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We present results on photochemistry of carbon-grains/water-ice mixtures at temperatures from 10 to 150 K. Such a temperature range corresponds to the physical conditions found in molecular clouds, hot cores and corinos, protostellar envelopes, and planet-forming and debris disks. We demonstrate that UV irradiation of carbon-grains/water-ice mixtures leads to the formation of CO2, which, beyond the desorption temperature of CO2 partly escapes into the gas phase, and partly remains trapped on the surface of grains. Thus, we present the first direct evidence of the efficient formation of CO2 on carbon surfaces covered by water ice at high temperatures (up to 150 K) leading to a conclusion that the known low-temperature formation route of CO2 remains valid at high temperatures as long as H2O is present on carbon grains. Moreover, we demonstrate an improved capability of the dust-surface/crystalline-water-ice interface (as compared to amorphous water ice) to trap CO2 in the solid state well above the CO2 desorption temperature. The high-temperature chemical pathway to CO2 may lead to the chemical erosion of carbonaceous grains in planet-forming disks, providing an alternative explanation of the loss of solid carbon in the innermost disk regions that resulted in the formation of carbon-poor Earth and other terrestrial planets in the solar system.

We investigate the underwater acoustic scattering from various distributed “ice balls” floating on the water, aiming to understand acoustic scattering in the marginal ice zone (MIZ). The MIZ, including a wide range of heterogeneous ice cover, significantly impacts acoustic propagation. We use acoustic modelling, simulation, and laboratory experiments to understand the acoustic scattering from various distributed ice balls. The acoustic scattering fields from a single sound source (90 kHz) in water are analyzed based on selected principal scattering waves between the surfaces of ice and water. The target strengths are calculated using the plate element method and physical acoustic methods, which are validated with water tank experimental data. The methodology is then extended to multiple ice ball cases, specifically considering a single ice ball, equally spaced ice balls of the same size, and randomly distributed ice balls of various sizes. Additionally, experimental measurements under similar conditions are conducted in a laboratory water tank. The scattering intensities at different receiving positions are simulated and compared with lab experiments. The results show good agreement between experimental and numerical results, with an absolute error of less than 3 dB. Scattering intensity is positively correlated with water surface reflection when the receiving angle is close to the mirror reflection angle of the incident wave. Our approach sets the groundwork for further research to address more complex ice–water interfaces with various ice covers in the MIZ.

Physics and chemistry of ice surfaces are not only of fundamental interest but also have important impacts on biological and environmental processes. As ice surfaces—particularly the two prism faces—come under greater scrutiny, it is increasingly important to connect the macroscopic faces with the molecular-level structure. The microscopic structure of the ubiquitous ice Ih crystal is well-known. It consists of stacked layers of chair-form hexagonal rings referred to as molecular hexagons. Crystallographic unit cells can be assembled into a regular right hexagonal prism. The bases are labeled crystallographic hexagons. The two hexagons are rotated 30° with respect to each other. The linkage between the familiar macroscopic shape of hexagonal snowflakes and either hexagon is not obvious per se. This report presents experimental data directly connecting the macroscopic shape of ice crystals and the microscopic hexagons. Large ice single crystals were used to fabricate samples with the basal, primary prism, or secondary prism faces exposed at the surface. In each case, the same sample was used to capture both a macroscopic etch pit image and an electron backscatter diffraction (EBSD) orientation density function (ODF) plot. Direct comparison of the etch pit image and the ODF plot compellingly connects the macroscopic etch pit hexagonal profile to the crystallographic hexagon. The most stable face at the ice–water interface is the smallest area face at the ice–vapor interface. A model based on the molecular structure of the prism faces accounts for this switch.

