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NASA NTRS2001

The Role of Mesoscale Variability on Plankton Dynamics in the North Atlantic

The intensive field observational phase of JGOFS in the North Atlantic Ocean has shown the importance of oceanic mesoscale variability on biogeochemical cycles and on the strength of the ocean biological pump. Mesoscale physical dynamics govern the major time/space scales of bulk biological variability (biomass, production, and export). Mesoscale eddies seem to have a strong impact on the ecosystem structure and functioning, but observational evidence is rather limited. For the signature of the mesoscale features to exist in the ecosystem, the comparison of temporal scales of formation and evolution of mesoscale features and reaction of the ecosystem is a key factor. Biological patterns are driven by active changes in biological source and sink terms rather than simply by passive turbulent mixing. A first modelling assessment of the regional balances between horizontal and vertical eddy-induced nutrient supplies in the euphotic zone shows that the horizontal transport predominates over the vertical route in the subtropical gyre, whereas the reverse holds true for the other biogeochemical provinces of the North Atlantic. Presently, despite some difference in numbers, the net impact of modelled eddies yields an enhancement of the biological productivity in most provinces of the North Atlantic Ocean. Key issues remaining include variation on the mesoscale of subsurface particle and dissolved organic matter remineralization, improved knowledge of the ecological response to patterns of variability, synopticity in mesoscale surveys along with refining measures of biogeochemical time/space variability. Eventual success of assimilation of in situ and satellite data, still in its infancy in coupled physical/biogeochemical models, will be crucial to achieve JGOFS synthesis in answering which data are most informative, standing stocks or rates, and which ones are relevant. Depending on which end of the spectrum quantification of the effect of mesoscale features on production and community structure is required, complementary strategies are offered. Either one may choose to increase resolution of models up to the very fine mesoscale features scale (a few kms) for the high end, or to include a parametric representation of eddies for the low end.

Garcon, Veronique C.↗

NASA NTRS2002

The Role of Mesoscale Variability on Plankton Dynamics in the North Atlantic

The intensive field observational phase of JGOFS in the North Atlantic Ocean has shown the importance of oceanic mesoscale variability on biogeochemical cycles and on the strength of the ocean biological pump. Mesoscale physical dynamics govern the major time/space scales of bulk biological variability (biomass, production and export). Mesoscale eddies seem to have a strong impact on the ecosystem structure and functioning, but observational evidence is rather limited. For the signature of the mesoscale features to exist in the ecosystem, the comparison of temporal scales of formation and evolution of mesoscale features and reaction of the ecosystem is a key factor. Biological patterns are driven by active changes in biological source and sink terms rather than simply by passive turbulent mixing. A first modelling assessment of the regional balances between horizontal and vertical eddy-induced nutrient supplies in the euphotic zone shows that the horizontal transport predominates over the vertical route in the subtropical gyre, whereas the reverse holds true for the other biogeochemical provinces of the North Atlantic. Presently. despite some difference in numbers, the net impact of modelled eddies yields an enhancement of the biological productivity in most provinces of the North Atlantic Ocean. Key issues remaining include variation on the mesoscale of subsurface particle and dissolved organic matter remineralization, improved knowledge of the ecological response to patterns of variability, synopticity in mesoscale surveys along with refining measures of biogeochemical time/space variability. Eventual success of assimilation of in situ and satellite data, still in its infancy in coupled physical/biogeochemical models, will be crucial to achieve JGOFS synthesis in answering which data are most informative, standing stocks or rates, and which ones are relevant. Depending on which end of the spectrum quantification of the effect of mesoscale features on production and community structure is required, complementary strategies are offered. Either one may choose to increase resolution of models up to the very fine mesoscale features scale (a few kms) for the high end, or to include a parametric representation of eddies for the low end.

Garcon, Veronique, C.↗

DOE OSTI2024

Solvent-Dependent Dynamics of Cellulose Nanocrystals in Process-Relevant Flow Fields

Flow-assisted alignment of anisotropic nanoparticles is a promising route for the bottom-up assembly of advanced materials with tunable properties. While aligning processes could be optimized by controlling factors such as solvent viscosity, flow deformation, and the structure of the particles themselves, it is necessary to understand the relationship between these factors and their effect on the final orientation. In this study, we investigated the flow of surface-charged cellulose nanocrystals (CNCs) with the shape of a rigid rod dispersed in water and propylene glycol (PG) in an isotropic tactoid state. In situ scanning small-angle X-ray scattering (SAXS) and rheo-optical flow-stop experiments were used to quantify the dynamics, orientation, and structure of the assigned system at the nanometer scale. The effects of both shear and extensional flow fields were revealed in a single experiment by using a flow-focusing channel geometry, which was used as a model flow for nanomaterial assembly. Due to the higher solvent viscosity, CNCs in PG showed much slower Brownian dynamics than CNCs in water and thus could be aligned at lower deformation rates. Moreover, CNCs in PG also formed a characteristic tactoid structure but with less ordering than CNCs in water owing to weaker electrostatic interactions. The results indicate that CNCs in water stay assembled in the mesoscale structure at moderate deformation rates but are broken up at higher flow rates, enhancing rotary diffusion and leading to lower overall alignment. Albeit being a study of cellulose nanoparticles, the fundamental interplay between imposed flow fields, Brownian motion, and electrostatic interactions likely apply to many other anisotropic colloidal systems.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Real singlet scalar benchmarks in the multi-TeV resonance regime

