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DOE OSTI2024

Nanostructured Alumina Forming Austenitic Alloy (NAFA) Production Using Mechanical Alloying and High-Temperature Consolidation

Alumina-forming austenitic (AFA) alloys are a promising class of nuclear materials because of their high-temperature oxidation/corrosion resistance and mechanical properties. Unfortunately, these alloys are limited in use for core material applications, and they are specifically limited for use as nuclear fuel cladding because of their high Ni-transmutation and helium generation rate in-service. Improving these alloys through a fine dispersion of oxide precipitates and thus increasing the effective irradiation sink strength of the alloy system may mitigate many of the degradation phenomena expected during alloy deployment. These phenomena include high-temperature helium embrittlement and cavity swelling for lead-cooled fast reactor applications. This work effort uses combination of conventional and advanced manufacturing approaches are being used to fabricate nanostructured AFA (NAFA) materials. As the first objective of this initiative, a conventional AFA was modified using mechanical alloying and extrusion to alter the precipitation characteristics to include a fine dispersion of nanoscale oxides intended to serve as traps for irradiation-induced point defects and transmuted He within the lattice. This analysis compared the efficacy of the conventional mechanical alloying and extrusion approach with the unalloyed AFA consolidated approach using hot isostatic pressing (HIP). It was found that, although the mechanical alloying approach is successful in producing a fine distribution of oxides within the first nanostructured AFA (NAFA-1), the distribution is heterogeneous because of the mild milling parameters used to prevent cold welding of powder to the spherical milling media. The additional dispersion of oxides, coupled with a higher volume fraction of other secondary phases in the NAFA-1, produces higher alloy strengths that range up to 600°C in comparison to the unalloyed HIP AFA, thus exceeding the operating temperature of lead-cooled fast reactors. However, the strength of the NAFA-1 is lower than that of the HIP AFA at 800°C, which is presumed to be a function of increased secondary phases from the nonoptimized AFA chemistry. Future work is planned on a newly procured NAFA-2 chemistry that is more suitable for advanced reactor applications exploring new manufacturing routes.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Quenching in the Right Place at the Right Time: Tracing the Shared History of Starbursts, Active Galactic Nuclei, and Poststarburst Galaxies Using Their Structures and Multiscale Environments

This work uses multiscale environments and the structures of galaxies in the Sloan Digital Sky Survey as consistency checks on the evolution from starburst to quiescence at redshift z < 0.2. The environmental indicators include fixed-aperture mass overdensities (δ xMpc , x ϵ {0.5, 1, 2, 4, 8} h –1 Mpc), k-nearest neighbor distances, the tidal parameter, halo mass (M h ), and satellite/central classification. The residuals of the specific star formation rates (Δ SSFRs) are used to select starbursts (ΔSSFR > 0.6 dex, N ≈ 8600). Quenched poststarbursts (QPSBs) are selected using Hα < 3 Å emission and Hδ A > 4 Å absorption (N ≈ 750). The environments of starbursts and QPSBs are compared with those of active galactic nuclei (AGNs) and inactive galaxies of varying ΔSSFR. The environments of starbursts, AGNs, and QPSBs are unlike the environments of most quiescent galaxies (QGs). About 70%–90% of starbursts, AGNs with Hδ A > 4 Å, and QPSBs are centrals; ~80%–90% have M h < 10 13 M ⊙ , and only ~2%–4% have M h > 10 14 M ⊙ or live in clusters. Their M h and satellite fractions are also different from those of QGs. All QPSBs are matched to some SFGs, starbursts, AGNs, and QGs of similar M $\star$ , environments, concentration indices, and velocity dispersions. A significant fraction (~20%–30%) of starbursts cannot be matched to QPSBs or QGs. The implications are that: (1) some starbursts do not quench rapidly; (2) the satellite-quenching mechanisms operating in high-density environments cannot account for most QPSBs; (3) the evolution from starbursts to QPSBs to QGs is not the dominant path at z < 0.2; and (4) starbursts are not mainly triggered by tidal interactions.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Lignin-First Biorefinery Development

