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At least 973 records · Page 54

Rhode Island Site - NREL ASSIST Thermodynamic Retrievals TROPoe v0.19 / Derived Data

This dataset contains daily files with thermodynamic profiles retrieved with the optimal estimation physical retrieval TROPoe v0.19 (Turner and Löhnert, 2014; Turner and Blumberg, 2019; Turner and Löhnert, 2021). The profiles are retrieved every 10 minutes from instantaneous observations from the NREL ASSIST-II (SN 12) infrared spectrometer. Observations are noise-filtered but not averaged in time to minimize errors due to non-uniform clouds. Additional input data in TROPoe are cloud base height from the collocated NREL upgraded Galion lidar (Newsom et al., 2019), and surface temperature, relative humidity, and pressure from the collocated PNNL met tower. The full pipeline to run the retrieval is available at https://github.com/StefanoWind/TROPoe_processor. In addition to these temporally resolved input data, TROPoe requires an a priori dataset (prior) that provides mean climatological estimates of thermodynamic profiles and specifies how temperature and humidity covary with height as an input (for details see, e.g., Djalalova et al., 2022). The prior is a key component of the retrieval and provides a constraint on the ill-posed inversion problem. A monthly prior was computed from operational radiosonde launches at Upton, NY.

17 WIND ENERGY↗

An Alternative Conceptual Model for the Spent Nuclear Fuel–Water Interaction in Deep Geologic Disposal Conditions

For the long-term safety assessment of direct disposal of spent nuclear fuel in deep geologic repositories, knowledge on the radionuclide release rate from the UO 2 matrix is essential. This work provides a conceptual model to explain the results of leaching experiments involving used nuclear fuel or simulant materials in confirmed reducing conditions. Key elements of this model are: direct effect of radiation from radiolytic species (including defects and excited states) in the solid and in the first water layers in contact with its surface; and excess H 2 may be produced due to processes occurring at the surface of the spent fuel and in confined water volumes, which may also play a role in keeping the spent fuel surface in a reduced state. The implication is that the fractional radionuclide release rate used in most long-term safety assessments (10 -7 year -1 ) is over estimated because it assumes that there is net UO 2 oxidation caused by radiolysis, in contrast with the alternative conceptual model presented here. Furthermore, conventional water radiolysis models and radiation chemical yields published in the literature are not directly applicable to a heterogeneous system such as the spent fuel–water interface. Suggestions are provided for future work to develop more reliable models for the long-term safety assessment of spent nuclear fuel disposal.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Sensitivity of thermodynamic profiles retrieved from ground-based microwave and infrared observations to additional input data from active remote sensing instruments and numerical weather prediction models

Accurate and continuous estimates of the thermodynamic structure of the lower atmosphere are highly beneficial to meteorological process understanding and its applications, such as weather forecasting. In this study, the Tropospheric Remotely Observed Profiling via Optimal Estimation (TROPoe) physical retrieval is used to retrieve temperature and humidity profiles from various combinations of input data collected by passive and active remote sensing instruments, in situ surface platforms, and numerical weather prediction models. Among the employed instruments are microwave radiometers (MWRs), infrared spectrometers (IRSs), radio acoustic sounding systems (RASSs), ceilometers, and surface sensors. TROPoe uses brightness temperatures and/or radiances from MWRs and IRSs, as well as other observational inputs (virtual temperature from the RASS, cloud-base height from the ceilometer, pressure, temperature, and humidity from the surface sensors) in a physical iterative retrieval approach. This starts from a climatologically reasonable profile of temperature and water vapor, with the radiative transfer model iteratively adjusting the assumed temperature and humidity profiles until the derived brightness temperatures and radiances match those observed by the MWR and/or IRS instruments within a specified uncertainty, as well as within the uncertainties of the other observations, if used as input. In this study, due to the uniqueness of the dataset that includes all the above-mentioned sensors, TROPoe is tested with different observational input combinations, some of which also include information higher than 4 km above ground level (a.g.l.) from the operational Rapid Refresh numerical weather prediction model. These temperature and humidity retrievals are assessed against independent collocated radiosonde profiles under non-cloudy conditions to assess the sensitivity of the TROPoe retrievals to different input combinations.