Scalar extensions of the Standard Model (SM) are of much interest at the Large Hadron Collider (LHC) and future colliders. In particular, these models can give rise to resonant di-Higgs production and alter the Higgs trilinear coupling. In this paper, we study di-Higgs production in the Standard Model extended by a real scalar singlet with no additional symmetries. We determine how large the resonant di-Higgs rate and variation in the Higgs trilinear coupling can be in four scenarios: current LHC results and projected results at the high luminosity LHC (HL-LHC), the HL-LHC combined with a circular 𝑒 − ⁢𝑒 + collider such as the Circular Electron Positron Collider or Future Circular Collider with electron-positron collisions, and the HL-LHC combined with a linear 𝑒 − ⁢𝑒 + collider such as the International Linear Collider. While these are updated results from a previous study by [I. M. Lewis and M. Sullivan, Benchmarks for double Higgs production in the singlet extended standard model at the LHC, Phys. Rev. D 96, 035037 (2017).] using current LHC data, we go further and find benchmark points in the multi-TeV resonance regime for future colliders beyond the HL-LHC. Considering current LHC results, the resonant di-Higgs rate can still be an order of magnitude larger than the SM predicted di-Higgs rate. In the HL-LHC scenario, the Higgs trilinear coupling can still be a factor of three larger than the SM prediction for resonance masses in the 1.5–3.5 TeV range, where resonant searches may have less reach. This enhancement is just at the projected 2⁢𝜎 sensitivity of the HL-LHC. We find there are resonance masses for which the change in the Higgs trilinear is maximized while the resonant rate is negligible. We provide an analytical understanding of these effects with a discussion on the interplay of various constraints on the parameter space and the Higgs trilinear coupling.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Cloud adjustments from large-scale smoke–circulation interactions strongly modulate the southeastern Atlantic stratocumulus-to-cumulus transition

Smoke from southern Africa blankets the southeastern Atlantic Ocean from June to October, producing strong and competing aerosol radiative effects. Smoke effects on the transition between overcast stratocumulus and scattered cumulus clouds are investigated along a Lagrangian (air-mass-following) trajectory in regional climate and large eddy simulation models. Results are compared with observations from three recent field campaigns that took place in August 2017: ObseRvations of Aerosols above CLouds and their intEractionS (ORACLES), CLouds and Aerosol Radiative Impacts and Forcing: Year 2017 (CLARIFY), and Layered Atlantic Smoke Interactions with Clouds (LASIC). The case study is set up around the joint ORACLES–CLARIFY flight that took place near Ascension Island on 18 August 2017. Smoke sampled upstream on an ORACLES flight on 15 August 2017 likely entrained into the marine boundary layer later sampled during the joint flight. The case is first simulated with the WRF-CAM5 regional climate model in three distinct setups: (1) FireOn, in which smoke emissions and any resulting smoke–cloud–radiation interactions are included; (2) FireOff, in which no smoke emissions are included; (3) RadOff, in which smoke emissions and their microphysical effects are included but aerosol does not interact directly with radiation. Over the course of the Lagrangian trajectory, differences in free tropospheric thermodynamic properties between FireOn and FireOff are nearly identical to those between FireOn and RadOff, showing that aerosol–radiation interactions are primarily responsible for the free tropospheric effects. These effects are non-intuitive: in addition to the expected heating within the core of the smoke plume, there is also a “banding” effect of cooler temperature (~1–2 K) and greatly enhanced moisture (>2 g kg -1 ) at the plume top. This banding effect is caused by a vertical displacement of the former continental boundary layer in the free troposphere in the FireOn simulation resulting from anomalous diabatic heating due to smoke absorption of sunlight that manifests primarily as a few hundred meters per day reduction in large-scale subsidence over the ocean. A large eddy simulation (LES) is then forced with free tropospheric fields taken from the outputs for the WRF-CAM5 FireOn and FireOff runs. Cases are run by selectively perturbing one variable (e.g., aerosol number concentration, temperature, moisture, vertical velocity) at a time to better understand the contributions from different indirect (microphysical), “large-scale” semi-direct (above-cloud thermodynamic and subsidence changes), and “local” semi-direct (below-cloud smoke absorption) effects. Despite a more than 5-fold increase in cloud droplet number concentration when including smoke aerosol concentrations, minimal differences in cloud fraction evolution are simulated by the LES when comparing the base case with a perturbed aerosol case with identical thermodynamic and dynamic forcings. A factor of 2 decrease in background free tropospheric aerosol concentrations from the FireOff simulation shifts the cloud evolution from a classical entrainment-driven “deepening–warming” transition to trade cumulus to a precipitation-driven “drizzle-depletion” transition to open cells, however. The thermodynamic and dynamic changes caused by the WRF-simulated large-scale adjustments to smoke diabatic heating strongly influence cloud evolution in terms of both the rate of deepening (especially for changes in the inversion temperature jump and in subsidence) and in cloud fraction on the final day of the simulation (especially for the moisture “banding” effect). Such large-scale semi-direct effects would not have been possible to simulate using a small-domain LES model alone.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2022