Purpose The stability of protein drug products frozen during fill finish operations is greatly affected by the freezing rate applied. Non-optimal freezing rates may lead to the denaturation of protein’s complex macromolecular conformation. However, limited work has been done to address the effect of different freezing rates on protein stability at nano-scale level. Methods The stability of a model protein, lysozyme, was investigated at atomic and molecular scale under varying freezing rates and moving ice-water interface. Ice seeding approach was adopted to initiate ice formation in this present simulation. Results The faster freezing rate (11–12 K/490 ns) applied resulted in overall smaller ice fraction within the simulation box with a larger freeze-concentrated liquid (FCL) region. Consequently, the faster freezing rate better maintained protein stability with less secondary structure deviations, higher hydration level and structural compactness, and less fluctuations at individual residues than observed following slow (5–6 K/490 ns) and medium (7–8 K/490 ns) freezing rates. The present study also identified the residues near and within helices 3, 6, 7, and 8 dominate the structural instability of the lysozyme at 247 K freezing temperature. Conclusions For the first time, ice formation in therapeutic protein solution was studied “non-isothermally” at different freezing rates using molecular dynamics simulations. Thus, a good understanding of freezing rates on protein instability was revealed by applying the developed computational model.

Tenebrio molitor antifreeze protein (TmAFP) was simulated with growing ice-water interfaces at a realistic melting temperature using TIP4P/Ice water model. To test compatibility of protein force fields (FFs) with TIP4P/Ice water, CHARMM, AMBER, and OPLS FFs were applied. CHARMM and AMBER FFs predict more β-sheet structure and lower diffusivity of TmAFP at the ice-water interface than does OPLS FF, indicating that β-sheet structure is important for the TmAFP-interface binding and antifreeze activity. In particular, CHARMM FF more clearly distinguishes the strengths of hydrogen bonds in the ice-binding and non-ice-binding sites of TmAFP than do other FFs, in agreement with experiments, implying that CHARMM FF can be a reasonable choice to simulate proteins with TIP4P/Ice water. Simulations of mutated TmAFPs show that for the same density of Thr residues, continuous arrangement of Thr with the distance of 0.4~0.6 nm induces the higher extent of antifreeze activity than does intermittent arrangement of Thr with larger distances. These findings suggest the choice of CHARMM FF for AFP-TIP4P/Ice simulations and help explain the relationship between Thr-residue arrangement and antifreeze activity.

The Arctic is undergoing rapid changes due to global warming, including the expansion of the marginal ice zone (MIZ), a zone of mixed ice and open water surfaces. To predict the atmospheric interaction with these surfaces, a critical process in climate models, this paper examines a simplified theoretical framework to non-dimensionalize the dynamics of the atmospheric boundary layer (ABL) over a mixed ice-water surface (MIZ–ABL). A heterogeneity Richardson number, Rih, is proposed to account for the difference in temperature between the ice and water surface in relation to the synoptic pressure gradient forcing. With the wind angle relative to the ice-water interface, α, this framework hypothesizes that these two dimensionless numbers, regardless of individual dimensional variables (surface temperature and geostrophic wind speed) are sufficient to predict the MIZ–ABL dynamics. To test this framework, large-eddy simulations were employed over half-ice and half-water surfaces, with varying surface temperatures and geostrophic wind velocities. While the surface heat fluxes over ice, water, and the aggregate surface seem to be captured reasonably well by α and Rih, the mean wind and turbulent kinetic energy (TKE) profiles were not, suggesting that not only the difference in stability between the two surface, but also the individual stabilities over each surface influence the dynamics. The wind angle had a significant impact on the results, both in terms of heat fluxes at the surface, turbulent and dispersive fluxes in the MIZ–ABL, and the structure of the secondary circulations. When wind blows perpendicular to the water-ice interface, internal boundary layers are favoured except at the highest Rih simulated. For cases with wind parallel to the interface, large rolls parallel to the shore emerge. The paper raises at least as many questions as it answers, highlighting the need for further studies of the MIZ–ABL.

In the solar system, Icy Worlds such as Europa and Enceladus hold great potential for extraterrestrial life and may provide humanity an answer, within this century, to the age-old question of life beyond Earth. Exo-AUV technology shows promise in life detection in the icy shell, at the ice-water interface and on the seafloor of exo-ocean. Space agencies, including NASA and DLR, are enthusiastic about deploying Exo-AUVs to explore life in these regions. However, the where and how to find life, the technologies to be utilized and the goals to be achieved are crucial aspects for future Exo-AUV life detection missions on Icy Worlds. This study delves into a hypothetical mission of life detection on Europa, discussing science goals, detectable objects, potential regions and biogenic analysis for Icy Worlds. It proposes a life detection strategy for Icy Worlds based on Exo-AUVs, presents key contextual elements for Exo-AUV operations, outlines technological requirements for hull, payloads and autonomy, introduces the current state of Exo-AUV research and addresses existing challenges. This study also suggests a roadmap for conceptual development of Exo-AUV and a Concept of Operations for Multiple Exo-AUV System (ConOps for MEAS). This system aims to assist planetary scientists and astrobiologists in exploring Icy Worlds, identifying robust biosignatures and potentially discovering extant organisms, even prebiotic chemical systems.

