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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Impacts of Lake Surface Temperature on the Summer Climate Over the Great Lakes Region

The surface of the Great Lakes interacts with the atmosphere, influencing the weather and climate over the Great Lakes Region (GLR). However, most climate models were not designed with sufficient emphasis on lake–atmosphere interactions, which could potentially cause model biases over the GLR. To understand how lake surface temperature (LST) affects the regional summer climate over the GLR, we conducted twin experiments using the Weather Research and Forecasting model at a spatial resolution of 4 km using two different LST data sets as the bottom boundary condition over the Great Lakes. In this work, our simulations include 10 ensemble members for the summer of 2018 and a single multiyear run for the summers of 2014–2020. Results show that variations in LST influence atmospheric temperature and moisture at a local scale—while affecting the convective environment and precipitation processes over a much larger spatial scale. In particular, an LST that is only 1°C–3°C warmer (depending on the lake) increases near-surface air temperature by 1.93°C and 0.97°C over Lake Superior and Lake Erie, respectively, and increases evaporation over the lakes by 0.23 and 1.1 mm day –1 . The warmer LST reduces mesoscale convective precipitation upstream of the GLR; however, it increases isolated deep convective precipitation and nonconvective precipitation downstream of GLR due to increased local instability and enhancement of moisture transport. Our analyses confirm the robustness of these impacts, which is at least 2 times larger than the model internal variability and is seen across all simulated summer seasons.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Coccidioides undetected in soils from agricultural land and uncorrelated with time or the greater soil fungal community on undeveloped land

Coccidioidomycosis is a typically respiratory fungal disease that, in the United States, occurs primarily in Arizona and California. In California, most coccidioidomycosis cases occur in the San Joaquin Valley, a primarily agricultural region where the disease poses a risk for outdoor workers. We collected 710 soil samples and 265 settled dust samples from nine sites in the San Joaquin Valley and examined how Coccidioides detection varied by month, site, and the presence and abundance of other fungal species. We detected Coccidioides in 89 of 238 (37.4%) rodent burrow soil samples at five undeveloped sites and were unable to detect Coccidioides in any of 472 surface and subsurface soil samples at four agricultural sites. In what is the largest sampling effort undertaken on agricultural land, our results provide no evidence that agricultural soils in the San Joaquin Valley harbor Coccidioides . We found no clear association between Coccidioides and the greater soil fungal community, but we identified 19 fungal indicator species that were significantly associated with Coccidioides detection in burrows. We also did not find a seasonal pattern in Coccidioides detection in the rodent burrow soils we sampled. These findings suggest both the presence of a spore bank and that coccidioidomycosis incidence may be more strongly associated with Coccidioides dispersal than Coccidioides growth. Finally, we were able to detect Coccidioides in only five of our 265 near-surface settled dust samples, one from agricultural land, where Coccidioides was undetected in soils, and four from undeveloped land, where Coccidioides was common in the rodent burrow soils we sampled. Our ability to detect Coccidioides in few settled dust samples indicates that improved methods are likely needed moving forward, though raises questions regarding aerial dispersal in Coccidioides , whose key transmission event likely occurs over short distances in rodent burrows from soil to naïve rodent lungs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Performance of Convection-Permitting and Convection-Parameterized Models in Reproducing the Extreme Precipitation Intensity Relationship with Surface Conditions