Cloud Adjustments From Large-Scale Smoke–Circulation Interactions Strongly Modulate the Southeastern Atlantic Stratocumulus-to-Cumulus Transition

Smoke from southern Africa blankets the southeastern Atlantic Ocean from June to October, producing strong and competing aerosol radiative effects. Smoke effects on the transition between overcast stratocumulus and scattered cumulus clouds are investigated along a Lagrangian (air-mass-following) trajectory in regional climate and large eddy simulation models. Results are compared with observations from three recent field campaigns that took place in August 2017: ObseRvations of Aerosols above CLouds and their intEractionS (ORACLES), CLouds and Aerosol Radiative Impacts and Forcing: Year 2017 (CLARIFY), and Layered Atlantic Smoke Interactions with Clouds (LASIC). The case study is set up around the joint ORACLES–CLARIFY flight that took place near Ascension Island on 18 August 2017. Smoke sampled upstream on an ORACLES flight on 15 August 2017 likely entrained into the marine boundary layer later sampled during the joint flight. The case is first simulated with the WRF-CAM5 regional climate model in three distinct setups: (1) FireOn, in which smoke emissions and any resulting smoke–cloud–radiation interactions are included; (2) FireOff, in which no smoke emissions are included; (3) RadOff, in which smoke emissions and their microphysical effects are included but aerosol does not interact directly with radiation. Over the course of the Lagrangian trajectory, differences in free tropospheric thermodynamic properties between FireOn and FireOff are nearly identical to those between FireOn and RadOff, showing that aerosol–radiation interactions are primarily responsible for the free tropospheric effects. These effects are non-intuitive: in addition to the expected heating within the core of the smoke plume, there is also a “banding” effect of cooler temperature (∼1–2 K) and greatly enhanced moisture (>2 g kg−1) at the plume top. This banding effect is caused by a vertical displacement of the former continental boundary layer in the free troposphere in the FireOn simulation resulting from anomalous diabatic heating due to smoke absorption of sunlight that manifests primarily as a few hundred meters per day reduction in large-scale subsidence over the ocean. A large eddy simulation (LES) is then forced with free tropospheric fields taken from the outputs for the WRF-CAM5 FireOn and FireOff runs. Cases are run by selectively perturbing one variable (e.g., aerosol number concentration, temperature, moisture, vertical velocity) at a time to better understand the contributions from different indirect (microphysical), “large-scale” semi-direct (above-cloud thermodynamic and subsidence changes), and “local” semi-direct (below-cloud smoke absorption) effects. Despite a more than 5-fold increase in cloud droplet number concentration when including smoke aerosol concentrations, minimal differences in cloud fraction evolution are simulated by the LES when comparing the base case with a perturbed aerosol case with identical thermodynamic and dynamic forcings. A factor of 2 decrease in background free tropospheric aerosol concentrations from the FireOff simulation shifts the cloud evolution from a classical entrainment-driven “deepening–warming” transition to trade cumulus to a precipitation-driven “drizzle-depletion” transition to open cells, however. The thermodynamic and dynamic changes caused by the WRF-simulated large-scale adjustments to smoke diabatic heating strongly influence cloud evolution in terms of both the rate of deepening (especially for changes in the inversion temperature jump and in subsidence) and in cloud fraction on the final day of the simulation (especially for the moisture “banding” effect). Such large-scale semi-direct effects would not have been possible to simulate using a small-domain LES model alone.

southeast Atlantic Ocean↗

DOE OSTI2025

Conductivity space isotherm behavior in quantum anomalous Hall devices

The quantum Hall effect (QHE) has enhanced accessibility to measure and disseminate electrical units, owed in part to the recently redefined International System of Units in 2019. Graphene remains one of the preferred options to realize the ohm despite the limitations of high magnetic fields to produce a robust QHE. Topological insulators, on the other hand, show promise in providing quantized resistance via the quantum anomalous Hall effect, a phenomenon that removes the need for magnetic fields during operation. To optimize future devices for metrological applications, it is important to gain a better understanding of magnetically doped topological insulators like Cr-doped bismuth antimony telluride. The application of differential conductivity space analyses offers a more sensitive way to analyze the data and distinguish between 2D and 3D transport behaviors. This is particularly important in thin films, where the transition between 2D and 3D behavior can be subtle. The ability to confidently determine the dimensionality of the transport is crucial for selecting appropriate theoretical models for future device optimization. Furthermore, this work identifies variable range hopping as the dominant transport mechanism in the 2D regime using a rigorous statistical analysis (via the Bayes factor). These elements assist in the understanding of microscopic processes that govern charge transport in these materials.

