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At least 19 records

Superionic iron oxide–hydroxide in Earth’s deep mantle

Water ice becomes a superionic phase under the high pressure and temperature conditions of deep planetary interiors of ice planets such as Neptune and Uranus, which affects interior structures and generates magnetic fields. The solid Earth, however, contains only hydrous minerals with a negligible amount of ice. Here we combine high pressure and temperature electrical conductivity experiments, Raman spectroscopy and first-principles simulations to investigate the state of hydrogen in the pyrite-type FeO 2 H x (x ≤ 1), which is a potential H-bearing phase near the core–mantle boundary. We find that when the pressure increases beyond 73 GPa at room temperature, symmetric hydroxyl bonds are softened and the H + (or proton) becomes diffusive within the vicinity of its crystallographic site. Increasing temperature under pressure, the diffusivity of hydrogen is extended beyond the individual unit cell to cover the entire solid, and the electrical conductivity soars, indicating a transition to the superionic state, which is characterized by freely moving protons and a solid FeO 2 lattice. Furthermore, the highly diffusive hydrogen provides fresh transport mechanisms for charge and mass, which dictate the geophysical behaviours of electrical conductivity and magnetism, as well as geochemical processes of redox, hydrogen circulation and hydrogen isotopic mixing in Earth’s deep mantle.

58 GEOSCIENCES↗

Experimental Pathways for Detecting Double Superionicity in Planetary Ices

The ice giant planets Uranus and Neptune are assumed to contain large amounts of planetary ices such as water, methane, and ammonia. The properties of mixtures of such ices at the extreme pressures and temperatures of planetary interiors are not yet well understood. Ab initio computer simulations have predicted that a number of ices exhibit a hydrogen superionic state and a doubly superionic state. Since the latter state has not yet been generated with experiments, we outline here two possible pathways for reaching and detecting such a state with dynamic compression experiments. Here, we suggest X-ray diffraction as the principal tool for detecting when the material becomes doubly superionic and the sublattice of one of the heavy nuclei melts. That would require a temperature of ~3500 K and pressures greater than ~200 GPa for H 3 NO 4 , which we use as an example material here. Such conditions can be reached with experiments that employ an initial shock that is followed by a ramp compression wave. Alternatively, one may use triple-shock compression because a single shock does not yield sufficiently high densities.

Neptune↗

Dynamic compression of water to conditions in ice giant interiors

Abstract Recent discoveries of water-rich Neptune-like exoplanets require a more detailed understanding of the phase diagram of H 2 O at pressure–temperature conditions relevant to their planetary interiors. The unusual non-dipolar magnetic fields of ice giant planets, produced by convecting liquid ionic water, are influenced by exotic high-pressure states of H 2 O—yet the structure of ice in this state is challenging to determine experimentally. Here we present X-ray diffraction evidence of a body-centered cubic (BCC) structured H 2 O ice at 200 GPa and ~ 5000 K, deemed ice XIX, using the X-ray Free Electron Laser of the Linac Coherent Light Source to probe the structure of the oxygen sub-lattice during dynamic compression. Although several cubic or orthorhombic structures have been predicted to be the stable structure at these conditions, we show this BCC ice phase is stable to multi-Mbar pressures and temperatures near the melt boundary. This suggests variable and increased electrical conductivity to greater depths in ice giant planets that may promote the generation of multipolar magnetic fields.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A first-principles machine-learning force field for heterogeneous ice nucleation on microcline feldspar