Here, this study investigates the warm-season extreme precipitation–temperature scaling relationship in CONUS404, a convection-permitting (4 km) Weather Research and Forecasting (WRF) Model simulation over the conterminous United States for the past four decades, and compares it with the WRF-Thermodynamic Global Warming (WRF-TGW) historical simulation at a coarser resolution (12 km) using parameterized convection. We also analyze the NCEP stage IV and NASA Integrated Multi-satellitE Retrievals for the Global Precipitation Measurement (IMERG) datasets as observational benchmarks. We examine how extreme precipitation intensity (EPI) varies with temperature and saturation deficit over representative regions based on hourly data. The stage IV and IMERG data show a similar pattern of EPI variation with temperature and saturation deficit, except that the EPI peak is lower in IMERG than in stage IV. Under dry and hot conditions, EPI decreases too rapidly with elevated saturation deficit in both CONUS404 and WRF-TGW compared to observations, but the performance of CONUS404 is superior to WRF-TGW. When the near-surface atmosphere is saturated or close to saturated, both CONUS404 and WRF-TGW produce higher peak values of EPI relative to the observational references; IMERG exhibits scaling rates close to the Clausius–Clapeyron (C–C) relationship, while CONUS404, WRF-TGW, and stage IV all demonstrate super-C–C scaling behaviors. Despite marked warming over the past four decades, in both CONUS404 and WRF-TGW, the scaling relationship between EPI and temperature in a saturated atmosphere remains stable and robust. This indicates a strong potential for the EPI–temperature scaling rate under saturation to be used as an emergent constraint in reducing uncertainties of future extreme precipitation projection.

Atmosphere↗
DOE OSTI2021

Electronic structure of LaNiO 2 and CaCuO 2 from a self-consistent vertex-corrected GW approach

In this work, the electronic structure of one of the nickelates (LaNiO 2 ) and one of the cuprates (CaCuO 2 ) is studied with three self-consistent GW-based methods: scGW, sc(GW+vertex), and quasiparticle self-consistent GW. Low-energy features obtained in our study are in many respects similar to the features reported in previous density functional theory plus dynamical mean-field theory (DFT+DMFT) studies. Consistent with the DFT+DMFT conclusion, we find LaNiO 2 to be more correlated than CaCuO 2 . However, correlation effects included in our study change the DFT Fermi surface near the Γ point differently from that reported in DMFT studies. Features that are a few electronvolts away from the Fermi level are broader in our calculations than in the DFT+DMFT, which reflects the differences between the DFT and the GW methods. Our results are in qualitative agreement with previous G0W0 results, but the self-consistency results in quantitative differences. Generally, correlation effects are found to be sufficiently weak in both materials, which allows one to use totally ab initio diagrammatic approaches such as sc(GW+Vertex) and to avoid the methods with adjustable parameters (DFT+U or DFT+DMFT). However, the possibility of some strong correlations at low energy that cannot be captured by perturbative methods cannot be completely excluded. For instance, differences in the Fermi surface should be resolved, thus experimental studies are necessary.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

A New Framework for the Attribution of Air‐Sea CO 2 Exchange

Abstract The air‐sea transfer of carbon dioxide can be viewed as a dynamic system through which atmospheric and oceanic processes push surface waters away from thermodynamic equilibrium, while diffusive gas transfer pulls them back toward local equilibrium. These push/pull processes drive significant sub‐seasonal, seasonal, and interannual variability in air‐sea carbon fluxes, the quantification of which is critical both for diagnosing the ocean response to fossil fuel emissions and for attempts to mitigate anthropogenic climate disruption through intentional modification of surface ocean biogeochemistry. In this study, we present a new approach for attributing air‐sea carbon fluxes to specific mechanisms. The new framework is first applied to a two‐box ocean nutrient and carbon cycle model as an illustrative example. Next, outputs from a regional eddy‐resolving model of the Southern Ocean are analyzed. The roles of multiple physical and biogeochemical processes are identified. The decomposition of the seasonal air‐sea carbon flux shows the dominant role of biological carbon pumps that are partially compensated by the transport convergence. Finally, the framework is used to diagnose the response to mesoscale iron and alkalinity release, explicitly quantifying transport feedback and eventual impacts on net air‐sea carbon flux. Ocean carbon transport has divergent influences between iron and alkalinity release, due to opposing near‐surface gradients of dissolved inorganic carbon. We suggest that our attribution framework may be a useful analytical technique for monitoring natural ocean carbon fluxes and quantifying the impacts of human intervention on the ocean carbon cycle.