Tran, N. T. M. [National Inst. of Standards and Te↗

NASA NTRS2011

Integration Process for the Habitat Demonstration Unit

The Habitat Demonstration Unit (HDU) is an experimental exploration habitat technology and architecture test platform designed for analog demonstration activities. The HDU previously served as a test bed for testing technologies and sub-systems in a terrestrial surface environment. in 2010 in the Pressurized Excursion Module (PEM) configuration. Due to the amount of work involved to make the HDU project successful, the HDU project has required a team to integrate a variety of contributions from NASA centers and outside collaborators The size of the team and number of systems involved With the HDU makes Integration a complicated process. However, because the HDU shell manufacturing is complete, the team has a head start on FY--11 integration activities and can focus on integrating upgrades to existing systems as well as integrating new additions. To complete the development of the FY-11 HDU from conception to rollout for operations in July 2011, a cohesive integration strategy has been developed to integrate the various systems of HDU and the payloads. The highlighted HDU work for FY-11 will focus on performing upgrades to the PEM configuration, adding the X-Hab as a second level, adding a new porch providing the astronauts a larger work area outside the HDU for EVA preparations, and adding a Hygiene module. Together these upgrades result in a prototype configuration of the Deep Space Habitat (DSH), an element under evaluation by NASA's Human Exploration Framework Team (HEFT) Scheduled activates include early fit-checks and the utilization of a Habitat avionics test bed prior to installation into HDU. A coordinated effort to utilize modeling and simulation systems has aided in design and integration concept development. Modeling tools have been effective in hardware systems layout, cable routing, sub-system interface length estimation and human factors analysis. Decision processes on integration and use of all new subsystems will be defined early in the project to maximize the efficiency of both integration and field operations. In addition a series of tailored design reviews are utilized to quickly define the systems and their integration into the DSH configuration. These processes are necessary to ensure activities, such as partially reversing integration of the X-Hab second story of the HDU and deploying and stowing the new work porch for transportation to the JSC Rock Yard and to the Arizona Black Point Lava Flow Site are performed with minimal or no complications. In addition, incremental test operations leading up to an Integrated systems test allows for an orderly systems test program. For FY-11 activities, the HDU DSH will act as a laboratory utilizing a new X-Hab inflatable second floor with crew habitation features. In addition to the day to day operations involving maintenance of the HDU and exploring the surrounding terrain, testing and optimizing the use of the new X-Hab, work porch, Hygiene Module, and other sub-system enhancements will be the focus of the FY-11 test objectives. The HDU team requires a successful integration strategy using a variety of tools and approaches to prepare the DSH for these test objectives. In a challenging environment where the prototyping influences the system design, as well as Vice versa, results of the HDU DSH field tests will influence future designs of habitat systems.

Gill, Tracy↗

DOE OSTI2021

Maximizing oil production from water alternating gas (CO 2 ) injection into residual oil zones: The impact of oil saturation and heterogeneity

Residual oil zones (ROZs) are widespread reservoirs, characterized by oil at residual saturation, either underlying oil fields (brownfield) or lateral (greenfield) to such fields. These reservoirs have the potential to produce volumes of oil sufficiently significant to make appreciable impacts on the US’s oil reserves and associated incidental CO 2 sequestration. The objective of this study is to improve our understanding the impact of heterogeneous and low oil saturations, in brownfield ROZs, on the effectiveness of water alternating gas (WAG) injection strategies. ROZs occur in the Permian Basin and elsewhere, and operators are using CO 2 injection for enhanced oil recovery (EOR) in these zones. The consensus model for the formation of ROZs is that they were formed by the effect of faster regional aquifer flow, acting over millions of years. Both the magnitude of oil saturation and the spatial distribution of oil differ from water-flooded main pay zones (MPZs). To explore the most effective injection strategies, we conducted simulations of CO 2 injection into synthetic geologic reservoirs. These simulations focused on injection into reservoirs subject to either man-made waterflooding or long-term natural waterflooding. By exploring the impact of varying: oil saturation; well patterns; reservoir heterogeneity; and permeability anisotropy, we attempt to quantify the factors that most influence the effectiveness of WAG injection. WAG ratios (the ratio of injected water and CO 2 , in reservoir volumes) of interest are those that either minimize the net CO 2 utilization ratios or maximize oil production rates. In general, the most effective WAG ratios for ROZs, are consistently less than those observed undergoing CO 2 injection in the same geologic reservoir models after traditional (man-made) waterflooding. This work demonstrates that most favorable WAG ratios for oil production in ROZs are different from those in traditional MPZs because of oil saturation differences. Therefore, CO 2 injection into both zones or directly copying WAG injection designs from MPZs to ROZs might not maximize oil production.