54 ENVIRONMENTAL SCIENCES↗

Geographically aware estimates of remotely sensed water properties for Chesapeake Bay

This software contains the code for a data-driven model to produce high-resolution (< 1 km2) estimates of temperature, salinity, and turbidity over decadal time scales as required by next-generation Earth Systems Models. Our model fits daily MODIS Aqua reflectance data to surface observations (< 1 m depth) from 2000-2021 in Chesapeake Bay, USA.

Stachelek, Jemma↗

The Gemini Planet Imager View of the HD 32297 Debris Disk

We present new H-band scattered light images of the HD 32297 edge-on debris disk obtained with the Gemini Planet Imager. The disk is detected in total and polarized intensity down to a projected angular separation of 0.″15, or 20 au. On the other hand, the large-scale swept-back halo remains undetected, likely a consequence of its markedly blue color relative to the parent body belt. We analyze the curvature of the disk spine and estimate a radius of ≈100 au for the parent body belt, smaller than past scattered light studies but consistent with thermal emission maps of the system. We employ three different flux-preserving post-processing methods to suppress the residual starlight and evaluate the surface brightness and polarization profile along the disk spine. Unlike past studies of the system, our high-fidelity images reveal the disk to be highly symmetric and devoid of morphological and surface brightness perturbations. We find the dust scattering properties of the system to be consistent with those observed in other debris disks, with the exception of HR 4796. Finally, we find no direct evidence for the presence of a planetary-mass object in the system.

79 ASTRONOMY AND ASTROPHYSICS↗

Characterizing the Atmospheric Mn Cycle and Its Impact on Terrestrial Biogeochemistry

Abstract The role of manganese (Mn) in ecosystem carbon (C) biogeochemical cycling is gaining increasing attention. While soil Mn is mainly derived from bedrock, atmospheric deposition could be a major source of Mn to surface soils, with implications for soil C cycling. However, quantification of the atmospheric Mn cycle, which comprises emissions from natural (desert dust, sea salts, volcanoes, primary biogenic particles, and wildfires) and anthropogenic sources (e.g., industrialization and land‐use change due to agriculture), transport, and deposition, remains uncertain. Here, we use compiled emission data sets for each identified source to model and quantify the atmospheric Mn cycle by combining an atmospheric model and in situ atmospheric concentration measurements. We estimated global emissions of atmospheric Mn in aerosols (<10 μm in aerodynamic diameter) to be 1,400 Gg Mn year −1 . Approximately 31% of the emissions come from anthropogenic sources. Deposition of the anthropogenic Mn shortened Mn “pseudo” turnover times in 1‐m‐thick surface soils (ranging from 1,000 to over 10,000,000 years) by 1–2 orders of magnitude in industrialized regions. Such anthropogenic Mn inputs boosted the Mn‐to‐N ratio of the atmospheric deposition in non‐desert dominated regions (between 5 × 10 −5 and 0.02) across industrialized areas, but that was still lower than soil Mn‐to‐N ratio by 1–3 orders of magnitude. Correlation analysis revealed a negative relationship between Mn deposition and topsoil C density across temperate and (sub)tropical forests, consisting with atmospheric Mn deposition enhancing carbon respiration as seen in in situ biogeochemical studies.

Environmental Sciences & Ecology↗

BESS-STAIR: a framework to estimate daily, 30m, and all-weather crop evapotranspiration using multi-source satellite data for the US Corn Belt