Ito, Takamitsu [School of Earth and Atmospheric Sc↗
DOE OSTI2021

Assessing the vertical structure of Arctic aerosols using balloon-borne measurements

The rapidly warming Arctic is sensitive to perturbations in the surface energy budget, which can be caused by clouds and aerosols. However, the interactions between clouds and aerosols are poorly quantified in the Arctic, in part due to (1) limited observations of vertical structure of aerosols relative to clouds and (2) ground-based observations often being inadequate for assessing aerosol impacts on cloud formation in the characteristically stratified Arctic atmosphere. Here, we present a novel evaluation of Arctic aerosol vertical distributions using almost 3 years' worth of tethered balloon system (TBS) measurements spanning multiple seasons. The TBS was deployed at the U.S. Department of Energy Atmospheric Radiation Measurement Program's facility at Oliktok Point, Alaska. Aerosols were examined in tandem with atmospheric stability and ground-based remote sensing of cloud macrophysical properties to specifically address the representativeness of near-surface aerosols to those at cloud base. Based on a statistical analysis of the TBS profiles, ground-based aerosol number concentrations were unequal to those at cloud base 86 % of the time. Intermittent aerosol layers were observed 63 % of the time due to poorly mixed below-cloud environments, mostly found in the spring, causing a decoupling of the surface from the cloud layer. A uniform distribution of aerosol below cloud was observed only 14 % of the time due to a well-mixed below-cloud environment, mostly during the fall. The equivalent potential temperature profiles of the below-cloud environment reflected the aerosol profile 89 % of the time, whereby a mixed or stratified below-cloud environment was observed during a uniform or layered aerosol profile, respectively. In general, a combination of aerosol sources, thermodynamic structure, and wet removal processes from clouds and precipitation likely played a key role in establishing observed aerosol vertical structures. Results such as these could be used to improve future parameterizations of aerosols and their impacts on Arctic cloud formation and radiative properties.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Dynamic, Adaptive, Systems and Materials: Complex, Simple and Emergent Behaviors