The formation of ice in the atmosphere affects precipitation and cloud properties, and plays a key role in the climate of our planet. Although ice can form directly from liquid water at deeply supercooled conditions, the presence of foreign particles can aid ice formation at much warmer temperatures. Over the past decade, experiments have highlighted the remarkable efficiency of feldspar minerals as ice nuclei compared to other particles present in the atmosphere. However, the exact mechanism of ice formation on feldspar surfaces has yet to be fully understood. Here, we develop a first-principles machine-learning model for the potential energy surface aimed at studying ice nucleation at microcline feldspar surfaces. The model is able to reproduce with high-fidelity the energies and forces derived from density-functional theory (DFT) based on the SCAN exchange and correlation functional. Our training set includes configurations of bulk supercooled water, hexagonal and cubic ice, microcline, and fully-hydroxylated feldspar surfaces exposed to vacuum, liquid water, and ice. In this work, we apply the machine-learning force field to study different fully-hydroxylated terminations of the (100), (010), and (001) surfaces of microcline exposed to vacuum. Our calculations suggest that terminations that do not minimize the number of broken bonds are preferred in vacuum. We also study the structure of supercooled liquid water in contact with microcline surfaces, and find that water density correlations extend up to around 10 Å from the surfaces. Finally, we show that the force field maintains a high accuracy during the simulation of ice formation at microcline surfaces, even for large systems of around 30,000 atoms. Future work will be directed towards the calculation of nucleation free energy barriers and rates using the force field developed herein, and understanding the role of different microcline surfaces on ice nucleation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Phase transition kinetics of superionic H2O ice phases revealed by Megahertz X-ray free-electron laser-heating experiments

Abstract H 2 O transforms to two forms of superionic (SI) ice at high pressures and temperatures, which contain highly mobile protons within a solid oxygen sublattice. Yet the stability field of both phases remains debated. Here, we present the results of an ultrafast X-ray heating study utilizing MHz pulse trains produced by the European X-ray Free Electron Laser to create high temperature states of H 2 O, which were probed using X-ray diffraction during dynamic cooling. We confirm an isostructural transition during heating in the 26-69 GPa range, consistent with the formation of SI-bcc. In contrast to prior work, SI-fcc was observed exclusively above ~50 GPa, despite evidence of melting at lower pressures. The absence of SI-fcc in lower pressure runs is attributed to short heating timescales and the pressure-temperature path induced by the pump-probe heating scheme in which H 2 O was heated above its melting temperature before the observation of quenched crystalline states, based on the earlier theoretical prediction that SI-bcc nucleates more readily from the fluid than SI-fcc. Our results may have implications for the stability of SI phases in ice-rich planets, for example during dynamic freezing, where the preferential crystallization of SI-bcc may result in distinct physical properties across mantle ice layers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Machine learning the electric field response of condensed phase systems using perturbed neural network potentials

Abstract The interaction of condensed phase systems with external electric fields is of major importance in a myriad of processes in nature and technology, ranging from the field-directed motion of cells (galvanotaxis), to geochemistry and the formation of ice phases on planets, to field-directed chemical catalysis and energy storage and conversion systems including supercapacitors, batteries and solar cells. Molecular simulation in the presence of electric fields would give important atomistic insight into these processes but applications of the most accurate methods such as ab-initio molecular dynamics (AIMD) are limited in scope by their computational expense. Here we introduce Perturbed Neural Network Potential Molecular Dynamics (PNNP MD) to push back the accessible time and length scales of such simulations. We demonstrate that important dielectric properties of liquid water including the field-induced relaxation dynamics, the dielectric constant and the field-dependent IR spectrum can be machine learned up to surprisingly high field strengths of about 0.2 V Å −1 without loss in accuracy when compared to ab-initio molecular dynamics. This is remarkable because, in contrast to most previous approaches, the two neural networks on which PNNP MD is based are exclusively trained on molecular configurations sampled from zero-field MD simulations, demonstrating that the networks not only interpolate but also reliably extrapolate the field response. PNNP MD is based on rigorous theory yet it is simple, general, modular, and systematically improvable allowing us to obtain atomistic insight into the interaction of a wide range of condensed phase systems with external electric fields.

Science & Technology - Other Topics↗

Implications of an improved water equation of state for water-rich planets

Water (H 2 O), in all forms, is an important constituent in planetary bodies, controlling habitability and influencing geological activity. Under conditions found in the interior of many planets, as the pressure increases, the H-bonds in water gradually weaken and are replaced by ionic bonds. Recent experimental measurements of the water equation of state (EOS) showed both a new phase of H-bonded water ice, ice-VIIt, and a relatively low transition pressure just above 30 GPa to ionic bonded ice-X, which has a bulk modulus 2.5 times larger. The higher bulk modulus of ice-X produces larger planets for a given mass, thereby either reducing the atmospheric contribution to the volume of many exoplanets or limiting their water content. We investigate the impact of the new EOS measurements on the planetary mass–radius relation and interior structure for water-rich planets. We find that the change in the planet mass–radius relation caused by the systematic differences between previous and new experimental EOS measurements is comparable to the observational uncertainties in some planet sizes – an issue that will become more important as observations continue to improve.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Evidence that the Hot Jupiter WASP-77 A b Formed Beyond Its Parent Protoplanetary Disk’s H2O Ice Line