04 OIL SHALES AND TAR SANDS↗

DOE OSTI2021

Interpretation of hydrothermal conditions, production-injection induced effects, and evidence for enhanced geothermal system-type heat exchange in response to >30 years of production at Roosevelt Hot Springs, Utah, USA

The Roosevelt Hot Springs hydrothermal system is located at the base of the Mineral Mountains in southwestern Utah on the eastern side of the Basin and Range. Hydrothermal activity is related to relatively recent bimodal magmatism, and the system is hosted in coarsely crystalline rock made of Oligocene–Miocene granitoids and Precambrian gneiss. The hydrothermal plume covers ~5 km 2 , with a maximum temperature of 268 °C at ~750 m depth, and a vertically extensive fault-fracture mesh east of the Opal Mound fault controls the upflow of hydrothermal fluids. Power generation (currently 38 MWe gross) began in 1984, and up through 2016, four wells were used for fluid production, and three wells were used for edge-field injection. Chemical analyses of produced fluids show that modern reservoir fluid compositions are similar to but more concentrated than those at the start of production, having near-neutral pH, total dissolved solids of 7000–10,000 mg/kg, and ionic ratios of Cl/HCO 3 ~50–100, Cl/SO4 ~50–100, and Na/K ~4–5. Chemical geothermometers indicate equilibration temperatures that mainly range between 240° and 300 °C. Early production induced a steep drop in pressure (~3.0–3.5 MPa), which was accompanied by a 250–300 m lowering of piezometric levels in wells and development of a shallow steam zone across the system. Hydrothermal fluid compositions evolved continuously in response to production-related steam-loss and injection breakthrough, which is reflected by gradual increases in chloride of up to 35% and stable isotope ratios of up to ~2‰δ 18 O and ~10‰δD. Simple mixing model calculations suggest that there has been a significant amount, ~10–20 MW th , of sustained multi-decadal heat mining and enhanced geothermal system (EGS)–type heat transfer by the injectate as it returns to the production zone. Overall, the two factors that have sustained long-term power production (currently 38 MWe gross) are the increased upflow of deep chloride water and, to a lesser extent, the mining of heat at <1 km depth.

58 GEOSCIENCES↗

DOE OSTI2022

Early Results from GLASS-JWST. VII. Evidence for Lensed, Gravitationally Bound Protoglobular Clusters at z = 4 in the Hubble Frontier Field A2744

We investigate the blue and optical rest-frame sizes (λ ≃ 2300–4000 Å) of three compact star-forming regions in a galaxy at z = 4 strongly lensed (×30, ×45, and ×100) by the Hubble Frontier Field galaxy cluster A2744 using GLASS-ERS James Webb Space Telescope (JWST)/NIRISS imaging at 1.15 μm, 1.50 μm, and 2.0 μm with a point-spread function ≲0$_{.}^{"}$1. In particular, the Balmer break is probed in detail for all multiply imaged sources of the system. With ages of a few tens of Myr, stellar masses in the range (0.7–4.0) ×10 6 M⊙ and optical/ultraviolet effective radii spanning the interval 3 < R eff < 20 pc, such objects are currently the highest-redshift (spectroscopically confirmed) gravitationally bound young massive star clusters (YMCs), with stellar mass surface densities resembling those of local globular clusters. Optical (4000 Å, JWST-based) and ultraviolet (1600 Å, Hubble Space Telescope–based) sizes are fully compatible. The contribution to the ultraviolet underlying continuum emission (1600 Å) is ~30%, which decreases by a factor of 2 in the optical for two of the YMCs (~4000 Å rest-frame), reflecting the young ages (<30 Myr) inferred from the spectral energy distribution fitting and supported by the presence of high-ionization lines secured with the Very Large Telescope/MUSE. Such bursty forming regions enhance the specific star formation rate of the galaxy, which is ≃10 Gyr –1 . This galaxy would be among the extreme analogs observed in the local universe having a high star formation rate surface density and a high occurrence of massive stellar clusters in formation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Quantifying Groundwater Response and Uncertainty in Beaver‐Influenced Mountainous Floodplains Using Machine Learning‐Based Model Calibration