Abstract. With increasing crop water demands and drought threats, mapping andmonitoring of cropland evapotranspiration (ET) at high spatial and temporalresolutions become increasingly critical for water management andsustainability. However, estimating ET from satellites for precise waterresource management is still challenging due to the limitations in bothexisting ET models and satellite input data. Specifically, the process of ETis complex and difficult to model, and existing satellite remote-sensing datacould not fulfill high resolutions in both space and time. To address theabove two issues, this study presents a new high spatiotemporal resolution ETmapping framework, i.e., BESS-STAIR, which integrates a satellite-drivenwater–carbon–energy coupled biophysical model, BESS (Breathing Earth SystemSimulator), with a generic and fully automated fusion algorithm, STAIR(SaTallite dAta IntegRation). In this framework, STAIR provides daily 30'mmultispectral surface reflectance by fusing Landsat and MODIS satellite datato derive a fine-resolution leaf area index and visible/near-infrared albedo,all of which, along with coarse-resolution meteorological and CO 2 data, are used to drive BESS to estimate gap-free 30 m resolution daily ET.We applied BESS-STAIR from 2000 through 2017 in six areas across the US CornBelt and validated BESS-STAIR ET estimations using flux-tower measurementsover 12 sites (85 site years). Results showed that BESS-STAIR daily ETachieved an overall R2=0.75, with root mean square error RMSE=0.93 mm d -1 and relative error RE =27.9 % when benchmarkedwith the flux measurements. In addition, BESS-STAIR ET estimations capturedthe spatial patterns, seasonal cycles, and interannual dynamics well indifferent sub-regions. The high performance of the BESS-STAIR frameworkprimarily resulted from (1) the implementation of coupled constraints onwater, carbon, and energy in BESS, (2) high-quality daily 30 m data from theSTAIR fusion algorithm, and (3) BESS's applicability under all-skyconditions. BESS-STAIR is calibration-free and has great potentials to be areliable tool for water resource management and precision agricultureapplications for the US Corn Belt and even worldwide given the globalcoverage of its input data.

54 ENVIRONMENTAL SCIENCES↗

Verification of stability and unraveling the electronic and physical properties of bulk and (001)-surfaces of newly synthesized Ti 2 ZnX (X = C, N) MAX phases

MAX phase family has been extended by the addition of late transition metals at the A-site with the expectation of diverse functional properties. Here, we present our systematic density functional investigation on the thermodynamic and phonon stabilities, elastic properties, including elastic constants, elastic moduli and elastic anisotropy of newly synthesized Ti 2 ZnX (X = C, N) phases in comparison with conventional Ti 2 AlX (X = C, N). Due to the smaller size of N as compared to C, the unit cell dimension is reduced when C atoms are replaced by N atoms at the X-site. Furthermore, the Ti 2 ZnC and Ti 2 ZnN are stable at the equilibrium volume of 110.84 Å 3 and 105.70 Å 3 . The thermodynamic, mechanical and dynamical stabilities are validated by estimating the formation energies, elastic constants and phonon dispersions, respectively. The elastic properties of Ti 2 ZnN are less anisotropic as compared to those of Ti 2 ZnC. To understand the thin-film characteristics in Ti 2 ZnX, the surface properties with (001)-terminated slabs are investigated. Both Ti 2 ZnX bulk and (001)-surfaces exhibit metal-like electronic structures. There is a strong covalent bonding between Ti-X and Ti-Zn atoms confirmed by the charge density map and Mulliken population analysis. Additional states are generated at the Fermi level (EF) due to the unusual d-p states hybridization between Ti and Zn atoms. The anisotropy in chemical bonding is confirmed by the cleavage energy difference between Ti-X and Ti-Zn. Here, Ti(X)-001 and Zn-001 terminations are stable surfaces; however, in terms of chemical potentials, Zn-001 termination is the most favourable in Ti 2 ZnX.

36 MATERIALS SCIENCE↗

Modeling Impedance Caused by Ohmic Losses in High Surface Area Carbons in Polymer Electrolyte Fuel Cells

An analytical model for a blocking porous electrode is derived and used to predict how ohmic resistance inside micropores that host catalyst nanoparticles affects impedance. This paper revisits a widely used approach for estimating ionic conductivities of catalyst layers in fuel cells. An interfacial term associated with resistance in micropores is derived and added to the classical expression for the impedance of a blocking porous electrode at low frequency. The revised model predicts a physically realistic rise in the real component of the impedance at low frequency when reasonable pore dimensions and conductivities are used as inputs.