This program has been funded by DoE/BES for twenty years. It has moved into and out of various subjects as it has developed, but it has retained its focus on complexity and complex systems. The project has evolved in the following way: Self-Assembly and Biomimetic Self-Assembly: All self-assembling systems depend upon a minimum of two types of interaction: a repulsion and an attraction. For the familiar molecular systems, attractive interactions are typically hydrogen bonds and electrostatic interactions. Repulsive interactions include steric effects, hydrophobic effects (in biological systems), and charge-charge repulsion. We have expanded this repertoire to include surface interactions, magnetic interactions, and others. I list these systems in the order in which we have explored them: i) A key emphasis in current work is in understanding how the movement of ions in a magnetic field (the Lorentz effect) interacts with catalytic systems. We have demonstrated that an acceleration in rate of reduction of CO 2 to CO can be accomplished by applying an external magnetic field. This acceleration is largely due to the application of the Lorentz effect on mass transport at the catalyst’s surface. ii) We have also extensively explored the influence of electrostatics, as exhibited in self-assembling systems, by tribocharging. iii) Another key system involves surface tension effects; examples include interactions between heavy particles floating at a liquid-air interface, and interacting by changes in surface area; interactions of bubbles and bubble rafts, behaviors of bubble trains in microfluidic networks, and behaviors of microorganisms in constraining environments. iv) This work has intentionally de-emphasized biological systems; but it does include some work on protein-ligand interactions and interactions among microorganisms. v) We have also explored applications of some of these effects, these explorations include bubble rafts as diffraction gratings, exploration of the structures that can be obtained by tribocharging and uses of these structures in exploring nucleation and melting of crystals. vi) Although not a major focus of this work, several other topics have emerged and offer opportunities for future work. These include the behavior of bubble trains and bubble rafts in microfluidic systems. A particularly interesting example is the formation of bubble trains that repeat in the alteration of large and small bubbles according to rules we do not presently understand, but are uniquely large-period oscillating systems. These systems offer a new route into understanding the instabilities of the type represented by oscillations. vii) We have also begun exploratory projects on magnetic levitation (especially to determine molecular density), and information storage (in molecules). Magnetic Levitation: Self-assembling and biomimetic systems require both attraction and repulsion. We have used electrostatics (tribocharging), interfacial free-energies (surface tension and related forces) and others. Potential uses include reconfigurable diffraction gratings and liquid lenses; exploration of mechanisms in tribocharging; tunneling in EGaIn junctions; and bubble trains (especially in micro-fluidic systems). Examples of systems representing these topics is included in the following papers: Complexity: Disks rotating at a water-air interface; Benard-Marangoni effects; Vortex-Crystals from spinning magnetic disks (Marangoni effects); EGaIn Electrode to study quantum tunneling; Self-Assembly of electrostatically-charged metallic spheres (electrets); Dynamically reconfigurable lens; Using computational designs of ligands for enzymes; Electrostatic self-assembly by tribocharging; Monodisperse bubble trains in microchannel systems; Inverted dripping faucet; Flames; Printing of micro-organisms to regenerate the “ink” of printing device; Using micro-organisms to move loads (“microoxen”); Motion of bacterial swarms near surfaces; Making monodisperse particles in microfluidic systems; Coding/decoding of information stored in droplet trains in microfluidic networks; Magnetic levitation; and Information storage. i) Tribocharging. The change in focus of this work on electrets from the fundamentals of charging to applications of these materials in studying self-assembly using electrostatic interactions. ii) Bubbles in Microchannels. The realization that systems of bubbles in microchannels represented a major opportunity to study complexity in a very tractable system, and the development of a semi-quantitative theory of this subject. iii) Flames. The growth of “flames” remains an exploratory subject for the research, although their currently relatively little active work involving it ongoing. iv) Systems with Microorganisms. The removal of work in biological systems from this project. Based on work supported in this program, we now have a significant project on the development of microfluidic tools for studying C. elegans (a nematode), but this work was not appropriate for a program focused on complexity, and we developed separate support for it. (It is, however, an example of successful seeding of a new area by BES.) The work on electrets has gone through a period in which a part of the program was the subject of a MURI; the focus of this work was to develop materials that did not charge electrostatically on friction or contact. The MURI is now over, and the work on dynamic self-assembly (supported by BES) is the major focus. “Flames” has also enjoyed synergistic support, in terms of a project supported by DARPA on flame suppression (in the absence of extinguishing agents, using acoustic and electrostatic interactions). This work was helpful in understanding some of the basics of flames, but is entirely distinct from the BES focus in complexity. A growing interest is in the Lorentz effect. The Lorentz effect is the force exerted on charged particles (electrons, ions, charged molecules) when they move through a perpendicular magnetic field. The Lorentz effect is almost ubiquitous in modern technology: examples of applications include electric motors, dynamos, cathode ray tubes, many batteries, and most systems that control electrical currents with magnetic forces. We have begun to explore the Lorentz effect in electrochemical systems and heterogeneous catalytic systems involving charged organic species and inorganic ions. This work is still at an early stage, but initial studies that Lorentz effects can be large when ions move through magnetic fields, or magnetic fields move in the presence of ions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Estimating turbulent energy flux vertical profiles from uncrewed aircraft system measurements: exemplary results for the MOSAiC campaign

This study analyzes turbulent energy fluxes in the Arctic atmospheric boundary layer (ABL) using measurements with a small uncrewed aircraft system (sUAS). Turbulent fluxes constitute a major part of the atmospheric energy budget and influence the surface heat balance by distributing energy vertically in the atmosphere. However, only few in situ measurements of the vertical profile of turbulent fluxes in the Arctic ABL exist. The study presents a method to derive turbulent heat fluxes from DataHawk2 sUAS turbulence measurements, based on the flux gradient method with a parameterization of the turbulent exchange coefficient. This parameterization is derived from high-resolution horizontal wind speed measurements in combination with formulations for the turbulent Prandtl number and anisotropy depending on stability. Measurements were taken during the MOSAiC (Multidisciplinary drifting Observatory for the Study of Arctic Climate) expedition in the Arctic sea ice during the melt season of 2020. For three example cases from this campaign, vertical profiles of turbulence parameters and turbulent heat fluxes are presented and compared to balloon-borne, radar, and near-surface measurements. The combination of all measurements draws a consistent picture of ABL conditions and demonstrates the unique potential of the presented method for studying turbulent exchange processes in the vertical ABL profile with sUAS measurements.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Sensitivity of Atmospheric River Vapor Transport and Precipitation to Uniform Sea Surface Temperature Increases

