 Jacob J. Shephard , Christoph G. Salzmann

The phase diagram of oxygen is investigated for pressures from 50 to 130~GPa and temperatures up 1200 K using first principles theory. A metallic molecular structure with the $P6_3/mmc$ symmetry ($\eta^{'}$ phase) is determined to be…

Computational Physics · Physics 2019-02-19 S. F. Elatresh , S. A. Bonev

We investigate the high-pressure phase transitions in BiFeO3 by single crystal and powder x-ray diffraction, as well as single crystal Raman spectroscopy. Six phase transitions are reported in the 0-60 GPa range. At low pressures, up to 15…

We investigate with computer simulations the effect of applying an electric field on the water-to-ice transition. We use a combination of state-of-the-art simulation techniques to obtain phase boundaries and crystal growth rates (direct…

The premelting of ice is well known, but little is known about how the premelted and solid surfaces convert to each other. In this work, the transition dynamics between two phases are revealed with large-scale molecular dynamics…

Chemical Physics · Physics 2023-07-27 Shifan Cui , Haoxiang Chen

More than 20 crystalline and amorphous phases have been reported for ice so far. This extraordinary polymorphism of ice arises from the geometric flexibility of hydrogen bonds and hydrogen ordering, and makes ice a unique presence with its…

Measurements of temperature-dependent resistance and magnetization under hydrostatic pressures up to 2.13 GPa are reported for single-crystalline, superconducting BaBi$_3$. A temperature - pressure phase diagram is determined and the…

In the last decade five new ice phases were experimentally prepared. Two of them are empty clathrate hydrates and three of them represent hydrogen ordered counterparts of previously known disordered ice phases. Here, we report on hydrogen…