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At least 19 records

A global comparison of surface and subsurface microbiomes reveals large-scale biodiversity gradients, and a marine-terrestrial divide

Subsurface environments are among Earth’s largest habitats for microbial life. Yet, until recently, we lacked adequate data to accurately differentiate between globally distributed marine and terrestrial surface and subsurface microbiomes. Here, we analyzed 478 archaeal and 964 bacterial metabarcoding datasets and 147 metagenomes from diverse and widely distributed environments. Microbial diversity is similar in marine and terrestrial microbiomes at local to global scales. However, community composition greatly differs between sea and land, corroborating a phylogenetic divide that mirrors patterns in plant and animal diversity. In contrast, community composition overlaps between surface to subsurface environments supporting a diversity continuum rather than a discrete subsurface biosphere. Differences in microbial life thus seem greater between land and sea than between surface and subsurface. Diversity of terrestrial microbiomes decreases with depth, while marine subsurface diversity and phylogenetic distance to cultured isolates rivals or exceeds that of surface environments. We identify distinct microbial community compositions but similar microbial diversity for Earth’s subsurface and surface environments.

54 ENVIRONMENTAL SCIENCES

Selective Reduction of Carbon Dioxide in Water Using [M(bpy2+)(CO)3(I)]2+ (M = Mn, Re) Electrocatalysts with Pendent Cations

Manganese(I) carbonyl complexes are promising electrocatalysts for CO2 reduction, yet their application in homogeneous aqueous media remains limited by poor solubility and selectivity. Here, we report water-soluble Mn(I) and Re(I) complexes fac-[M(bpy2+)(CO)3X]2+ (X = I or Cl), featuring bipyridine ligands functionalized with -Ph-CH2-(NMe3)+ cationic ammonium groups that integrate water solubility with secondary-sphere stabilization. In bicarbonate buffer at pH 6.8, the Mn catalyst is completely selective for CO production at a low overpotential (η = 0.3 V), operating by a protonation-first mechanism with observed rates of ~10 s−1. Pulse radiolysis reveals that the one-electron reduced Mn species undergoes dimerization in the absence of CO2 but uniquely reacts competitively with CO2 through an initial pre-equilibrium followed by fast formation of a dinuclear CO2-bridged species (ΔGo = −12.4 kcal mol−1). At a higher 0.6 V over-potential, a faster reduction-first pathway (~100 s−1) is available upon reduction of the metallo-carboxylic acid intermediate, Mn-CO2H2+; however, this regime is functionally limited by the formation of a resistive, noncatalytic film on the electrode surface. Comparison to the analo-gous water-soluble Re catalyst (kobs = 440 s−1, η = 0.6 V) highlights the distinct mechanistic ad-vantages of earth-abundant Mn in low-potential catalysis. These results demonstrate how cati-onic second-sphere design enables selective, homogeneous CO2 reduction in water while reveal-ing competing radical and electrode-mediated processes that govern catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH

Subpolar North Atlantic Water Mass Transformation and Overturning in Eddying and Non‐Eddying Simulations

Buoyancy forcing in the subpolar North Atlantic Ocean (SPNA) is an important driver of the Atlantic Meridional Overturning Circulation (AMOC). To advance understanding of the mechanisms connecting the two processes and their relative importance in sub-basins within the SPNA, we apply the Water Mass Transformation Framework to a matched-pair of forced, ocean-sea ice simulations configured at eddying and non-eddying resolution. Within the first decade of simulation, the non-eddying simulation produces a weak AMOC, ~11 Sv at 26.5 ° N, while the AMOC in the eddying simulation is more realistic and is thus analyzed for comparison. Surface water mass transformation and boundary transport are calculated in both density and temperature–salinity coordinates in three separate deep water formation regions, the Iceland Basin, the Irminger Sea and Labrador Sea, during the first decade of both simulations. We identify strong surface freshening in the Irminger and Labrador seas in the non-eddying simulation during the AMOC decline. This freshening significantly reduces the density of the surface outcrops where surface water mass formation occurs, essentially removing this contribution to deep water formation. Concurrently, boundary transports in these two regions are warmer and saltier in the non-eddying simulation compared to the eddying simulation where the density of surface water mass formation is stable. The warming and salinification of boundary transports in the non-eddying simulation is interpreted as an obstacle to deep water formation. Labrador Sea surface water mass transformation is important, despite its small contribution to buoyancy overturning.