Abstract Filaments of intense vapor transport called atmospheric rivers (ARs) are responsible for the majority of poleward vapor transport in the midlatitudes. Despite their importance to the hydrologic cycle, there remain many unanswered questions about changes to ARs in a warming climate. In this study we perform a series of escalating uniform SST increases (+2, +4, and +6K, respectively) in the Community Atmosphere Model version 5 in an aquaplanet configuration to evaluate the thermodynamic and dynamical response of AR vapor content, transport, and precipitation to warming SSTs. We find that AR column integrated water vapor (IWV) is especially sensitive to SST and increases by 6.3–9.7% per degree warming despite decreasing relative humidity through much of the column. Further analysis provides a more nuanced view of AR IWV changes: Since SST warming is modest compared to that in the midtroposphere, computing fractional changes in IWV with respect to SST results in finding spuriously large increases. Meanwhile, results here show that AR IWV transport increases relatively uniformly with temperature and at consistently lower rates than IWV, as modulated by systematically decreasing low‐level wind speeds. Similarly, changes in AR precipitation are related to a compensatory relationship between enhanced near‐surface moisture and damped vertical motions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Elevated temperature mechanical properties of Inconel 617 surface oxide using nanoindentation

Inconel 617 is a principal candidate material for helium gas cooled very-high-temperature reactors with outlet temperatures of 700–950 °C. Recent findings showed that this alloy develops unique surface oxide layers especially at high temperature (HT) helium environment with distinctive wear, friction and contact properties. This study investigates the elevated temperature mechanical properties of Inconel 617 top surface layers aged in HT helium environment. Nanoindentation technique is used to obtain load-displacement graphs of the alloy top surface oxide in temperatures ranging from 25 °C up to 600 °C. In addition, using finite element analysis along with an iterative regression technique, a semi-numerical method is developed to further measure and quantify the material parameters and, in particular, time-independent and creep characteristics of the oxide. Although Young's modulus of the oxide is found to be relatively close to the bulk for the tested temperatures, the yield strength and hardness, in comparison to the bulk material, increase significantly as the material is oxidized after aging. The oxide exhibits significant softening as the temperature increases to 600 °C. Unlike the bulk material, diffusion through the grains is found to be the dominant creep mechanism for the oxide. Considerable difference between the mechanical properties of the oxide and the bulk material shows the need for accurate measurements of near surface mechanical properties, if reliable predictive contact and tribological models are sought at elevated temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Simulation of Liquid Lithium Divertor Geometry Using SOLPS-ITER

Here, plasma-facing component (PFC) geometries are evaluated for a Fusion Nuclear Science Facility (FNSF) design to find solutions that are compatible with flowing liquid lithium components while satisfying requirements from the perspective of plasma and neutral particle transport. Flowing liquid metal (LM) divertor systems offer important advantages due to continual regeneration of the surface material, but may require modifications from standard optimized tokamak divertor designs. Scrape Off Layer Plasma Simulator for the International Thermonuclear Experimental Reactor (SOLPS-ITER) simulations are used to compare standard vertical target, open, and balanced baffled geometries. It is found that the open geometry offers little control of neutral particles and has narrow operating windows where the divertor fluxes can be lowered to acceptable levels, while maintaining the required upstream density. The addition of neutral baffles allows greater control over the divertor conditions with less impact on the upstream density. The divertor neutral pressure in the baffled geometry is slightly higher than the open divertor, but not as large with a vertical target. A first-pass coupling of the SOLPS solution with sheath and implantation/erosion models to compute the lithium emission shows that the lithium is largely confined to the near-surface region due to the small ionization mean free path and large main ion flow toward the surface. The lithium source was varied by three orders of magnitude. At the highest rate, when the sourced lithium approaches the level of the main ion recycling flux, a high core lithium concentration (~10%) is observed with only moderate power dissipation to affect the divertor plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Characterizing model uncertainties in simulated coast-to-offshore wind over the northeast U.S. using multi-platform measurements from the TCAP field campaign