08 HYDROGEN↗

SCOPE: Spectral cloud optical property estimation using real-time GOES-R longwave imagery

The output of ground-based, solar power generation systems is strongly dependent on cloud cover, which is the main contributor to solar power variability and uncertainty. Cloud optical properties are typically over-simplified in forecasting applications due to the lack of realtime, accurate estimates. In this work, we introduce a method, the Spectral Cloud Optical Property Estimation (SCOPE), for estimating cloud optical properties directly from high-resolution (5-min, 2 km) imagery from Geostationary Operational Environmental Satellite (GOES)-R, which is the newest generation of the GOES system. The SCOPE method couples a two-stream, spectrally resolved radiative model with the longwave GOES-R sensor output to simultaneously estimate the cloud optical depth, cloud top height, and cloud thickness during both day and night at 5-min intervals. The accuracy of SCOPE is evaluated using one year (2018) of downwelling longwave (DLW) radiation measurements from the Surface Radiation Budget Network, which consists of seven sites spread across climatically diverse regions of the contiguous United States. During daytime clear-sky periods, SCOPE predicts DLW within instrument uncertainty (10 W m -2 ) for four of the seven locations, with the remaining locations yielding errors of the order of 11.2, 17.7, and 20.2 W m -2 . For daytime cloudy-sky, daytime all-sky (clear or cloudy), and nighttime all-sky periods, SCOPE achieves root mean square error values of 23.0–34.5 W m -2 for all seven locations. These results, together with the low-latency of the method (1 s per sample), show that SCOPE provides a viable solution to real-time, accurate estimation of cloud optical properties for both day and night.

42 ENGINEERING↗

The Anatomy of an Unusual Edge-on Protoplanetary Disk. I. Dust Settling in a Cold Disk

As the earliest stage of planet formation, massive, optically thick, and gas-rich protoplanetary disks provide key insights into the physics of star and planet formation. When viewed edge-on, high-resolution images offer a unique opportunity to study both the radial and vertical structures of these disks and relate this to vertical settling, radial drift, grain growth, and changes in the midplane temperatures. In this work, we present multi-epoch Hubble Space Telescope and Keck scattered light images, and an Atacama Large Millimeter/submillimeter Array 1.3 mm continuum map for the remarkably flat edge-on protoplanetary disk SSTC2DJ163131.2–242627, a young solar-type star in ρ Ophiuchus. We model the 0.8 μm and 1.3 mm images in separate Markov Chain Monte Carlo (MCMC) runs to investigate the geometry and dust properties of the disk using the MCFOST radiative transfer code. In scattered light, we are sensitive to the smaller dust grains in the surface layers of the disk, while the submillimeter dust continuum observations probe larger grains closer to the disk midplane. An MCMC run combining both data sets using a covariance-based log-likelihood estimation was marginally successful, implying insufficient complexity in our disk model. The disk is well characterized by a flared disk model with an exponentially tapered outer edge viewed nearly edge-on, though some degree of dust settling is required to reproduce the vertically thin profile and lack of apparent flaring. A colder than expected disk midplane, evidence for dust settling, and residual radial substructures all point to a more complex radial density profile to be probed with future, higher-resolution observations.

47 OTHER INSTRUMENTATION↗

Upper ocean mixing, surface heat fluxes, and heat content variability in the upper 150 m during Hurricane Laura (2020)

Observations (from thermistor sensors and a hurricane glider) and model-based temperature were used to answer questions including the following: 1) What physical and environmental conditions explain the rapid intensification of Hurricane Laura? 2) How did the pre-existing warm mixed layer at Stone mooring (StM) influence the degree of cooling in the mixed layer? 3) How did vertical mixing, surface heat fluxes, and advective processes collectively shape the mixed layer heat evolution at StM? Observations measured by thermistor sensors showed that Hurricane Laura induced a cooling of -1.2oC in the mixed layer when Hurricane Laura’s wind speed increased to 47 m/s on 26 August. This contrasts with the -1.04oC mixed layer temperature change estimated from model-based temperature. At StM, the presence of a 31oC warm mixed layer and elevated heat content (60-80kJ/cm2) effectively preconditioned the upper ocean ahead of Hurricane Laura’s passage. After Hurricane Laura passed, turbulent mixing associated with the storm transported the heat anomalies downward into subsurface layers. In addition, this study shows that a surface heat flux of 5.04 kJ/cm2 supported the intensity of Hurricane Laura as it traversed over the StM. Using a mixed layer heat balance model, this study shows that entrainment flux and surface flux mostly contributed to the observed change in the mixed layer temperature.