Idealized protoplanetary disk and giant planet formation models have been interpreted to suggest that a giant planet's atmospheric abundances can be used to infer its formation location in its parent protoplanetary disk. It has recently been reported that the hot Jupiter WASP-77 A b has subsolar atmospheric carbon and oxygen abundances with a solar C/O abundance ratio. Assuming solar carbon and oxygen abundances for its host star WASP-77 A, WASP-77 A b's atmospheric carbon and oxygen abundances possibly indicate that it accreted its envelope interior to its parent protoplanetary disk's H 2 O ice line from carbon-depleted gas with little subsequent planetesimal accretion or core erosion. We show that the photospheric abundances of carbon and oxygen in WASP-77 A are supersolar with a subsolar C/O abundance ratio, implying that WASP-77 A b's atmosphere has significantly substellar carbon and oxygen abundances with a superstellar C/O ratio. Our result possibly indicates that WASP-77 A b's envelope was accreted by the planet beyond its parent protoplanetary disk's H 2 O ice line. While numerous theoretical complications to these idealized models have now been identified, the possibility of nonsolar protoplanetary disk abundance ratios confound even the most sophisticated protoplanetary disk and giant planet formation models. We therefore argue that giant planet atmospheric abundance ratios can only be meaningfully interpreted relative to the possibly nonsolar mean compositions of their parent protoplanetary disks as recorded in the photospheric abundances of their dwarf host stars.

79 ASTRONOMY AND ASTROPHYSICS↗

New Perspectives on the Exoplanet Radius Gap from a Mathematica Tool and Visualized Water Equation of State

Recent astronomical observations obtained with the Kepler and TESS missions and their related ground-based follow-ups revealed an abundance of exoplanets with a size intermediate between Earth and Neptune (1 R ⊕ ≤ R ≤ 4 R ⊕ ). A low occurrence rate of planets has been identified at around twice the size of Earth (2 × R ⊕ ), known as the exoplanet radius gap or radius valley. We explore the geometry of this gap in the mass–radius diagram, with the help of a Mathematica plotting tool developed with the capability of manipulating exoplanet data in multidimensional parameter space, and with the help of visualized water equations of state in the temperature–density (T–ρ) graph and the entropy–pressure (s–P) graph. We show that the radius valley can be explained by a compositional difference between smaller, predominantly rocky planets (<2 × R ⊕ ) and larger planets (>2 × R ⊕ ) that exhibit greater compositional diversity including cosmic ices (water, ammonia, methane, etc.) and gaseous envelopes. In particular, among the larger planets (>2 × R ⊕ ), when viewed from the perspective of planet equilibrium temperature (T eq ), the hot ones (T eq ≳ 900 K) are consistent with ice-dominated composition without significant gaseous envelopes, while the cold ones (T eq ≲ 900 K) have more diverse compositions, including various amounts of gaseous envelopes.