54 ENVIRONMENTAL SCIENCES

Evidence of Recent Material Transport within a Binary Asteroid System

Images acquired by the Double Asteroid Redirection Test (DART) before its impact into Dimorphos—the moon of the Didymos binary asteroid system—unexpectedly reveal a set of discontinuous rays spanning the imaged surface. These albedo features are visible only after correcting for lighting differences, which normalize the effects of the pervasive boulders that cover the surface. Comparison to physical experiments and numerical simulations shows that these bright, fan-shaped albedo features are consistent with the aftermath of a low-velocity impact into a field of boulders and provide our first direct evidence for the transfer of material in a binary asteroid system due to the shedding material from radiative torques. Parts of these and possible additional albedo markings from the reentry of boulders after the DART impact may be visible to the Hera mission when it explores the post-DART Didymos system.

Astronomy and AstroPhysics

Effect of sintering temperature on adhesion of spray-on piezoelectric transducers

Conventionally sol-gel spray-on transducers require a high-temperature (> 700 ◦C) sintering process; however, this process can affect the microstructure of the substrate material. For mechanical elbows and valves utilized for fluid transport in the energy sector, the components are designed to have a specific microstructure, and deviations from these specifications can create weak points in the system. For this reason it is important to investigate how the temperature of the deposition process affects the substrate. This paper investigates the effect of high-temperature and low-temperature (< 150 ◦C) processing conditions on the surface composition of the substrate. Furthermore, the resultant transducers from high- and low-temperature fabrication processes are compared to determine if a low-temperature processing method is feasible. For these studies a sol-gel spray-on process is employed to deposit piezoelectric ceramics onto a stainless-steel 316L substrate. Energy-dispersive X-ray spectroscopy is utilized to determine the composition of the substrate surface before and after transducer deposition. Results indicate that the high-temperature processing conditions may alter the surface composition of the metal due to a diffusion of the metal into the ceramic, which results in a metal surface that is bonded to the ceramic. Furthermore, it is shown that low-temperature processing of spray-on transducers is a viable method for transducer fabrication where the resultant transducers meet the industry minimum requirement of 30 dB signalto-noise ratio. In parallel simulation calculations, finite-element method (FEM) studies were performed to model the adhesive strength of the low-temperature processed transducer to the substrate surface. Comparisons between the simulations and experiments suggest that the bond strength is much greater than the commercial gel bonds and closer to hardened epoxy glue bonds. These results indicate that spray-on transducers fabricated under lowtemperature processing conditions are a viable solution for leave-in-place monitoring of structures.

M. Sinding, Kyle

Anion Exchange Membrane Water Electrolysis Using a Catalyst-Coated Membrane Cathode

A catalyst-coated membrane (CCM) approach to electrode fabrication for high pH water electrolysis offers enhanced interfacial contact between the catalyst layer and the membrane surface in comparison to the catalyst-coated substrate (CCS) electrode configuration. The CCM facilitates enhanced ionic and water transport between the cathode and the anion exchange membrane (AEM). This advantage is particularly significant with AEM water electrolysis (compared to proton exchange membrane water electrolysis) because the cathode typically operates under dry conditions and relies solely on diffusive water transport across the AEM from the liquid-fed anode. This study presents a direct performance comparison between CCS and CCM cathode configurations using identical hydrogen evolution reaction (HER) catalysts and other components. The use of a pseudo-reference electrode integrated into the membrane electrode assembly enabled detailed analysis of the CCM cathode polarization behavior. Surface characterization provided insight into the degradation mechanisms associated with the CCM configuration. Optimization of the cathode ionomer cross-link density improved both the cathode polarization performance and the electrolysis device durability. Further optimization of the HER catalyst loading in the CCM cathode resulted in additional gains in the electrolysis efficiency. Collectively, these findings offer valuable guidance for the design and fabrication of high-performance, durable AEM electrolysis CCMs.