Cost-effective biomass fractionation is an enabling, grand challenge for biorefining, especially when both carbohydrates and lignin are targeted for valorization. The advent of Reductive Catalytic Fractionation (RCF) - an active stabilization approach that solubilizes lignin from biomass and catalytically depolymerizes it into a narrow slate of monomers and oligomers - represents a potential step forward for this important goal. In the Lignin-First Biorefinery Development project, we are employing techno-economic analysis (TEA) and life cycle assessment (LCA) to guide bench-scale R&D efforts towards cost-effective RCF-based biorefining. This project is critical to lignin valorization efforts and could enable the use of woody feedstocks in a traditional biochemical conversion context. To date, we have conducted the first rigorous TEA and LCA study of the RCF process, developed a flow-through system to separate biomass and the chemical catalyst in RCF chemistry, developed models for solvolysis chemistry and transport phenomena for poplar, and co-led an international, authoritative perspective on guidelines for the research community on how to best practice lignin-first biorefining. The primary challenges for the lignin-first RCF process going forward are catalyst stability, the need to utilize, recover, and recycle high boiling point solvents to lower RCF reactor pressure, and the challenge of operating RCF continuously - all of which are being directly tackled by this project.

biomass↗

DOE OSTI2020

Applying Improved Optical Recognition with Machine Learning on Sorting Cu Impurities in Steel Scrap

Annually, 20–55 million tons of electronic waste (e-waste) is produced worldwide (5% of all municipal solid waste). Although e-waste embodies only 2% of America’s municipal waste, it accounts for a significantly larger proportion of the heavy metals and flame retardants present in the waste stream. Currently, less than 20% of all e-waste is recycled in the United States because the heterogeneity of the feedstock limits the opportunity for reuse in high value products and processing of the waste itself is often too costly to justify handling. To address this concern, the aims of this study are: 1) to identify the major plastic and metal compositions within electronic shredder residue (ESR), 2) to formulate solvents and processing conditions to separate 90% of the plastics targeted from consumer shred ESR, and 3) to develop a process design model to estimate the cost and energy efficiency of the proposed solvent-based processing. In this study, a pre-sorted heterogeneous ESR feedstock (one where aluminum, magnetic components, and hazardous battery materials removed by an e-waste recycling facility) was used, with the major compositions of the ESR characterized. It was found that 25 wt.% of the feedstock was composed of plastics, 6 wt.% rubber, 27 wt.% printed circuit boards, 23% wire, and the remainder metals and capacitors. Within the plastic portion, polystyrene (PS, 40 wt.%), acrylonitrile butadiene styrene (ABS, 25 wt.%), and styrene-acrylonitrile (SAN, 9wt.%) were identified to compose the majority of the screened plastics using Fourier transform infrared spectroscopy (FTIR). Next, selective solvents were screened using Hansen Solubility Parameter Theory (HSP) for dissolving PS and ABS. The pre-screening results show that methylene chloride (dichloromethane, DCM) and tetrahydrofuran (THF) are capable of dissolving the most PS and ABS, while methanol (MeOH) and ethylene glycol (EG) are capable of precipitating the most PS and ABS. These solvents were subsequently used to recover polymers and remove. flame retardants within the ESR feedstock. By optimizing the dissolution time and the solvents used, the highest polymer dissolution yield (99 wt.%%) was achieved using DCM for 48 hr. Both pre-screened anti-solvents (MeOH and EG) showed the highest polymer precipitation yield (71 wt.%). In terms of flame retardant removal rate, EG was found to have a high phosphorus-containing flame retardant removal rate (up to 98%). Characterization shows that the proposed solvent-based processing can preserve a high molecular weight fraction of the polymers and effectively remove flame retardants. Cost analysis indicates that the amount of the solvent/anti-solvent recovered after the reaction would play a critical role in reducing the operating costs. The energy analysis shows that the proposed solvent-based processes can save up to 60% of the embodied energy used to manufacture plastics used in electronics (PS and ABS were used for calculations). The results from this project prove the potential of solvent-based processing to produce secondary materials (plastics and metals) from e-waste for cross-industry reuse.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Superstructure Optimization of Waste Plastic Pyrolysis, Integrating Thermal, Catalytic, and Plasma Technologies with Machine Learning