We investigate the convection and dissolution rate generated when a wall of ice dissolves into seawater under Antarctic Ocean conditions. In direct numerical simulations three coupled interface equations are used to solve for interface temperature, salinity and ablation velocity, along with the boundary layer flow and transport. The main focus is on ambient water temperatures between $-1\\,^{\\circ }\\text{C}$ and $6\\,^{\\circ }\\text{C}$ and salinities around 35 ‰, where diffusion of salt to the ice–water interface depresses the freezing point and enhances heat diffusion to the ice. We show that fluxes of both heat and salt to the interface are significant in governing the dissolution of ice, and the ablation velocity agrees well with experiments and a recent theoretical prediction. The same turbulent flow dynamics and ablation rate are expected to apply at any depth in a deeper ocean water column (after choosing the relevant pressure coefficient for the liquidus temperature). At Grashof numbers currently accessible by direct numerical simulation, turbulence is generated both directly from buoyancy flux and from shear production in the buoyancy-driven boundary layer flow, whereas shear production by the convective flow is expected to be more important at geophysical scales. The momentum balance in the boundary layer is dominated by buoyancy forcing and wall stress, with the latter characterised by a large drag coefficient.

Subglacial water bodies are critical components in analyzing the instability of the Antarctic ice sheet. Their detection and identification normally rely on geophysical and remote sensing methods such as airborne radar echo sounding (RES), ground seismic, and satellite/airborne altimetry and gravity surveys. In particular, RES surveys are able to detect basal terrain with a relatively high accuracy that can assist with the mapping of subglacial hydrology systems. Traditional RES processing methods for the identification of subglacial water bodies mostly rely on their brightness in radargrams and hydraulic flatness. In this study, we propose an automatic method with the main objective to differentiate the basal materials by quantitatively evaluating the shape of the A-scope waveform near the basal interface in RES radargrams, which has been seldom investigated. We develop an automatic algorithm mainly based on the traditional short-time Fourier transform (STFT) to quantify the shape of the A-scope waveform in radargrams. Specifically, with an appropriate window width applied on the main peak of each A-scope waveform in the RES radargram, STFT shows distinct and contrasting frequency responses at the ice-water interface and ice-rock interface, which is largely dependent upon their different reflection characteristics at the basal interface. We apply this method on 882 RES radargrams collected in the Antarctic’s Gamburtsev Province (AGAP) in East Antarctica. There are 8822 identified A-scopes with the calculated detection value larger than the set threshold, out of the overall 1,515,065 valid A-scopes in these 882 RES radargrams. Although these identified A-scopes only takes 0.58% of the overall A-scope population, they show exceptionally continuous distribution to represent the subglacial water bodies. Through a comprehensive comparison with existing inventories of subglacial lakes, we successfully verify the validity and advantages of our method in identifying subglacial water bodies using the detection probability for other basal materials of theoretically the highest along-track resolution. The frequency signature obtained by the proposed joint time–frequency analysis provides a new corridor of investigation that can be further expanded to multivariable deep learning approaches for subglacial and englacial material characterization, as well as subglacial hydrology mapping.

In the Arctic Ocean ice algae constitute a key ecosystem component and the ice algal spring bloom a critical event in the annual production cycle. The bulk of ice algal biomass is usually found in the bottom few cm of the sea ice and dominated by pennate diatoms attached to the ice matrix. Here we report a red tide of the phototrophic ciliate Mesodinium rubrum located at the ice-water interface of newly formed pack ice of the high Arctic in early spring. These planktonic ciliates are not able to attach to the ice. Based on observations and theory of fluid dynamics, we propose that convection caused by brine rejection in growing sea ice enabled M. rubrum to bloom at the ice-water interface despite the relative flow between water and ice. We argue that red tides of M. rubrum are more likely to occur under the thinning Arctic sea ice regime.