Numerical weather prediction (NWP) models, such as the Weather Research and Forecasting (WRF) model, are widely used to provide estimates of the offshore wind energy resource owing to their large spatial coverage compared to available observations. Nevertheless, spatiotemporal distribution of model biases is highly dependent on factors including model configuration, location, and the interplay of multi-scale physical processes. Here, in this study, we focus on the characterization of model uncertainties in simulated coast-to-offshore winds over the northeast U.S., by varying sea surface temperature (SST) forcings, surface layer (SL) and planetary boundary layer (PBL) parameterizations, as well as identifying biases that may be directly passed from initial and boundary conditions. Multiple measurements, including aircraft data collected during the U.S. Department of Energy's Two-Column Aerosol Project (TCAP) experiment, are used to constrain the model results and facilitate quantitative comparisons. Our analysis indicates while SST forcing has notable impacts on simulated air temperature and moisture within PBL, the modeled winds are in general more sensitive to the choices of SL and PBL physics than to SST. The model’s forcing data not only controls the vertical dependence of wind speed errors, but also alters regional variability in wind speed’s spatial correlation. Bias comparisons between ERA5 reanalysis and ensemble simulations revealed significant similarity, particularly in wind speed biases during winter, underscoring their dependency on initial and boundary conditions. Coastal and offshore near-surface wind speed biases tend to exhibit much higher similarity in winter than in summer due to the presence of much stronger and more persistent synoptic wind conditions. This study highlights the importance of accurate atmospheric forcing and parameterization choices in improving wind forecasts and suggests the potential for extrapolating coastal wind biases to offshore locations, aiding wind energy forecasting and informing the Wind Forecast Improvement Project-3 (WFIP3).

17 WIND ENERGY↗
DOE OSTI2021

Improved Prediction of Cold-Air Pools in the Weather Research and Forecasting Model Using a Truly Horizontal Diffusion Scheme for Potential Temperature

The terrain-following vertical coordinate system used by many atmospheric models, including the Weather Research and Forecasting (WRF) Model, is prone to errors in regions of complex terrain. These errors stem, in part, from the calculation of horizontal gradients within the diffusion term of the momentum or scalar evolution equations. In WRF, such gradients can be calculated along coordinate surfaces, or using metric terms that help account for grid skewness. However, neither of these options ensures a truly horizontal gradient calculation, especially if a grid cell is skewed enough that the heights of the neighboring grid points used in the calculation fall outside the vertical range of the cell. In this work, an improved scheme that uses Taylor series approximations to vertically interpolate variables to the level necessary for a truly horizontal gradient calculation is implemented in WRF for the diffusion of potential temperature. The scheme is validated using an atmosphere-at-rest configuration, in which spurious flows develop only as a result of numerical errors and can thus be used as a proxy for model performance. Following validation, the method is applied to the simulation of cold-air pools (CAPs), which occur in regions of complex terrain and are characterized by strong near-surface temperature gradients. Using the truly horizontal scheme, idealized simulations demonstrate reduced numerical mixing in a quiescent CAP, and a realistic case study in the Columbia River basin shows a reduction in positive wind speed bias by up to roughly 20% compared to observations from the Second Wind Forecast Improvement Project.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Tuning Catalytic Reactivity via Wetting Control through Oxygen Vacancies: Ru Clusters on Anatase TiO 2 and CeO 2 Supports