Global plastic waste generation exceeds 430 million tonnes per year, yet fewer than 9% are recycled in the United States. Pyrolysis offers a chemical recycling route at scale, but existing techno-economic and life cycle assessments fix product yields to single pure polymers, producing economic and environmental outputs that break down when the feed composition changes. Here, we present a superstructure optimization framework that addresses this by embedding a composition-aware random forest yield predictor, trained on 566 pyrolysis experiments, within a full-scale process simulation. Product distributions update automatically as feed allocation shifts across four reactor chemistries: conventional thermal, catalytic (HZSM-5), thermal oxo-degradation, and nonequilibrium CO2 plasma. The optimal superstructure achieves minimum selling prices of −0.56 to −0.76/kg feed and global warming potentials of −0.276 to −0.322 kg CO2-eq/kg feed across four commodity price scenarios, confirming profitable, carbon-negative operation without tipping fees. Carbon abatement costs of $\$$0.46 to $\$$1.25/kg CO2-eq are competitive with direct air capture. Sensitivity analysis shows that the catalytic-plasma split fraction is the single largest driver of both economic and climate performance, while hydrocracking allocation in the wax upgrading stage is emission-neutral across the full variable range. Mixed plastic waste streams, evaluated as composition-variable feedstocks rather than pure resins, are profitable and carbon-negative across realistic market conditions. These results give a quantitative basis for reactor selection, circular economy investment, and policy design targeting chemical recycling on a large scale.

Life cycle assessment↗

DOE OSTI2025

Electric transmission value and its drivers in United States power markets

Electric transmission infrastructure plays a vital role during extreme weather and supply disruptions and can enable low-cost electricity systems. This paper contributes to a more complete understanding of the value and cost-effectiveness of transmission, as well as barriers to its development. By studying wholesale energy market prices in the United States between 2012 and 2022, we find that additional transfer capacity between regions would have been especially valuable, with a median value of $116 million per GW per year. This capacity would often have provided balanced benefits to each region. The market value of transmission was highly influenced by a small fraction of time: 5% of hours typically captured at least 45% of the total value. These peak periods were primarily driven by unforeseen changes in conditions within one day of operations. Annualized transmission infrastructure cost estimates were lower than the average market value for most locations, including all links crossing regional seams, where the value-to-cost ratio was often greater than 4. This suggests that there are barriers to developing valuable grid infrastructure. These results complement forward-looking modeling studies and support efforts to improve modeling practices.

Energy economics↗

DOE OSTI2020

DIREXENO—an apparatus for measuring correlated scintillation signatures in liquid xenon

We present a detector apparatus, DIREXENO (DIREctional XENOn), designed to measure the spatial and temporal properties of scintillation in liquid xenon to very high accuracy. The properties of scintillation are of primary importance for dark matter and neutrinoless double beta decay experiments; however the complicated microphysics involved limits theoretical predictions. We will explore the possibility that scintillation emission exhibits spatial correlations such as super-radiance which manifests in temporal and spatial structure, depending on the interaction type. Such properties of scintillation light may open a new window for background rejection as well as directionality measurements. We present the apparatus' technical design and the concepts driving it. We demonstrate that for an energy deposition of ~2.5 keV (~7.5 keV) electron (nuclear) recoil the detector is sensitive to an anisotropy fraction of as little as ~ 20% of the total photons emitted over a solid angle of ~0.85 steradian or less. We show results from commissioning runs in which the detector operated with 17 PMTs for over 44 days in stable conditions. The time resolution for individual photons in different PMTs was measured to be ≲1.4 ns full-width at half-maximum

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Observation of the decay ψ ( 3686 ) → Σ 0 Σ ¯ 0 ω