Tsai, Senam↗

Aqueous TiO 2 Nanoparticles React by Proton-Coupled Electron Transfer

Redox reactions of aqueous colloidal TiO 2 4 nm nanoparticles (NPs) have been examined, including both citratecapped and uncapped NPs (c-TiO 2 and uc-TiO 2 ). Photoreduction gave stable blue colloidal c-TiO 2 R NPs with 10–60 electrons per particle. Equilibration of these reduced NPs with soluble redox reagents such as methylviologen (MV 2+ ) provided measurements of the colloid reduction potential as a function of pH. The potentials of c-TiO 2 from pH 2–9 varied linearly with pH, with a slope of –60 ± 5 mV/pH. Estimates of the potential at pH 12 were consistent with extrapolating that line to high pH. The reduction potentials did not correlate with the zeta potentials (ζ) or the surface charge of the NPs across this pH range. Similar reduction potentials were observed for c- and uc-TiO 2 at low pH even though they have quite different ζ potentials. These results show that the common surface-charging explanation of the pH dependence is not tenable in these systems. Oxidation of reduced c-TiO 2 R with the electron-transfer oxidant potassium triiodide (KI 3 ) occurred with a significant drop in pH, showing that protons were released when the electrons were removed from the NPs. Smaller pH drops were observed for the proton-coupled electron transfer (PCET) reagents O 2 (air) and 4-MeO-TEMPO (4-methoxy-2,2,6,6-tetramethylpiperine-1-oxy radical). The difference in the number of protons released with KI 3 vs O 2 and 4-MeO-TEMPO was roughly one proton per electron removed. Thus, the thermodynamically preferred reactivity of these colloidal TiO 2 NPs is PCET over the pH 2–13 range studied. The measured redox potentials refer to the chemical process TiO 2 + H + + e – → TiO 2 ·e – ,H + ; and therefore they do not correspond with an electronic energy such as a conduction band edge or flat band potential. The 1e – /1H + stoichiometry means that the TiO 2 reduction potentials correspond to a TiO 2 –H bond dissociation free energy (BDFE), determined to be 49 ± 2 kcal mol –1 . The PCET description is consistent with the pH dependence of E(TiO 2 /TiO 2 ·e – ,H + ), the release of protons upon oxidation, the lack of correlation with ζ potentials, the similarity of capped and uncapped NPs, and the small change in the potential and BDFE from the first to the last electron/proton pair (H atom) removed. Furthermore, this behavior is suggested to be the norm for redox-active oxide/water interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Time of Emergence and Large Ensemble Intercomparison for Ocean Biogeochemical Trends

Anthropogenically forced changes in ocean biogeochemistry are underway and critical for the ocean carbon sink and marine habitat. Detecting such changes in ocean biogeochemistry will require quantification of the magnitude of the change (anthropogenic signal) and the natural variability inherent to the climate system (noise). Here we use Large Ensemble (LE) experiments from four Earth system models (ESMs) with multiple emissions scenarios to estimate Time of Emergence (ToE) and partition projection uncertainty for anthropogenic signals in five biogeochemically important upper-ocean variables. We find ToEs are robust across ESMs for sea surface temperature and the invasion of anthropogenic carbon; emergence time scales are 20–30 yr. For the biological carbon pump, and sea surface chlorophyll and salinity, emergence time scales are longer (50+ yr), less robust across the ESMs, and more sensitive to the forcing scenario considered. We find internal variability uncertainty, and model differences in the internal variability uncertainty, can be consequential sources of uncertainty for projecting regional changes in ocean biogeochemistry over the coming decades. In combining structural, scenario, and internal variability uncertainty, this study represents the most comprehensive characterization of biogeochemical emergence time scales and uncertainty to date. Our findings delineate critical spatial and duration requirements for marine observing systems to robustly detect anthropogenic change.