79 ASTRONOMY AND ASTROPHYSICS↗

A giant planet candidate transiting a white dwarf

Astronomers have discovered thousands of planets outside the Solar System1, most of which orbit stars that will eventually evolve into red giants and then into white dwarfs. During the red giant phase, any close-orbiting planets will be engulfed by the star2, but more distant planets can survive this phase and remain in orbit around the white dwarf3,4. Some white dwarfs show evidence for rocky material floating in their atmospheres5, in warm debris disks6,7,8,9 or orbiting very closely10,11,12, which has been interpreted as the debris of rocky planets that were scattered inwards and tidally disrupted13. Recently, the discovery of a gaseous debris disk with a composition similar to that of ice giant planets14 demonstrated that massive planets might also find their way into tight orbits around white dwarfs, but it is unclear whether these planets can survive the journey. So far, no intact planets have been detected in close orbits around white dwarfs. Here we report the observation of a giant planet candidate transiting the white dwarf WD 1856+534 (TIC 267574918) every 1.4 days. We observed and modelled the periodic dimming of the white dwarf caused by the planet candidate passing in front of the star in its orbit. The planet candidate is roughly the same size as Jupiter and is no more than 14 times as massive (with 95 per cent confidence). Other cases of white dwarfs with close brown dwarf or stellar companions are explained as the consequence of common-envelope evolution, wherein the original orbit is enveloped during the red giant phase and shrinks owing to friction. In this case, however, the long orbital period (compared with other white dwarfs with close brown dwarf or stellar companions) and low mass of the planet candidate make common-envelope evolution less likely. Instead, our findings for the WD 1856+534 system indicate that giant planets can be scattered into tight orbits without being tidally disrupted, motivating the search for smaller transiting planets around white dwarfs.

79 ASTRONOMY AND ASTROPHYSICS↗

The effect of atmospheric transmissivity on model and observational estimates of the sea ice albedo feedback

The sea-ice-albedo feedback (SIAF) is the product of the ice sensitivity (IS) – how much the surface albedo in sea-ice regions changes as the planet warms– and the radiative sensitivity (RS) – how much the top of atmosphere radiation changes as the surface albedo changes. We demonstrate that the RS calculated from radiative kernels in climate models is reproduced from calculations using the “approximate partial radiative perturbation” method that uses the climatological radiative fluxes at the top of atmosphere and the assumption that the atmosphere is isotropic to shortwave radiation. This method facilitates the comparison of RS from satellite-based estimates of climatological radiative fluxes with RS estimates across a full suite of coupled climate models and, thus, allows model evaluation of a quantity important in characterizing the climate impact of sea ice concentration changes. The satellite based RS is within the model range of RS that differs by a factor of two across climate models in both the Arctic and Southern Ocean. Observed trends in Arctic sea ice are used to estimate IS which, in conjunction with the satellite-based RS yields an SIAF of 0.16 ± 0.04 W m-2 K-1. This Arctic SIAF estimate suggests a modest amplification of future global surface temperature change by approximately 14% relative to a climate system with no SIAF. We calculate the global albedo feedback in climate models using model specific RS and IS and find a model mean feedback parameter of 0.37 W m-2 K-1 which is 40% larger than the IPCC AR5 estimate based on using RS calculated from radiative kernel calculations in a single climate model.

Arctic, Antarctic, climate change, Climate & Earth↗

The Epoch of Giant Planet Migration Planet Search Program. I. Near-infrared Radial Velocity Jitter of Young Sun-like Stars

We present early results from the Epoch of Giant Planet Migration program, a precise radial velocity (RV) survey of more than 100 intermediate-age (∼20–200 Myr) G and K dwarfs with the Habitable Zone Planet Finder spectrograph (HPF) at McDonald Observatory’s Hobby–Eberly Telescope. The goals of this program are to determine the timescale and dominant physical mechanism of giant planet migration interior to the water ice line of Sun-like stars. Here, we summarize results from the first 14 months of this program, with a focus on our custom RV pipeline for HPF, a measurement of the intrinsic near-infrared RV activity of young Solar analogs, and modeling the underlying population-level distribution of stellar jitter. We demonstrate on-sky stability at the sub-2 m s{sup −1} level for the K2 standard HD 3765 using a least-squares matching method to extract precise RVs. Based on a subsample of 29 stars with at least three RV measurements from our program, we find a median rms level of 34 m s{sup −1}. This is nearly a factor of 2 lower than the median rms level in the optical of 60 m s{sup −1} for a comparison sample with similar ages and spectral types as our targets. The observed near-infrared jitter measurements for this subsample are well reproduced with a log-normal parent distribution with μ = 4.15 and σ = 1.02. Finally, by compiling rms values from previous planet search programs, we show that near-infrared jitter for G and K dwarfs generally decays with age in a similar fashion to optical wavelengths, albeit with a shallower slope and lower overall values for ages ≲1 Gyr.