Using a dataset of ( 27.12 ± 0.14 ) × 10 8 ψ ( 3686 ) events collected by the BESIII detector operating at the BEPCII collider, we report the first observation of the decay ψ ( 3686 ) → Σ 0 Σ ¯ 0 ω with a statistical significance of 8.9 σ . The measured branching fraction is ( 1.24 ± 0.1 6 stat ± 0.1 1 sys ) × 10 − 5 , where the first uncertainty is statistical and the second is systematic. Additionally, we investigate potential intermediate states in the invariant mass distributions of Σ 0 ω , Σ ¯ 0 ω and Σ 0 Σ ¯ 0 . A hint of a resonance is observed in the invariant mass distribution of M Σ 0 ( Σ ¯ 0 ) ω , located around 2.06 GeV / c 2 , with a significance of 2.5 σ . Published by the American Physical Society 2025

Ablikim, M.↗

DOE OSTI2025

Time-Resolved Stochastic Dynamics of Quantum Thermal Machines

Steady-state quantum thermal machines are typically characterized by a continuous flow of heat between different reservoirs. However, at the level of discrete stochastic realizations, heat flow is unraveled as a series of abrupt quantum jumps, each representing an exchange of finite quanta with the environment. Here, in this work, we present a framework that resolves the dynamics of quantum thermal machines into cycles classified as enginelike, coolinglike, or idle. We analyze the statistics of individual cycle types and their durations, enabling us to determine both the fraction of cycles useful for thermodynamic tasks and the average waiting time between cycles of a given type. Central to our analysis is the notion of intermittency, which captures the operational consistency of the machine by assessing the frequency and distribution of idle cycles. Our framework offers a novel approach to characterizing thermal machines, with significant relevance to experiments involving mesoscopic transport through quantum dots.

full counting statistics↗

DOE OSTI2020

Design of a 100 kW Surface Permanent Magnet Machine with Wide Constant Power Speed Ratio for Traction Applications

Surface permanent magnet (SPM) machines are considered to be strong candidates for traction applications due to their high power density and high efficiency. By adopting fractional-slot concentrated windings, SPM machines can achieve a wide constant power speed range. A carbon fiber sleeve is applied to ensure the retainment of the magnets at high speed operating conditions. The purpose of this paper is to present the design of a high speed SPM machine for traction applications with 25 kW/Liter active power density and a wide constant-power speed range that is consistent with guidelines and targets presented in the Electrical and Electronics Technical Team Roadmap published by the US Department of Energy. The predicted electromagnetic performance and structural characteristics are presented based on both analytical and FEA results.

42 ENGINEERING↗

DOE OSTI2021

Chemical Recycling of Mixed Plastics and Valuable Metals in the Electronic Waste Using Solvent-Based Processing

Annually, 20-55 million tons of electronic waste (e-waste) is produced worldwide (5% of all municipal solid waste). Although e-waste embodies only 2% of America’s municipal waste, it accounts for a significantly larger proportion of the heavy metals and flame retardants present in the waste stream. Currently, less than 20% of all e-waste is recycled in the United States because the heterogeneity of the feedstock limits the opportunity for reuse in high value products and processing of the waste itself is often too costly to justify handling. To address this concern, the aims of this study are: 1) to identify the major plastic and metal compositions within electronic shredder residue (ESR), 2) to formulate solvents and processing conditions to separate 90% of the plastics targeted from consumer shred ESR, and 3) to develop a process design model to estimate the cost and energy efficiency of the proposed solvent-based processing. In this study, a pre-sorted heterogeneous ESR feedstock (one where aluminum, magnetic components, and hazardous battery materials removed by an e-waste recycling facility) was used, with the major compositions of the ESR characterized. It was found that 25 wt.% of the feedstock was composed of plastics, 6 wt.% rubber, 27 wt.% printed circuit boards, 23% wire, and the remainder metals and capacitors. Within the plastic portion, polystyrene (PS, 40 wt.%), acrylonitrile butadiene styrene (ABS, 25 wt.%), and styrene-acrylonitrile (SAN, 9wt.%) were identified to compose the majority of the screened plastics using Fourier transform infrared spectroscopy (FTIR). Next, selective solvents were screened using Hansen Solubility Parameter Theory (HSP) for dissolving PS and ABS. The pre-screening results show that methylene chloride (dichloromethane, DCM) and tetrahydrofuran (THF) are capable of dissolving the most PS and ABS, while methanol (MeOH) and ethylene glycol (EG) are capable of precipitating the most PS and ABS. These solvents were subsequently used to recover polymers and remove. flame retardants within the ESR feedstock. By optimizing the dissolution time and the solvents used, the highest polymer dissolution yield (99 wt.%%) was achieved using DCM for 48 hr. Both pre-screened anti-solvents (MeOH and EG) showed the highest polymer precipitation yield (71 wt.%). In terms of flame retardant removal rate, EG was found to have a high phosphorus-containing flame retardant removal rate (up to 98%). Characterization shows that the proposed solvent-based processing can preserve a high molecular weight fraction of the polymers and effectively remove flame retardants. Cost analysis indicates that the amount of the solvent/anti-solvent recovered after the reaction would play a critical role in reducing the operating costs. The energy analysis shows that the proposed solvent-based processes can save up to 60% of the embodied energy used to manufacture plastics used in electronics (PS and ABS were used for calculations). The results from this project prove the potential of solvent-based processing to produce secondary materials (plastics and metals) from e-waste for cross-industry reuse.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