54 ENVIRONMENTAL SCIENCES↗

A 3D Full Stress Tensor Model for Oklahoma

Abstract The stress tensor is an important property for upper crustal studies such as those that involve pore fluids and earthquake hazards. At tectonic plate scale, plate boundary forces and mantle convection are the primary drivers of the stress field. In many local settings (10–100 s of km and <10 km depth) in tectonic plate interiors, we can simplify by assuming a constant background stress field that is perturbed by local heterogeneity in density and elasticity. Local stress orientation and sometimes magnitude can be estimated from earthquake and borehole‐based observations when available. Modeling of the local stress field often involves interpolating sparse observations. We present a new method to estimate the 3D stress field in the upper crust and demonstrate it for Oklahoma. We created a 3D material model by inverting multiple types of geophysical observations simultaneously. Integrating surface‐wave dispersion, local travel times and gravity observations produces a model of P‐wave velocity, S‐wave velocity, and density. The stress field can then be modeled using finite element simulations. The simulations are performed using our simplified view of the local stress field as the sum of a constant background stress field that is perturbed by local density and elasticity heterogeneity and gravitational body forces. An orientation of N82°E, for the maximum compressive tectonic force, best agrees with previously observed stress orientations and faulting types in Oklahoma. The gravitational contribution of the horizontal stress field has a magnitude comparable to the tectonic contribution for the upper 5 km of the subsurface.

58 GEOSCIENCES↗

Sensitivity of Pyrocumulus Convection to Tree Mortality During the 2020 Creek Fire in California

Abstract This study investigated the sensitivity of pyrocumulonimbus (PyroCb) induced by the California Creek fire of 2020 to the amount and type of surface fuels, within the WRF‐SFIRE modeling system. Satellite data were used to derive fire arrival times to constrain fire progression, and to augment the fuel characterization with better estimates of combustible vegetation accounting for tree mortality. Machine learning was employed to classify standing dead vegetation from aerial imagery, which was then added as a custom fuel class along with the standard Anderson fuel categories. Simulations using this new fuel class produced a larger and more vigorous PyroCb than the control run, however, still under‐predicted the cloud top. Additional augmentation of fuel mass to represent the accumulation of dead vegetation on the forest floor further improved the simulations, demonstrating the efficacy of representing both dead standing and fallen vegetation to produce more realistic PyroCb and smoke simulations.

54 ENVIRONMENTAL SCIENCES↗

Dissolved Organic Carbon in Coastal Waters: Global Patterns, Stocks and Environmental Physical Controls

Abstract Dissolved organic carbon (DOC) in coastal waters is integral to biogeochemical cycling, but global and regional drivers of DOC are still uncertain. In this study we explored spatial and temporal differences in DOC concentrations and stocks across the global coastal ocean, and how these relate to temperature and salinity. We estimated a global median coastal DOC stock of 3.15 Pg C (interquartile range (IQR) = 0.85 Pg C), with median DOC concentrations being 2.2 times higher than in open ocean surface waters. Globally and seasonally, salinity was the main driver of DOC with concentrations correlated negatively with salinity, without a clear relationship to temperature. DOC concentrations and stocks varied with region and season and this pattern is likely driven by riverine inputs of DOC and nutrients that stimulate coastal phytoplankton production. Temporally, high DOC concentrations occurred mainly in months with high freshwater input, with some exceptions such as in Eastern Boundary Current margins where peaks are related to primary production stimulated by nutrients upwelled from the adjacent ocean. No spatial trend between DOC and temperature was apparent, but many regions (19 out of 25) had aligned peaks of seasonal temperature and DOC, related to increased phytoplankton production and vertical stratification at high temperatures. Links of coastal DOC with salinity and temperature highlight the potential for anthropogenic impacts to alter coastal DOC concentration and composition, and thereby ecosystem status.

Lønborg, Christian [Section for Marine Diversity a↗

Elimination of remnant phases in low-temperature growth of wurtzite ScAlN by molecular-beam epitaxy

We report growth of wurtzite Sc x Al 1-x N (x < 0.23) by plasma-assisted molecular-beam epitaxy on c-plane GaN at high temperatures significantly alters the extracted lattice constants of the material due to defects likely associated with remnant phases. In contrast, ScAlN grown below a composition-dependent threshold temperature exhibits uniform alloy distribution, reduced defect density, and atomic-step surface morphology. The c-plane lattice constant of this low-temperature ScAlN varies with composition as expected from previous theoretical calculations and can be used to reliably estimate alloy composition. Moreover, lattice-matched Sc 0.18 Al0 .82 N/GaN multi-quantum wells grown under these conditions display strong and narrow near-infrared intersubband absorption lines that confirm advantageous optical and electronic properties.

36 MATERIALS SCIENCE↗