79 ASTRONOMY AND ASTROPHYSICS↗

NSA Site Science: Use of ARM Observations from Northern Alaska to Evaluate and Improve Prediction Capabilities

The Arctic is warming at a rate nearly double that of the rest of the planet, leading to profound changes in atmospheric, oceanic, and ice processes. The U.S. Department of Energy's (DOE) Atmospheric Radiation Measurement (ARM) user facility has played a significant role in Arctic research, operating observatories in Alaska's North Slope for over 25 years. These observatories provide a rich, and wide-reaching dataset that offers insight into atmospheric processes in northern Alaska. This report details the results of a nine-year research project (2015–2024) supported by the DOE Atmospheric Systems Research (ASR) program, that leverages data from ARM’s deployment of observing facilities at Utqiaġvik (known as the North Slope of Alaska, or NSA, site) and Oliktok Point, Alaska. The project was conducted in two phases: - Phase 1 (2015–2019): Focused on understanding key atmospheric processes at Oliktok Point, including cloud formation, high-latitude precipitation, aerosol-cloud interactions, and cloud properties. - Phase 2 (2019–2024): Extended the research to the broader North Slope region, using data from both Oliktok Point and Utqiaġvik. Topics explored included surface energy budgets, atmospheric stability, ice nucleation processes, and microphysics in Arctic clouds. The project resulted in numerous research products, including 50 peer-reviewed publications and dissertations, 169 presentations, and 10 data products. These products cover a variety of topics, including: - Cloud Macro- and Microphysical Properties: Arctic clouds play a crucial role in energy transfer, and accurate representation in models is critical. The study explored cloud transitions, ice crystal shapes, and dual-wavelength radar data to understand ice crystal habits and size distributions. - Aerosol Properties and Processes: The team examined aerosol sources in the Arctic, including industrial emissions and natural sources. Observations showed significant spatial gradients in aerosol concentrations due to human activities and wildfire smoke. The influence of aerosols on cloud formation and the surface energy budget was also assessed. - Aerosol-Cloud Interactions: Research revealed that aerosols might suppress cloud ice production, affecting cloud radiative forcing and precipitation. The impact of local industrial emissions on cloud properties was also investigated. - Contextualizing the North Slope of Alaska in the context of the broader Arctic: To understand broader trends, the project evaluated large-scale circulation patterns and the influence of weather systems on the Arctic. Studies indicated that large-scale processes play a significant role in temperature patterns and the timing of snowmelt. - Advancing ARM Observational and Modeling Capabilities: The project developed new radar data products and advanced measurement techniques, including clutter mitigation and drizzle detection. Uncrewed aerial systems (UAS) and tethered balloon systems (TBS) were deployed to gather detailed atmospheric data. Additionally, the project supported 10 early career scientists, providing training and mentorship to undergraduate interns, graduate students, postdoctoral researchers, and early career researchers. These efforts contributed to the advancement of ARM research capabilities and fostered a new generation of scientists skilled in Arctic atmospheric research. Ultimately, this ASR-supported project has provided valuable insights into Arctic atmospheric processes and their broader climate implications. Recommendations for future work include continuing support for long-term observing at Arctic locations to foster additional research, further exploration of aerosol-cloud interactions and the potential impacts of enhanced industrialization of the Arctic, and expanded use of uncrewed systems to gather data in this remote and harsh environment. Additionally, the data products developed by this work, and the data products developed through the ARM infrastructure, leave a treasure-trove of additional information that should be explored for many years to come to gain additional insight into physical processes in the Arctic atmosphere that drive the rapid changes occurring in at high latitudes and their global impact.

58 GEOSCIENCES↗

Formation and Evolution Simulations of Saturn, Including Composition Gradients and Helium Immiscibility