First Sagittarius A* Event Horizon Telescope Results. VIII. Physical Interpretation of the Polarized Ring

Abstract In a companion paper, we present the first spatially resolved polarized image of Sagittarius A* on event horizon scales, captured using the Event Horizon Telescope, a global very long baseline interferometric array operating at a wavelength of 1.3 mm. Here we interpret this image using both simple analytic models and numerical general relativistic magnetohydrodynamic (GRMHD) simulations. The large spatially resolved linear polarization fraction (24%–28%, peaking at ∼40%) is the most stringent constraint on parameter space, disfavoring models that are too Faraday depolarized. Similar to our studies of M87*, polarimetric constraints reinforce a preference for GRMHD models with dynamically important magnetic fields. Although the spiral morphology of the polarization pattern is known to constrain the spin and inclination angle, the time-variable rotation measure (RM) of Sgr A* (equivalent to ≈46° ± 12° rotation at 228 GHz) limits its present utility as a constraint. If we attribute the RM to internal Faraday rotation, then the motion of accreting material is inferred to be counterclockwise, contrary to inferences based on historical polarized flares, and no model satisfies all polarimetric and total intensity constraints. On the other hand, if we attribute the mean RM to an external Faraday screen, then the motion of accreting material is inferred to be clockwise, and one model passes all applied total intensity and polarimetric constraints: a model with strong magnetic fields, a spin parameter of 0.94, and an inclination of 150°. We discuss how future 345 GHz and dynamical imaging will mitigate our present uncertainties and provide additional constraints on the black hole and its accretion flow.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Virtual element approximations of the time-fractional nonlinear convection-diffusion equation on polygonal meshes

We extend the Virtual Element Method to a two-dimensional unsteady nonlinear convection-diffusion equation characterized by a fractional-order derivative with respect to the time variable. Our methodology is based on three fundamental technical components: a fractional version of the Grunwald-Letnikov approximation, discrete maximal regularity, and the regularity theory associated with non-linearity. We prove the method's well-posedness, i.e., the approximate solution's existence and uniqueness to the time-fractional convection-diffusion equation with a Lipschitz nonlinear source term. The fully discrete scheme inherently maintains stability and consistency by leveraging the discrete maximal regularity and the energy projection operator. The convergence in the L 2 -norm and H 1 -norm to various mesh configurations is validated by numerical results, underlining the practical effectiveness of the proposed method.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

A global gridded dataset for cloud vertical structure from combined CloudSat and CALIPSO observations