Abstract Beavers ( Castor canadensis ) alter river corridor hydrology by creating ponds and inundating floodplains, and thereby improving surface water storage. However, the impact of inundation on groundwater, particularly in mountainous alluvial floodplains with permeable gravel/cobble layers overlain by a soil layer, remains uncertain. Numerical modeling across various floodplain structures considers topographic and sediment complexity and multidirectional flow, linking inundation to groundwater response. This study develops a model‐data integration workflow to address uncertainty in groundwater response to beaver‐induced inundations in a mountainous alluvial floodplain in the Upper Colorado River Basin. Uncertain factors include seasonal hydrologic dynamics, hydraulic conductivities, floodplain structures, and meteorological forcings. We employed an ensemble of groundwater models, based on geophysical and hydrologic data, with machine learning‐based calibration using a neural density estimator. This allowed us to quantify the vertical flux from the soil layer to the permeable gravel bed, the down‐valley underflow within the gravel bed, and their ratios. Results show a significant increase in the vertical flux relative to down‐valley underflow, from 2 during dry pond periods to 20 during wet periods, serving as an analogy for conditions without and with beaver ponds. The study highlights the influence of floodplain structure on groundwater storage, water balance, and water quality impacted by beaver ponds. A thick gravel bed layer, with a large down‐valley underflow, minimizes the effect of beaver‐induced inundation on water quality. We emphasize the need for field‐scale measurements of floodplain structure and improved characterization of evapotranspiration changes to reduce uncertainty in groundwater response. Plain Language Summary Beavers change the flow of water in river corridors by creating ponds, expanding wetlands, and flooding floodplains. This increases surface water area, promotes plant growth, and enhances biodiversity. However, the impact of this flooding on groundwater flow is not well understood, especially in mountainous areas with gravel layers where water moves easily beneath soil. In this study, we used numerical modeling to investigate how beaver ponds influence groundwater in a mountainous floodplain of the Upper Colorado River Basin. We adapted a machine learning method to validate our numerical models using multiple field data sets. Our findings show that beaver ponds significantly increase vertical water flow from the soil to the gravel during wet periods, compared to when the ponds are fully drained. The study also highlights the importance of floodplain structure in controlling both water flow in gravel layers along the river direction and vertical flow from the soil to the gravel with the presence of beavers. To reduce uncertainty in groundwater response, we emphasize the need for more field‐scale measurements of floodplain structure, hydraulic properties, and evapotranspiration changes. Key Points Floodplain structures and hydraulic conductivities are important for groundwater response with beaver ponds in mountainous floodplains Large down‐valley underflow in permeability‐stratified floodplains reduces beaver‐induced impacts on groundwater storage and water quality Machine learning‐based model calibration methods are effective for estimating posterior distributions of groundwater model parameters

Wang, Lijing↗

NASA NTRS2022

Limitations in Representation of Physical Processes Prevents Successful Simulation of PM2.5 During KORUS-AQ

High levels of fine particulate matter (PM2.5) pollution in East Asia often exceed local air quality standards. Observations from the Korea United States-Air Quality (KORUS-AQ) field campaign in May and June 2016 showed that development of extreme pollution (haze) occurred through a combination of long-range transport and favorable meteorological conditions that enhanced local production of PM2.5. Atmospheric models often have difficulty simulating PM2.5 chemical composition during haze, which is of concern for the development of successful control measures. We use observations from KORUS-AQ to examine the ability of the GEOS-Chem chemical transport model to simulate PM2.5 composition throughout the campaign and identify the mechanisms driving the pollution event. At the surface, the model underestimates sulfate by -64% but overestimates nitrate by +36%. The largest underestimate in sulfate occurs during the pollution event, where models typically struggle to generate elevated sulfate concentrations due to missing heterogeneous chemistry in aerosol liquid water in the polluted boundary layer. Hourly surface observations show that the model nitrate bias is driven by an overestimation of the nighttime peak. In the model, nitrate formation is limited by the supply of nitric acid, which is biased by +100% against aircraft observations. We hypothesize that this is due to a large missing sink, which we implement here as a factor of five increase in dry deposition. We show that the resulting increased deposition velocity is consistent with observations of total nitrate as a function of photochemical age. The model does not account for factors such as the urban heat island effect or the heterogeneity of the built-up urban landscape resulting in insufficient model turbulence and surface area over the study area that likely results in insufficient dry deposition. Other species such as NH3 could be similarly affected but were not measured during the campaign. Nighttime production of nitrate is driven by NO2 hydrolysis in the model, while observations show that unexpectedly elevated nighttime ozone (not present in the model) should result in N2O5 hydrolysis as the primary pathway. The model is unable to represent nighttime ozone due to an overly rapid collapse of the afternoon mixed layer and excessive titration by NO. We attribute this to missing nighttime heating driving deeper nocturnal mixing that would be expected to occur in a city like Seoul. This urban heating is not considered in air quality models run at large enough scales to treat both local chemistry and long-range transport. Key model failures in simulating nitrate, mainly overestimated daytime nitric acid, incorrect representation of nighttime chemistry, and an overly shallow and insufficiently turbulent nighttime mixed layer, exacerbate the model’s inability to simulate the buildup of PM2.5 during haze pollution. To address the underestimate in sulfate most evident during the haze event, heterogeneous aerosol uptake of SO2 is added to the model which previously only considered aqueous production of sulfate from SO2 in cloud water. Implementing a simple parameterization of this chemistry improves the model abundance of sulfate but degrades the SO2 simulation implying that emissions are underestimated. We find that improving model simulations of sulfate has direct relevance to determining local vs. transboundary contributions to PM2.5. During the haze pollution event, the inclusion of heterogeneous aerosol uptake of SO2 decreases the fraction of PM2.5 attributable to long-range transport from 66% to 54%. Locally-produced sulfate increased from 1% to 25% of locally-produced PM2.5, implying that local emissions controls would have a larger effect than previously thought. However, this additional uptake of SO2 is coupled to the model nitrate prediction which affects the aerosol liquid water abundance and chemistry driving sulfate-nitrate-ammonium partitioning. An additional simulation of the haze pollution with heterogeneous uptake of SO2 to aerosol and simple improvements to the model nitrate simulation results in 30% less sulfate due to 40% less nitrate and aerosol water, and results in an underestimate of sulfate during the haze event. Future studies need to better consider the impact of model physical processes such as dry deposition and nighttime boundary layer mixing on the simulation of nitrate and the effect of improved nitrate simulations on the overall simulation of secondary inorganic aerosol (sulfate+nitrate+ammonium) in East Asia. Foreign emissions are rapidly changing, increasing the need to understand the impact of local emissions on PM2.5 in South Korea to ensure continued air quality improvements.