The shape of supported metal particles regulates their catalytic reactivity and is determined by the degree of wetting between the metal particle and the support surface. Flattened particles that wet support surfaces were reported in various catalytic systems, particularly in the subnanometer size regime. Such consequential metal–support wetting phenomena are poorly understood, and methods to study them on powder catalysts under realistic conditions are lacking. Here, we investigate the size-dependent wetting behaviors of Ru particles on two reducible-oxide supports, anatase TiO 2 (TiO 2 -A) and CeO 2 , under reducing catalytic conditions. X-ray absorption spectroscopy (XAS), low-energy ion scattering (LEIS), and density functional theory (DFT) are combined to determine the shape of Ru particles. Ru particles remain three-dimensional without wetting the TiO 2 -A support within the coverage range studied (0.06–0.98 Ru nm –2 ). In contrast, at low coverages (<0.25 Ru nm –2 ), Ru wets the CeO 2 support to form flat, disordered structures. The higher wettability of CeO 2 than TiO 2 -A is attributed to oxygen vacancies in the near-surface region. The shape difference between small Ru particles or clusters on the two supports leads to drastically contrasting catalytic reactivities in polyolefin hydrogenolysis, despite similar diameters. As a result, this work highlights the implications of metal–support wetting, or cluster shape, on catalytic behaviors of small metal clusters, while establishing the foundation for future systematic studies of such a phenomenon in realistic systems, by delivering a multitechnique methodology and revealing governing fundamental principles.

42 ENGINEERING↗
DOE OSTI2020

Massive formation of early diagenetic dolomite in the Ediacaran ocean: Constraints on the “dolomite problem”

Paleozoic and Precambrian sedimentary successions frequently contain massive dolomicrite [CaMg(CO 3 ) 2 ] units despite kinetic inhibitions to nucleation and precipitation of dolomite at Earth surface temperatures (<60 °C). This paradoxical observation is known as the “dolomite problem.” Accordingly, the genesis of these dolostones is usually attributed to burial–hydrothermal dolomitization of primary limestones (CaCO 3 ) at temperatures of >100 °C, thus raising doubt about the validity of these deposits as archives of Earth surface environments. We present a high-resolution, >63-My-long clumped-isotope temperature (T Δ47 ) record of shallow-marine dolomicrites from two drillcores of the Ediacaran (635 to 541 Ma) Doushantuo Formation in South China. Our T ∆47 record indicates that a majority (87%) of these dolostones formed at temperatures of <100 °C. When considering the regional thermal history, modeling of the influence of solid-state reordering on our T Δ47 record further suggests that most of the studied dolostones formed at temperatures of <60 °C, providing direct evidence of a low-temperature origin of these dolostones. Furthermore, calculated δ 18 O values of diagenetic fluids, rare earth element plus yttrium compositions, and petrographic observations of these dolostones are consistent with an early diagenetic origin in a rock-buffered environment. We thus propose that a precursor precipitate from seawater was subsequently dolomitized during early diagenesis in a near-surface setting to produce the large volume of dolostones in the Doushantuo Formation. Our findings suggest that the preponderance of dolomite in Paleozoic and Precambrian deposits likely reflects oceanic conditions specific to those eras and that dolostones can be faithful recorders of environmental conditions in the early oceans.

58 GEOSCIENCES↗
DOE OSTI2026

Combining ToF‐SIMS and Multivariate Analysis to Resolve Active Sites on Ni‐Based HER Catalysts

Unambiguous identification of active sites in heterogeneous catalysis remains a major challenge, particularly for materials with ultrathin, chemically mixed surface layers. Here, we demonstrate a generalizable approach that combines time-of-flight secondary ion mass spectrometry (ToF-SIMS) with multivariate statistical analysis (principal component analysis [PCA] and multivariate curve resolution [MCR]) to resolve catalytically relevant motifs at the nanoscale. Using Ni electrodes as a model system, PCA distinguished hydroxide-enriched domains from oxide- and metal-rich regions, while MCR decomposed depth profiles and 3D images into hydroxide, oxide, and metallic layers with nanometer resolution. A unique secondary-ion fragment, NiO 3 H 3 − (m/z 108.94), emerged as a marker of hydroxide-rich environments and correlated with hydrogen evolution reaction (HER) activity across a series of Ni electrodes. Complementary density functional theory (DFT) calculations revealed that Ni(OH) 2 clusters adjacent to metallic Ni offer the most favorable water dissociation energetics, establishing the structural origin of the marker. While illustrated here for Ni-based HER, this workflow provides a broadly applicable framework to isolate and rank near-surface patterns that govern catalytic activity, thereby extending ToF-SIMS from a qualitative probe to a predictive tool for active site identification.