Abstract. The vertical structure of clouds has a profound effect on the global energy budget, the global circulation, and the atmospheric hydrological cycle. The CloudSat and Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observations (CALIPSO) missions have taken complementary, colocated observations of cloud vertical structure for over a decade. However, no globally gridded dataset is available to the public for the full length of this unique combined data record. Here we present the 3S-GEOPROF-COMB product (Bertrand et al. 2023, https://doi.org/10.5281/zenodo.8057791), a globally gridded (level 3S) community data product summarizing geometrical profiles (GEOPROF) of hydrometeor occurrence from combined (COMB) CloudSat and CALIPSO data. Our product is calculated from the latest release (R05) of per-orbit (level-2) combined cloud mask profiles. We process a set of cloud cover, vertical cloud fraction, and sampling variables at 2.5, 5, and 10° spatial resolutions and monthly and seasonal temporal resolutions. We address the 2011 reduction in CloudSat data collection with Daylight-Only Operations (DO-Op) mode by subsampling pre-2011 data to mimic DO-Op collection patterns, thereby allowing users to evaluate the impact of the reduced sampling on their analyses. We evaluate our data product against CloudSat-only and CALIPSO-only global-gridded data products as well as four comparable surface-based sites, underscoring the added value of the combined product. Interest in the product is anticipated for the study of cloud processes, cloud–climate interactions, and as a candidate baseline climate data record for comparison to follow-up satellite missions, among other uses.

Bertrand, Leah (ORCID:0009000001607558)↗

DOE OSTI2020

Macro-physical Properties of Shallow Cumulus from Integrated ARM Observations (Final Report)

Fair-weather shallow cumuli (ShCu) play an important role in many climate-related processes. Irregular geometry of ShCu and their strong temporal and spatial variability make it challenging to observe ShCu holistically and to represent them correctly in climate models. To improve ShCu parameterizations, information on both vertically and horizontally resolved cloud properties is required. Commonly, the vertically resolved cloud properties are provided by zenith pointing lidar-radar observations with a very narrow field of view (FOV). Thus, these “pencil-beam” properties may not be representative of a larger surrounding area. Limited number of areal-averaged cloud properties, such as fractional sky cover (FSC), are offered typically by wide-FOV observations. The main goal of our project was to integrate advantages of the narrow-FOV (vertical structure of clouds) and wide-FOV (spatial arrangement of clouds) observations for an improved characterization of single-layer ShCu observed at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site for an 18-yr period (2000-2017). There are four major accomplishments of our project, First, an updated operational cloud classification for days with ShCu has been suggested and evaluated through a detailed comparison with the manually curated records. Our classification extends successfully the latest ARM cloud type Value Added Product (VAP) based on the Active Remote Sensing of Clouds (ARSCL) cloud product by incorporating both cloud fraction (CF) provided by narrow-FOV ceilometer data and FSC from wide-FOV images offered by a Total Sky Imager (TSI). Moreover, our classification allows one to identify impact of instrumentation changes at the SGP site, namely the transition to KAZRARSCL with the updated cloud radar, on the identification of periods with single-layer ShCu. Second, a new approach that resolves cloud area distributions for a given region (up to 4x4 km 2 ) has been suggested and cloud equivalent diameters (CEDs) have been estimated for the first time. These estimations have been performed over a wide range of cloud sizes (about 0.01–3.5 km) with high temporal resolution (30s) using wide-FOV TSI images and cloud base height (CBH) provided by complementary narrow-FOV lidar measurements. Our simple and computationally inexpensive approach offers a previously unavailable dataset for process studies in the convective boundary layer and evaluation of ShCu parameterizations in cloud-resolving models. Third, a long-term integrated record of ShCu macrophysical properties has been developed. The developed record represents the longest available compilation of events with ShCu and includes (i) a novel visualization of the spatial variability in cloud cover both along- and across-wind directions, (ii) updated estimates of narrow-FOV CF and wide-FOV FSC, (iii) updated narrow-FOV CBH, and (iv) complementary data, such as wind speed and direction from the 915-MHz Radar Wind Profiler (RWP) data. The developed record has been used successfully to assess conventional observational estimates of cloud cover and their sensitivity to the following two factors: (i) instrument-dependent cloud detection and data merging criteria and (ii) FOV configuration. Fourth, co-variability of the ShCu macrophysical properties and environmental parameters has been analyzed for a 3-yr period (2016-2018). Our initial analysis includes diurnal changes of FSCs obtained for clouds with small, moderate and large CEDs and several environmental parameters, such as lifted condensation level (LCL) and mixed layer height (zi). Preliminary results of our analysis suggest that the horizontal extent of ShCu is controlled substantially by the sign and magnitude of difference between these two parameters (zi-LCL): the CED tends to grow with increase of this difference (zi exceeds LCL). We have initiated relationships between the ShCu and key atmospheric parameters that control both the development and evolution of ShCu using our new data product, which combines effectively the advantages of narrow-FOV data offered by zenith pointing cloud radars and lidars and wide-FOV TSI images. While the latest instrumentation at the ARM sites may address these challenging relationships in the future, we believe that the historical ARM data at the SGP site has not yet been fully utilized. Overall, our data product can be used by researchers working on a wide range of climate-related projects. These projects may include (i) a comprehensive evaluation of outputs from the Large-Eddy Simulation (LES) and single-column models for their future improvement, (ii) the representativeness of “short-period” results obtained from the previous model and observational studies and (iii) the planning of future field campaigns with focus on improved understanding of the diurnal cycle of cumulus convection.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Editors’ Choice—Flooded by Success: On the Role of Electrode Wettability in CO 2 Electrolyzers that Generate Liquid Products