Katherine R. Travis↗

NASA NTRS2001

Evolution of the Large Scale Circulation, Cloud Structure and Regional Water Cycle Associated with the South China Sea Monsoon During May-June, 1998

In this paper, changes in the large-scale circulation, cloud structures and regional water cycle associated with the evolution of the South China Sea (SCS) monsoon in May-June 1998 were investigated using data from the Tropical Rainfall Measuring Mission (TRMM) and field data from the South China Sea Monsoon Experiment (SCSMEX). Results showed that both tropical and extratropical processes strongly influenced the onset and evolution of the SCS monsoon. Prior to the onset of the SCS monsoon, enhanced convective activities associated with the Madden and Julian Oscillation were detected over the Indian Ocean, and the SCS was under the influence of the West Pacific Anticyclone (WPA) with prevailing low level easterlies and suppressed convection. Establishment of low-level westerlies across Indo-China, following the development of a Bay of Bengal depression played an important role in building up convective available potential energy over the SCS. The onset of SCS monsoon appeared to be triggered by the equatorward penetration of extratropical frontal system, which was established over the coastal region of southern China and Taiwan in early May. Convective activities over the SCS were found to vary inversely with those over the Yangtze River Valley (YRV). Analysis of TRMM microwave and precipitation radar data revealed that during the onset phase, convection over the northern SCS consisted of squall-type rain cell embedded in meso-scale complexes similar to extratropical systems. The radar Z-factor intensity indicated that SCS clouds possessed a bimodal distribution, with a pronounced signal (less than 30dBz) at a height of 2-3 km, and another one (less than 25 dBz) at the 8-10 km level, separated by a well-defined melting level indicated by a bright band at around 5-km level. The stratiform-to-convective cloud ratio was approximately 1:1 in the pre-onset phase, but increased to 5:1 in the active phase. Regional water budget calculations indicated that during the active phase, the SCS was a strong sink (E-P much less than 0) of atmospheric moisture, with the primary source of moisture coming from regions further west over Indo-China and the eastern Indian Ocean. Before onset and during the break, the SCS was a moisture source (E-P greater than ) to the overlying atmosphere. In particular, the SCS provided the bulk of moisture to the torrential rain over the YRV in mid-June 1998.

Lau, William K.-M.↗

DOE OSTI2020

Time-resolved in situ visualization of the structural response of zeolites during catalysis

Zeolites form an important class of materials that are widely used in various fields. Their unique properties come primarily from their size, shape, and connectivity of their sub-nm crystalline voids, the Si/Al ratio of the anionic framework, and the number and the nature of charge-balancing cations.The inhomogeneous distribution of the Si/Al ratio within crystals, and hence the cation density, the presence of organic residues, and their inhomogeneous distribution within crystals sensitively affect their performances because these factors influencethe intra-crystalline diffusion rates of the reactants and products. However, the information regarding these inhomogeneities in zeolite crystals cannot be obtained by conventional analytical tools because they only provide information regardingthe average properties of zeolite crystals. Here we employin situX-ray free electron laser-based time-resolved coherent X-ray diffraction imaging to investigate the internal deformations originating from the inhomogeneous Cu ion distributions in Cu-exchanged ZSM-5 zeolite crystals during the deoxygenation of nitrogen oxides with propene. We show that the interactions between the reactants and the active sites lead to an unusual strain distribution,which is confirmed by density functional theory simulations. Moreover, this elucidates the factors responsible for distinct active regions,which are essential to maximizing some applications with enhanced performances. These observations provide insights into the role of structural inhomogeneity in zeolites during a catalytic processand will assist the future design of zeolites for their applications.