Water electrolysis

Evaluation of E3SM Simulated Aerosols and Aerosol‐Cloud Interactions Across GCM and Convection‐Permitting Scales

This paper introduces an Earth system modeling testbed for predicting aerosols and aerosol‐cloud interactions (ACIs) at convection‐permitting scales. Using the Energy Exascale Earth System Model (E3SM) version 2 with a four‐mode Modal Aerosol Module, we conduct simulations at 3.25 km resolution on a regionally refined mesh (RRM) across four regions with distinct aerosol and cloud regimes. Results are compared with the standard 100 km E3SM configuration and evaluated against satellite, aircraft, and ground‐based observations. We find that increasing model resolution improves heavy precipitation simulation but amplifies positive bias in light drizzle at coarse resolution. These resolution‐induced changes affect cloud and aerosol properties to varying degrees across regions. Generally, cloud cover and liquid water path (LWP) show better agreement with satellite retrievals at 3.25 km, though surface‐based comparisons suggest otherwise. Aerosol composition remains poorly represented at both resolutions. The RRM increases Aitken mode aerosol number concentrations via enhanced new particle formation. However, accumulation mode aerosols are decreased at higher resolution as aerosol removals become more efficient. This partially contributes to fewer cloud condensation nuclei (CCN) and lower cloud droplet number concentrations (N d ), which produces larger model biases in some scenarios. These findings suggest that solely increasing horizontal resolution to kilometer scales is insufficient to broadly improve aerosol and cloud predictions without concurrent advancements in physical and chemical process representations. Nonetheless, the RRM moderately improves key ACI relationships such as CCN‐N d correlation, reflecting enhanced aerosol activation representation. The LWP‐N d relationship is also better captured by RRM, suggesting a better characterization of LWP adjustment.

Huang, Meng [Pacific Northwest National Laboratory

Design and Analysis of the Open-Surface Slow Li Flow Divertor and Comparison to the Fast Li Flow Divertor

In the ongoing U.S. project, “Liquid Metal Plasma Facing Components,” sponsored by the U.S. Department of Energy, efforts have been taken to develop two open-surface divertor designs for the Fusion Nuclear Science Facility using liquid lithium (Li) as a heat and particle flux removal media. The main focus of this study is the design and analysis of a slow (~1 mm/s) and thin (<1 mm) open-surface Li flow divertor with a Li-cooled substrate, which is then compared with an earlier design of a fast (up to 10 m/s) and thick (~0.5 cm) Li flow divertor with the substrate cooled with helium. The slow Li flow divertor design is based on the original LiWall concept developed at the Princeton Plasma Physics Laboratory. Such a thin and slow Li layer can remove the particle flux by reducing the recycling flux, while the heat flux is removed mainly through the heat sink located beneath. In the present study, the heat sink is provided through a Li cooling flow inside the substrate of reduced activation ferritic/martensitic steel. By performing a multiphysics analysis with COMSOL that included liquid-metal magnetohydrodynamics (MHD), heat transfer, and structural mechanics, the impact of various factors on the divertor heat removal capability, such as Li flow velocity, MHD effects, and inlet velocity boundary condition, were examined. Based on comparisons of the two divertor designs, it was shown that the fast-flow divertor significantly outperformed the slow-flow design, whose heat removal capability was limited to ~1 to 2 MW/m2.

Jiang, Yuchen [ORNL] (ORCID:0000000283280284)

PARET/ANL (V.7.7) Verification and Validation Report

This report documents the software testing which has been performed for the PARET/ANL version 7.7 software. The software testing is based on code capabilities identified by research reactor analysts as frequently used in their safety analyses. The verification and validation procedures have been performed and documented to address the steady-state capabilities of the software, as described in Chapter 2, and the transient capabilities, as described in Chapter 3. Testing based on the comparison between PARET/ANL calculations and analytical solutions, hand calculations, or other code calculations of the test cases confirms that all the identified capabilities of the software were implemented correctly. In addition, results from code comparisons against SPERT-I and SPERT-IV experiments for various flow rates are reported for the peak power, energy release and cladding surface temperature. The comparisons showed overall good agreement for the peak power and conservative predictions of the cladding surface temperature