Economic operation of carbon dioxide (CO 2 ) electrolyzers generating liquid products will likely require high reactant conversions and product concentrations, conditions anticipated to challenge existing gas diffusion electrodes (GDEs). Notably, electrode wettability will increase as lower surface tension products (e.g., formic acid, alcohols) are introduced into electrolyte streams, potentially leading to flooding. To understand the hydraulically stable operating envelopes in mixed aqueous-organic liquid domains, we connect intrinsic electrode wettability descriptors to operating parameters such as electrolyte flow rate and current. We first measure contact angles of water-organic product dilutions on polytetrafluoroethylene (PTFE) and graphite surfaces as planar analogues for GDE components. We then use material balances around the reactive gas-liquid-solid interface to calculate product mass fractions as functions of water sweep rate and current. Product composition maps visualize the extent to which changes in cell performance influence capillary pressure, a determinant of GDE saturation. Analyses suggest that formic acid mixtures pose little risk for GDE flooding across a wide range of conditions, but effluents containing <30% alcohol by mass may cause flooding. This study reveals opportunities to integrate microstructural features and oleophobic surface treatments into GDEs to repel aqueous-organic mixtures and expand the window of stable operating conditions.

25 ENERGY STORAGE↗

DOE OSTI2022

Comparison of scattering ratio profiles retrieved from ALADIN/Aeolus and CALIOP/CALIPSO observations and preliminary estimates of cloud fraction profiles

