Dynamic Ionization of Water under Extreme Conditions

Goncharov, Alexander F.; Goldman, Nir; Fried, Laurence E.; Crowhurst, Jonathan C.; Kuo, I‐Feng W.; Mundy, Christopher J.; Zaug, Joseph M.

doi:10.1103/physrevlett.94.125508

Cited by 226 publications

(223 citation statements)

References 27 publications

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“…Dry ice CO2 becomes quartz-like and exhibits a rich phase diagram [437][438][439][440][441][442] [443] and pressure-induced amorphization [444,445]. With different arrangements of hydrogen bonding, H2O alone has fifteen stable phases and an additional fifteen distinctive metastable crystalline, amorphous, and fluid phases [97,267,394,396,[446][447][448][449][450][451][452][453][454][455][456][457][458][459]. Intermolecular interactions dictate the rich HP polymorphism [460] of solid oxygen.…”

Section: Phase Transitionsmentioning

confidence: 99%

High-pressure studies with x-rays using diamond anvil cells

2016

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Pressure profoundly alters all states of matter. The symbiotic development of ultrahighpressure diamond anvil cells, to compress samples to sustainable multi-megabar pressures; and synchrotron x-ray techniques, to probe materials' properties in situ, has enabled the exploration of rich high-pressure (HP) science. In this article, we first introduce the essential concept of diamond anvil cell technology, together with recent developments and its integration with other extreme environments. We then provide an overview of the latest developments in HP synchrotron techniques, their applications, and current problems, followed by a discussion of HP scientific studies using x-rays in the key multidisciplinary fields. These HP studies include: HP x-ray emission spectroscopy, which provides information on the filled electronic states of HP samples; HP x-ray Raman spectroscopy, which probes the HP chemical bonding changes of light elements; HP electronic inelastic x-ray scattering spectroscopy, which accesses high energy electronic phenomena, including electronic band structure, Fermi surface, excitons, plasmons, and their dispersions; HP resonant inelastic x-ray scattering spectroscopy, which probes shallow core excitations, multiplet structures, and spin-resolved electronic structure; HP nuclear resonant x-ray spectroscopy, which provides phonon densities of state and time-resolved Mössbauer information; HP x-ray imaging, which provides information on hierarchical structures, dynamic processes, and internal strains; HP x-ray diffraction, which determines the fundamental structures and densities of single-crystal, polycrystalline, nanocrystalline, and non-crystalline materials; and HP radial x-ray diffraction, which yields deviatoric, elastic and rheological information. Integrating these tools with hydrostatic or uniaxial pressure media, laser and resistive heating, and cryogenic cooling, has enabled investigations of the structural, vibrational, electronic, and magnetic properties of materials over a wide range of pressure-temperature conditions.

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Section: Phase Transitionsmentioning

confidence: 99%

High-pressure studies with x-rays using diamond anvil cells

2016

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“…These states of matter of ice are of great astrophysical interest because of the presence of H 2 O, one of the thermodynamic sinks of all worlds, 7 in the interior of giant gas planets. [8][9][10][11][12] However, the corresponding environments usually combine high pressures with very high temperatures, and this hot, or near-classical, melting of ice is quite different from the cold, or even quantum, melting associated purely with zero point vibrational excursions and which is of especial interest here.…”

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confidence: 99%

Isotopic differentiation and sublattice melting in dense dynamic ice

2013

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The isotopes of hydrogen provide a unique exploratory laboratory for examining the role of zero point energy (ZPE) in determining the structural and dynamic features of the crystalline ices of water. There are two critical regions of high pressure: (i) near 1 TPa and (ii) near the predicted onset of metallization at around 5 TPa. At the lower pressure of the two, we see the expected small isotopic effects on phase transitions. Near metallization, however, the effects are much greater, leading to a situation where tritiated ice could skip almost entirely a phase available to the other isotopomers. For the higher pressure ices, we investigate in some detail the enthalpics of a dynamic proton sublattice, with the corresponding structures being quite ionic. The resistance toward diffusion of single protons in the ground state structures of high-pressure H 2 O is found to be large, in fact to the point that the ZPE reservoir cannot overcome these. However, the barriers toward a three-dimensional coherent or concerted motion of protons can be much lower, and the ensuing consequences are explored.

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“…8) to values compatible with the existence of hydrogen bonding between CH 4 -a nominally apolar molecule-and H 2 O, suggesting qualitative pressure-induced changes in the chemical interaction between the two species with respect to ambient conditions. At higher pressures, reduction of the intermolecular distances leads, in pure water, to hydrogen-bond symmetrization in ice and to ionization in the fluid 10 . Ionization turns hot dense water into a highly corrosive solvent 11 with remarkable catalytic properties 12 .…”

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confidence: 99%

Mixtures of planetary ices at extreme conditions

Lee

Scandolo

2011

Nat Commun

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The interiors of neptune and uranus are believed to be primarily composed of a fluid mixture of methane and water. The mixture is subjected to pressures up to several hundred gigapascal, causing the ionization of water. Laboratory and simulation studies so far have focused on the properties of the individual components. Here we show, using first-principle molecular dynamic simulations, that the properties of the mixed fluid are qualitatively different with respect to those of its components at the same conditions. We observe a pressure-induced softening of the methane-water intermolecular repulsion that points to an enhancement of mixing under extreme conditions. Ionized water causes the progressive ionization of methane and the mixture becomes electronically conductive at milder conditions than pure water, indicating that the planetary magnetic field of uranus and neptune may originate at shallower depths than currently assumed.

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Dynamic Ionization of Water under Extreme Conditions

Cited by 226 publications

References 27 publications

High-pressure studies with x-rays using diamond anvil cells

High-pressure studies with x-rays using diamond anvil cells

Isotopic differentiation and sublattice melting in dense dynamic ice

Mixtures of planetary ices at extreme conditions

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