22 GENERAL STUDIES OF NUCLEAR REACTORS

PARET/ANL v7.7 Verification and Validation Report

This report documents the software testing which has been performed for the PARET/ANL version 7.7 software. The software testing is based on code capabilities identified by research reactor analysts as frequently used in their safety analyses. The verification and validation procedures have been performed and documented to address the steady-state capabilities of the software, as described in Chapter 2, and the transient capabilities, as described in Chapter 3. Testing based on the comparison between PARET/ANL calculations and analytical solutions, hand calculations, or other code calculations of the test cases confirms that all the identified capabilities of the software were implemented correctly. In addition, results from code comparisons against SPERT-I and SPERT-IV experiments for various flow rates are reported for the peak power, energy release and cladding surface temperature. The comparisons showed overall good agreement for the peak power and conservative predictions of the cladding surface temperature.

22 GENERAL STUDIES OF NUCLEAR REACTORS

A 30-yr high-resolution weather research and forecasting model downscaling data over California and Nevada

This dataset presents a 30-year high resolution meteorological dataset obtained using the WRF model (Advanced version Research WRF version 4.4). We used WRF and European Centre for Medium-Range Weather Forecasts Reanalysis v5 as initial and boundary conditions to generate gridded meteorological variables. A large number of surface weather stations was used for model validation. A multi-physics analysis was first developed to identify a good physics suite extended from 6 November 00 UTC to 10 November 23 UTC, 2018, which included the Camp Fire in northern California. Based on the best physics suite, the downscaling dataset extends from 1 December to 28 February, 1990–2021 and the horizontal domain has 1.5 km grid spacing covering the entire states of California and Nevada in the United States. Comparisons between hourly surface observations and WRF simulations of air temperature, relative humidity and wind speeds show mean absolute errors on the order of (1.6-2.0 C), (10 %) and 1.2–1.5 m s -1 , respectively.

54 ENVIRONMENTAL SCIENCES

A quantitative comparison of the fingerprint of twinned microstructures through surface and three-dimensional techniques

Assessing the fingerprint of a material’s microstructure is key for supporting materials design. With the emergence of a wide range of 3D characterization techniques, it is critical to understand the main differences in fingerprints reconstructed from 2D and 3D datasets. To this end, we introduce a graph-based microstructure reconstruction framework that enables structural comparisons of twin domain networks in high purity Ti using 3D and 2D electron backscatter diffraction. Insights into the structure of the twin networks are facilitated by combining statistical analysis of twin crystallography with visual and graphical analysis of the novel graph abstractions of the twins. We demonstrate that compared to 3D reconstructions, conventional 2D views of twinning miss key aspects of the microstructure including the high interconnectivity of domains into networks that span the full reconstruction volume. The reduced cross-grain and in-grain twin connectivity typically observed in 2D has notable implications on our understanding of how twinning mediates the plastic response of microstructures and how twin networks evolve. It is thus clear that 3D characterization is critical for accurately inferring both twin network morphologies as well as the key unit processes facilitating network formation.

36 MATERIALS SCIENCE

Obtaining bulk-like correlated oxide surfaces with protective caps

Functional oxides exhibit a diverse range of correlated electron phenomena, some of which are highly attractive for novel electronic, magnetic, and optical devices. Despite decades of advancement of our fundamental understanding of these materials, they consistently fall short of realizing their promise in functional devices. We identify a significant bottleneck toward device realization to be surface overoxidation. Protective caps can effectively prevent overoxidation, but their interfaces with functional oxides are not well understood. These interfaces are critical for effectively using functional oxides in field-effect devices, where “the interface is the device.” This work addresses the chemistry and physics of the interface between protective caps and the correlated metal SrVO3, a model functional oxide. Our comparison of five different cap materials reveals effective protection and similar SrVO3 surface chemistry in all cases. Systematic comparisons of surface and bulk-sensitive photoelectron spectra reveal that negligible interface redox takes place, elucidating the cap-SrVO3 interface chemistry. This work demonstrates a robust and simple solution to the surface overoxidation problem in vanadates, paving the way toward effectively using these materials in field-effect devices. Our conclusions are general and can be applied to numerous other systems, thus moving oxide electronics closer to the realization of functional devices.