The space-borne active sounders have been contributing invaluable vertically resolved information of atmospheric optical properties since the launch of Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO) in 2006. To build long-term records from space-borne lidars useful for climate studies, one has to understand the differences between successive space lidars operating at different wavelengths, flying on different orbits, and using different viewing geometries, receiving paths, and detectors. In this article, we compare the results of Atmospheric Laser Doppler INstrument (ALADIN) and Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) lidars for the period from 28 June to 31 December 2019. First, we build a dataset of ALADIN–CALIOP collocated profiles (Δdist<1°; Δtime<6 h). Then we convert ALADIN's 355 nm particulate backscatter and extinction profiles into the scattering ratio vertical profiles SR(z) at 532 nm using molecular density profiles from Goddard Earth Observing System Data Assimilation System, version 5 (GEOS-5 DAS). And finally, we build the CALIOP and ALADIN globally gridded cloud fraction profiles CF(z) by applying the same cloud detection threshold to the SR(z) profiles of both lidars at the same spatial resolution. Before comparing the SR(z) and CF(z) profiles retrieved from the two analyzed lidar missions, we performed a numerical experiment to estimate the best achievable cloud detection agreement CDA norm (z) considering the differences between the instruments. We define CDA norm (z) in each latitude–altitude bin as the occurrence frequency of cloud layers detected by both lidars, divided by a cloud fraction value for the same latitude–altitude bin. We simulated the SR(z) and CF(z) profiles that would be observed by these two lidars if they were flying over the same atmosphere predicted by a global model. By analyzing these simulations, we show that the theoretical limit for CDA$_{norm}^{theor}$(z) for a combination of ALADIN and CALIOP instruments is equal to 0.81±0.07 at all altitudes. In other words, 19 % of the clouds cannot be detected simultaneously by two instruments due to said differences. The analyses of the actual observed CALIOP–ALADIN collocated dataset containing ~78 000 pairs of nighttime SR(z) profiles revealed the following points: (a) the values of SR(z) agree well up to ~3 km height. (b) The CF(z) profiles show agreement below ~3 km, where ~80 % of the clouds detected by CALIOP are detected by ALADIN as expected from the numerical experiment. (c) Above this height, the CDA$_{norm}^{obs}$(z) reduces to ~50 %. (d) On average, better sensitivity to lower clouds skews ALADIN's cloud peak height in pairs of ALADIN–CALIOP profiles by ~0.5±0.6 km downwards, but this effect does not alter the heights of polar stratospheric clouds and high tropical clouds thanks to their strong backscatter signals. (e) The temporal evolution of the observed CDA$_{norm}^{obs}$(z) does not reveal any statistically significant change during the considered period. This indicates that the instrument-related issues in ALADIN L0/L1 have been mitigated, at least down to the uncertainties of the following CDA$_{norm}^{obs}$(z) values: 68±12 %, 55±14 %, 34±14 %, 39±13 %, and 42±14 % estimated at 0.75, 2.25, 6.75, 8.75, and 10.25 km, respectively.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Reactive transport modeling of the Aquifer Thermal Energy Storage (ATES) system at Stockton University, New Jersey during seasonal operations

Hydrogeochemical processes associated with Aquifer Thermal Energy Storage (ATES) operations can often impact the system performance owing to mineral precipitation either at the wellbore or in the aquifer owing to changes in temperature and fluid disequilibria. Although failure of ATES systems due to mineral precipitation ("fouling") is common, predictive reactive-transport models have rarely been applied to plan their design and operation. Here, the objective of this study is to develop a reactive-transport model by coupling thermal, hydrological, and chemical (THC) processes to evaluate effects of introduced atmospheric oxygen on water chemistry, mineral precipitation/dissolution, porosity, and permeability changes associated with an ATES system at Stockton University (New Jersey, USA). The THC model builds on a Thermal-Hydrological-Mechanical (THM) model of the site that evaluated system failure owing to possible fracturing in the caprock or around the wellbore. The causes of the system failure are not known – potential causes include hydraulic fracturing owing to elevated pump pressures that took place, a flow pathway created by one of the boreholes, or a pre-existing natural hydrologic connection between the upper unconfined aquifer and the ATES aquifer, any of which could have led to oxygenated water entering the reservoir and causing the observed Fe-oxide fouling on well screens. The THC model is used to evaluate some of the hypotheses and observations regarding system failure owing to geochemical processes. The reactive-transport code TOUGHREACT V4 was used to model the THC processes during seasonal heating and cooling operations at the Stockton ATES site over 6 years of operation. In the THC simulations, the primary effects on geochemistry were observed when the injection water is saturated with atmospheric oxygen. Simulations show greater precipitation of goethite near the cold wells as compared to the warm wells. Although volume fractions of Fe-hydroxides were relatively small, the model was aimed at processes in the aquifer at the scale of meters and larger rather than at the scale of mm or cm (i.e., a well screen). Kaolinite is the dominant precipitating phase, also around the cold wells. Illite dissolves near the cold wells and precipitates near the warm wells. There is a net decrease in the porosity near the cold wells and increase near the warm wells, although a slight amount of thermal contraction near the cold wells and expansion near the warm wells is responsible for a significant proportion of the porosity change. Owing to the coarse discretization of the numerical grid near the wells (compared to the screen thickness) the magnitude of permeability changes at the wellbore are likely underestimated. The reactive transport model in this study can be used for characterization of aquifers, optimizing the operational parameters (temperature, pressure, pH etc.), and planning of mitigation strategies for ATES systems.

15 GEOTHERMAL ENERGY↗