In this paper, the formation of Saturn is modeled by detailed numerical simulations according to the core-nucleated accretion scenario. Previous models are enhanced to include the dissolution of accreting planetesimals, composed of water ice, rock, and iron, in the gaseous envelope of the planet, leading to a nonuniform composition with depth. The immiscibility of helium in metallic hydrogen layers is also considered. The calculations start at a mass of 0.5 Earth masses and are extended to the present day. At 4.57 Gyr, the model, proceeding outward, has the following structure: (i) a central core composed of 100% heavy elements and molecules, (ii) a region with a decreasing heavy-element mass fraction, down to a value of 0.1, (iii) a layer of uniform composition with the helium mass fraction Y enhanced over the primordial value, (iv) a helium rain region with a gradient in Y, (v) an outer convective, adiabatic region with uniform composition in which Y is reduced from the primordial value, and (vi) the very outer layers where cloud condensation of the heavy elements occurs. Models of the distribution of heavy elements as a function of radius are compared with those derived to fit the observations of the Cassini mission, with rough qualitative agreement. The helium mass fraction in Saturn’s outer layers is estimated to be around 20%. Models are found that provide good agreement with Saturn’s intrinsic luminosity and radius.

79 ASTRONOMY AND ASTROPHYSICS↗

Observation of a mixed close-packed structure in superionic water

The study of superionic (SI) water has been a highly active research area since its theoretical prediction. Despite significant experimental and computational efforts, its melting curve and the stability of different oxygen lattices remain debated, impacting our understanding of SI ice’s peculiar transport properties. Experimental results at lower pressures show disagreement, whereas data at higher pressures are scarce due to the extreme challenges of such experiments. In this work, we present ultrafast X-ray diffraction results of water compressed by multiple shocks to pressures up to ~ 180 GPa. At pressures exceeding 150 GPa and temperatures around 2500 K, our diffraction patterns challenge the pure FCC-SI phase model, providing experimental evidence of the mixed close-packed superionic phase predicted by advanced ab initio calculations. At lower pressures, we observe simultaneous signatures of BCC and FCC structures within a pressure-temperature range consistent with some static-compression experiments, helping to resolve contradictory results in literature. These insights offer new constraints on the stability domains of SI phases and reveal detailed structural features, such as stacking faults. Our results advance the structural understanding of high-pressure SI ice to a level approaching that of ice I polymorphs, with potential implications for water-rich interiors of giant planets.

Andriambariarijaona, Leon [Centre National de la R↗

Miscibility of rock and ice in the interiors of water worlds

Abstract Super-Earths and sub-Neptunes are the most common planet types in our galaxy. A subset of these planets is predicted to be water worlds, bodies that are rich in water and poor in hydrogen gas. The interior structures of water worlds have been assumed to consist of water surrounding a rocky mantle and iron core. In small planets, water and rock form distinct layers with limited incorporation of water into silicate phases, but these materials may interact differently during the growth and evolution of water worlds due to greater interior pressures and temperatures. Here, we use density functional molecular dynamics (DFT-MD) simulations to study the miscibility and interactions of enstatite (MgSiO 3 ), a major end-member silicate phase, and water (H 2 O) at extreme conditions in water world interiors. We explore pressures ranging from 30 to 120 GPa and temperatures from 500 to 8000 K. Our results demonstrate that enstatite and water are miscible in all proportions if the temperature exceeds the melting point of MgSiO 3 . Furthermore, we performed smoothed particle hydrodynamics simulations to demonstrate that the conditions necessary for rock-water miscibility are reached during giant impacts between water-rich bodies of 0.7–4.7 Earth masses. Our simulations lead to water worlds that include a mixed layer of rock and water.

79 ASTRONOMY AND ASTROPHYSICS↗

Greater committed warming after accounting for the pattern effect

Our planet’s energy balance is sensitive to spatial inhomogeneities in sea surface temperature and sea ice changes, but this is typically ignored in climate projections. Here, we show the energy budget during recent decades can be closed by combining changes in effective radiative forcing, linear radiative damping and this pattern effect. The pattern effect is of comparable magnitude but opposite sign to Earth’s net energy imbalance in the 2000s, indicating its importance when predicting the future climate on the basis of observations. Additionally, after the pattern effect is accounted for, the best-estimate value of committed global warming at present-day forcing rises from 1.31 K (0.99–2.33 K, 5th–95th percentile) to over 2 K, and committed warming in 2100 with constant long-lived forcing increases from 1.32 K (0.94–2.03 K) to over 1.5 K, although the magnitude is sensitive to sea surface temperature dataset. Further constraints on the pattern effect are needed to reduce climate projection uncertainty.

58 GEOSCIENCES↗