Cohen, Amit (ORCID:0009000276477510)

Nodal hybridization in a two-dimensional heavy-fermion material

Metals with partially filled core atomic shells can form quasiparticles at a low temperature arising from the hybridization of the core level and conduction electrons. The thermodynamic and spectroscopic properties of these metals can be understood as those of a simple metal, but with a significant mass enhancement over the free electron mass—commonly referred to as heavy fermions. In most heavy-fermion materials, the hybridization is approximately isotropic in position and momentum space. However, a combination of low dimensionality and symmetry properties of the core-level wavefunctions can give rise to highly anisotropic electronic interactions with the conduction electrons. Here, in this study, we demonstrate anisotropic hybridization that vanishes along specific directions in momentum space—referred to as nodes—in a lanthanide-based two-dimensional van der Waals heavy-fermion compound, CeSiI. Quasiparticle interference measurements reveal a set of discrete hotspots with high spectral intensity on the Fermi surface. Theoretical modelling and comparison with the quasiparticle interference pattern of the non-heavy-fermion isostructural analogue LaSiI suggest that these features arise from an unconventional electron interaction involving hybridization nodes unique to CeSiI. As a result, the effective mass of the quasiparticles varies by orders of magnitude depending on their direction in momentum space.

36 MATERIALS SCIENCE

Ab initio investigation of a hypersonic double cone experiment

This article presents a direct molecular simulation (DMS) of a reactive Mach 8.2 oxygen flow over a double cone geometry. The free stream conditions and article configuration generate a flow with thermal and chemical nonequilibrium, which are common attributes of hypersonic flight. This scenario was first studied experimentally at Calspan University of Buffalo Research Center’s test facility. DMS is a particle method that uses quantum mechanically derived interaction potentials to simulate molecular collisions within a flow field. Since these interaction potentials are the only modeling inputs used in the simulation, all flow features can solely be attributed to the ab initio potential energy surfaces. Hence, providing a comparison of a hypersonic ground test and numerical data anchored to quantum mechanics. The fundamental nature of DMS is leveraged to investigate molecular level mechanisms prevalent in the flow, and comparisons with lower fidelity simulations are presented to highlight the role of these first principles calculations as benchmark solutions.

Science & Technology - Other Topics

An improved method for quantitatively measuring antifouling coating performance using a mussel single thread tensile adhesion test

Surface biofouling reduces the efficiency and lifespan of equipment across many industries. The development of high-performance antifouling surfaces, such as foul release coatings, benefits from test methods that can quickly identify superior antifouling surfaces in the laboratory during material development. Existing test methods poorly discriminate between different foul release coatings. Here is presented a method to assess the ability of surfaces to resist mussel adhesion using a quantitative, controlled single thread adhesion test (STAT) method, allowing for meaningful comparisons between low adhesion foul release surfaces. This method provides greater accuracy and finer resolution than push-based mussel shear adhesion methods without the difficulties associated with mussel size, thread attachment angle, or harming the mussels. The single thread tensile method is demonstrated on a variety of standard and high-performance coatings, and it is shown that the method detects differentiation between commercial foul release coatings that could not be resolved using other methods.

42 ENGINEERING

miniDOT Logger Dissolved Oxygen and Temperature Data of Wetland Surface Water, Old Woman Creek NERR, Huron, OH, 2022-06-15 to 2023-12-15

This dataset contains timeseries data of dissolved oxygen (DO) and temperature measurements of the surface water in a wetland at Old Woman Creek Estuarine Research Reserve in Huron, OH. Dissolved oxygen and temperature measurements were made in the overlying water column of wetland to assess how oxygen changed over time with hydrological events. Measurements were collected by a miniDOT Logger. Data was collected over 1.5 years (June 2022 to December 2023). The miniDOT_DO_Temp_DataFile.csv contains the DO and temperature measurements that were collected every 10 minutes. The water levels of the site varied over-time as the wetland flooded and dried. So, sometimes the miniDOT logger would be out of the water column, resulting in high oxygen levels. Depth of the water column was recorded at every in-person site visit. The miniDOT_Depth_DataFile.csv contains the hand-measured surface water depth measurements for comparison to the logger-collected data. Information on the deployment and measurement methods can be found in the miniDOT_InstallationMethods.csv file.

54 ENVIRONMENTAL SCIENCES