HER active sites↗
DOE OSTI2022

Chapter 9.12 - Weather, Climatic and Ecological Impacts of Onshore Wind Farms

Wind power is an environmentally sustainable technology that is likely to be part of the solution to the climate change, air pollution, and energy security problems. Despite many positive benefits, the rapid development of wind power has raised concerns about some potential adverse environmental impacts. While converting wind?s kinetic energy into electricity, wind turbines (WTs) modify properties of the atmospheric boundary layer (ABL) including the vertical profiles and surface-atmosphere exchanges of energy, momentum, mass, moisture, and trace gases. Given the current installed capacity and the projected installation worldwide, wind farms (WFs) are likely becoming a major driver of manmade land use change on Earth. Hence, understanding WT-atmosphere-surface interactions and assessing potential environmental impacts of WFs are of significant scientific, societal and economic importance. Here we review our progress in assessing potential impacts of onshore wind power on weather, climate and vegetation activity. A consensus is emerging based on observations and modeling studies that WFs cause a local to regional warming effect, particularly at nighttime, while the impacts on precipitation, wind patterns, crop yields and vegetation activity are uncertain. The warming effect results simply from vertical heat redistribution within the ABL due to turbine-enhanced vertical turbulent mixing in the wakes. At the global scale, with a substantial installation of WFs, mesoscale and climate models predicted large regional changes but small global impacts on temperature, while the impacts on precipitation, clouds, wind patterns and large-scale circulation have large uncertainties and are region specific and scale dependent. Despite increasing number of research efforts, our assessment of potential WF impacts is still very limited. Although the WF impacts are mostly local and limited to the near-surface ABL, this is the layer where we live and plants grow. Hence, more studies are needed to improve our understanding of WT-atmosphere-surface interactions and our capability to model and project the weather, climatic and ecological impacts of large WFs.

atmospheric boundary layer↗
DOE OSTI2022

Southern Ocean Precipitation Characteristics Observed From CloudSat and Ground Instrumentation During the Macquarie Island Cloud & Radiation Experiment (MICRE): April 2016 to March 2017

A 1-year blended surface precipitation data set using Parsivel disdrometer, surface W-band radar, and tipping bucket measurements is produced for the Macquarie Island Cloud and Radiation Experiment (MICRE) and compared with retrievals from CloudSat (spaceborne 94 GHz radar). Surface precipitation was observed 44% ± 4% of the time between April 2016 and March 2017. Precipitation composed primarily of small particles (diameter <1 mm) occurred about 36% ± 2% of the time, constituting 10% of total accumulation. Remaining precipitation contained enough large particles such that the disdrometer could be used to identify the precipitation type as rain, ice, snow or wet snow. Seasonal and annual statistics on frequency of occurrence and accumulation for each precipitation type observed during MICRE are presented. Most ice and mixed phase precipitation was shallow, originating at a height of 3 km or lower, and occurred most often when Macquarie Island was to the northwest of the nearest cyclonic low-pressure center. In contrast, rain was more often deep and occurred most frequently when the island was to the southeast of cyclonic lows. A weak diurnal cycle in frequency and mean rate was present with a minimum between 12:00 and 14:00 local time and maximum between 03:00 and 06:00 local time. The CloudSat 2C-Precip-Column product missed the lightest precipitation (because the near-surface reflectivity is <-15 dBZ) and overestimated total liquid precipitation and occurrence of mixed phase precipitation, but captured reasonably well the distribution of rain rates for rates >0.5 mm/hr.

54 ENVIRONMENTAL SCIENCES↗