36 MATERIALS SCIENCE↗

DOE OSTI2024

A Case Study Investigating the Low Summertime CAPE Behavior in the Global Forecast System

Convective available potential energy (CAPE) is an important index for storm forecasting. Recent versions (v15.2 and v16) of the Global Forecast System (GFS) predict lower values of CAPE during summertime in the continental United States than analysis and observation. We conducted an evaluation of the GFS in simulating summertime CAPE using an example from the Unified Forecast System Case Study collection to investigate the factors that lead to the low CAPE bias in GFS. Specifically, we investigated the surface energy budget, soil properties, and near-surface and upper-level meteorological fields. Results show that the GFS simulates smaller surface latent heat flux and larger surface sensible heat flux than the observations. This can be attributed to the slightly drier-than-observed soil moisture in the GFS that comes from an offline global land data assimilation system. The lower simulated CAPE in GFS v16 is related to the early drop of surface net radiation with excessive boundary layer cloud after midday when compared with GFS v15.2. A moisture-budget analysis indicates that errors in the large-scale advection of water vapor does not contribute to the dry bias in the GFS at low levels. Common Community Physics Package single-column model (SCM) experiments suggest that with realistic initial vertical profiles, SCM simulations generate a larger CAPE than runs with GFS IC. SCM runs with an active LSM tend to produce smaller CAPE than that with prescribed surface fluxes. Note that the findings are only applicable to this case study. Including more warm-season cases would enhance the generalizability of our findings.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2020

Understanding and Improving Model Representation of Aerosol Optical Properties for a Chinese Haze Event Measured During KORUS-AQ

KORUS-AQ was an international cooperative air quality field study in South Korea that measured local and remote sources of air pollution affecting the Korean Peninsula during May–June 2016. Some of the largest aerosol mass concentrations were measured during a Chinese haze transport event (24 May). Air quality forecasts using the WRF-Chem model with aerosol optical depth (AOD) data assimilation captured AOD during this pollution episode but overpredicted surface particulate matter concentrations in South Korea, especially PM2.5, often by a factor of 2 or larger. Analysis revealed multiple sources of model deficiency related to the calculation of optical properties from aerosol mass that explain these discrepancies. Using in situ observations of aerosol size and composition as inputs to the optical properties calculations showed that using a low-resolution size bin representation (four bins) underestimates the efficiency with which aerosols scatter and absorb light (mass extinction efficiency). Besides using finer-resolution size bins (8–16 bins), it was also necessary to increase the refractive indices and hygroscopicity of select aerosol species within the range of values reported in the literature to achieve better consistency with measured values of the mass extinction efficiency (6.7 m2 g−1 observed average) and light-scattering enhancement factor (f(RH)) due to aerosol hygroscopic growth (2.2 observed average). Furthermore, an evaluation of the optical properties obtained using modeled aerosol properties revealed the inability of sectional and modal aerosol representations in WRF-Chem to properly reproduce the observed size distribution, with the models displaying a much wider accumulation mode. Other model deficiencies included an underestimate of organic aerosol density (1.0 g cm−3 in the model vs. observed average of 1.5 g cm−3) and an overprediction of the fractional contribution of submicron inorganic aerosols other than sulfate, ammonium, nitrate, chloride, and sodium corresponding to mostly dust (17 %–28 % modeled vs. 12 % estimated from observations). These results illustrate the complexity of achieving an accurate model representation of optical properties and provide potential solutions that are relevant to multiple disciplines and applications such as air quality forecasts, health impact assessments, climate projections, solar power forecasts, and aerosol data assimilation.

Pablo E. Saide↗

DOE OSTI2020

Understanding and improving model representation of aerosol optical properties for a Chinese haze event measured during KORUS-AQ

KORUS-AQ was an international cooperative air quality field study in South Korea that measured local and remote sources of air pollution affecting the Korean Peninsula during May–June 2016. Some of the largest aerosol mass concentrations were measured during a Chinese haze transport event (24 May). Air quality forecasts using the WRF-Chem model with aerosol optical depth (AOD) data assimilation captured AOD during this pollution episode but overpredicted surface particulate matter concentrations in South Korea, especially PM 2.5 , often by a factor of 2 or larger. Analysis revealed multiple sources of model deficiency related to the calculation of optical properties from aerosol mass that explain these discrepancies. Using in situ observations of aerosol size and composition as inputs to the optical properties calculations showed that using a low-resolution size bin representation (four bins) underestimates the efficiency with which aerosols scatter and absorb light (mass extinction efficiency). Besides using finer-resolution size bins (8–16 bins), it was also necessary to increase the refractive indices and hygroscopicity of select aerosol species within the range of values reported in the literature to achieve better consistency with measured values of the mass extinction efficiency (6.7 m 2 g –1 observed average) and light-scattering enhancement factor (ƒ(RH)) due to aerosol hygroscopic growth (2.2 observed average). Furthermore, an evaluation of the optical properties obtained using modeled aerosol properties revealed the inability of sectional and modal aerosol representations in WRF-Chem to properly reproduce the observed size distribution, with the models displaying a much wider accumulation mode. Other model deficiencies included an underestimate of organic aerosol density (1.0 g cm –3 in the model vs. observed average of 1.5 g cm –3 ) and an overprediction of the fractional contribution of submicron inorganic aerosols other than sulfate, ammonium, nitrate, chloride, and sodium corresponding to mostly dust (17 %–28 % modeled vs. 12 % estimated from observations). These results illustrate the complexity of achieving an accurate model representation of optical properties and provide potential solutions that are relevant to multiple disciplines and applications such as air quality forecasts, health impact assessments, climate projections, solar power forecasts, and aerosol data assimilation.

54 ENVIRONMENTAL SCIENCES↗