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DOE OSTI2022

Smart Spectral Matching (SSM)

Smart Spectral Matching (SSM) catalogs spectroscopic data and, within the platform, investigates subtle attributes of spectral signatures from Raman and infrared spectroscopic data and enables statistical identification of connections between underlying structural units and spectroscopic information, particularly in fuel cycle materials that are amorphous or a mixture of several phases. Catalogs spectroscopic data, provides UIs for machine learning training either via JupyterHub for notebooks or domain scientist-specific views, machine learning and catalog REST API Python client libraries, and ability to identify features in files uploaded using pre-trained machine learning models. This is a "service-based" architecture with multiple applications represented by each repository in the group https://github.com/smart-spectral-matching

McDonnell, Marshall [Oak Ridge National Lab. (ORNL↗

DOE OSTI2020

Advanced sorbents for modular oxygen production for REMS gasifiers

Under a DOE funded effort, Thermosolv LLC has been developing a sorbent-based oxygen production technology for gasification and oxy-combustion applications. The sorbents utilize oxygen-storage properties of certain perovskites to (1) selectively adsorb oxygen at moderate temperature from compressed air and (2) release the adsorbed oxygen into a vacuum or a sweep gas such as CO2 and/or steam. Through cyclic operations of multiple sorbent beds such a process can be made continuous. Pressure drop across the sorbent bed and other similar design considerations dictate that the sorbent be in the form of a high surface-area-to-volume pellet and yet still possess sufficient crush strength and integrity. Process efficiency is determined by the sorption and desorption kinetics and sorbent capacity. Typical process involves cycle times in the order of 100 seconds, a time too short to fully utilize the full volume of the sorbent and the sorption capacity of the sorbent pellets. As a part of this project, Thermosolv LLC undertook the development of oxygen sorbents as a high-surface area supported sorbent on a light-weight inert support to (1) reduce the cost, (2) increase the productivity, and (3) reduce the overall weight of the reactor. Using a previously developed perovskite (LSCF 1991) with its well-characterized performance, composite sorbent pellets each consisting of an inert core coated by a thin layer of the functional perovskite material were produced. Several low-density, inexpensive inert solids supports in the 1/8”-1/4” size were selected to keep the pressure drop across the sorbent bed in the acceptable range. A number of commercial technologies including spray coating, dip coating, incipient impregnation of porous substrate followed by thermal annealing at various temperatures and duration were employed and tested to produce robust composite supported sorbent pellets. A sense of optimum coating thickness was developed by testing sorbent pellets of various increasing diameter pellets. LSCF-1991extrudates ranging in size from 1/32” to 3/16” were tested in a TGA and in a fixed-bed pressure swing test set-up for sorption/desorption cycles of interest. The data show that for the operational conditions of interest the coating thickness for a supported sorbent pellet needs to be approximately 1/32” (about 0.8 mm). Subsequent work thereby concentrated on developing composite pellets of various substrates, shapes and sizes with coating layer of about this size range. Candidate support materials were chosen based on cost, inertness, mechanical strength, thermal expansion and chemical stability with sorbent material, and in a size range to give an acceptable pressure drop in fixed-bad reactor configurations. Coating application methods used for application of the sorbent onto the support included precipitation, spray coating and dip coating from sorbent slurries and sol gels. For all coated supports where we could successfully apply a uniform coating of desired thickness with an acceptable handling performance in terms of exfoliation, TGA-based cyclic sorption/desorption testing was performed to determine cycling capacity of oxygen. Among nearly twenty different support materials tested, best adhesion performance was obtained from stainless saddle supports. In the bench-scale fixed-bad tests stainless steel saddle support composite pellets with a coating thickness in the 0.6 mm or so range, the composite sorbent pellet performance approached up to 95% of that of the 2 mm parent material pellets. In a parallel approach to reducing the cost of the sorbent, alternate sorbent formulations replacing/reducing the amount of cobalt in the LSCF family were also investigated. Successful formulations that could match the performance of LSCF 1991 were identified based on TGA cyclic tests as LSCF 1919 and LSF 1910. In the range of operational envelop of cycle times and other relevant process operating conditions, the reduced Co formulations showed comparable performance in the bench-scale fixed-bad cyclic operations. As a part of this project, we also attempted substitution of La and Sr with Ca and Ba, and Co with Mn, Ni and Cu with little success, but the overall project goal of reducing sorbent cost in terms of raw material and manufacturing expenses was successful.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2021

High-throughput physiochemical and biogeochemical characterization for coastal soils and waters

Coastal environments span large biogeochemical gradients and provide critical ecosystem services worldwide, thereby having a disproportionately larger influence on global biogeochemical cycles and greenhouse gas fluxes than their geographical extent suggests. Despite this, cohesive quantitative tools to understand and describe these environments, including scalable, standardized field and laboratory methodologies are lacking. In this work, we advanced the streamlining and standardizing of quantitative approaches to measure and understand coastal physiochemical properties and biogeochemical processes across systems and scales. Outcomes of this work includes workflows for multiple complementary and in-line analyses, from basic physiochemical datasets to targeted molecular approaches and proof of concept through manipulation and analysis of coastal soils and waters with varying salinity, minerology, and biogeochemistry.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Global 1km Land Surface Parameters for Kilometer-Scale Earth System Modeling

Earth system models (ESMs) are progressively advancing towards the kilometer scale (k-scale). However, the surface parameters for Land Surface Models (LSMs) within ESMs running at the k-scale are typically derived from coarse resolution and outdated datasets. This study aims to develop a new set of global land surface parameters with a resolution of 1 km for multiple years from 2001 to 2020, utilizing the latest and most accurate available datasets. Specifically, the datasets consist of parameters related to land use and land cover, vegetation, soil, and topography. The new land surface parameters are tailored to meet the emerging needs of k-scale LSMs and ESMs modeling with significant implications for advancing our understanding of water, carbon, and energy cycles under global change. The data is published via PNNL DataHub.

Li, Lingcheng↗

DOE OSTI2020

Redox and Thiols in Archaea

Low molecular weight (LMW) thiols have many functions in bacteria and eukarya, ranging from redox homeostasis to acting as cofactors in numerous reactions, including detoxification of xenobiotic compounds. The LMW thiol, glutathione (GSH), is found in eukaryotes and many species of bacteria. Analogues of GSH include the structurally different LMW thiols: bacillithiol, mycothiol, ergothioneine, and coenzyme A. Many advances have been made in understanding the diverse and multiple functions of GSH and GSH analogues in bacteria but much less is known about distribution and functions of GSH and its analogues in archaea, which constitute the third domain of life, occupying many niches, including those in extreme environments. Archaea are able to use many energy sources and have many unique metabolic reactions and as a result are major contributors to geochemical cycles. As LMW thiols are major players in cells, this review explores the distribution of thiols and their biochemistry in archaea.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

Predicted performance of an Integrated Modular Engine system

Space vehicle propulsion systems are traditionally comprised of a cluster of discrete engines, each with its own set of turbopumps, valves, and a thrust chamber. The Integrated Modular Engine (IME) concept proposes a vehicle propulsion system comprised of multiple turbopumps, valves, and thrust chambers which are all interconnected. The IME concept has potential advantages in fault-tolerance, weight, and operational efficiency compared with the traditional clustered engine configuration. The purpose of this study is to examine the steady-state performance of an IME system with various components removed to simulate fault conditions. An IME configuration for a hydrogen/oxygen expander cycle propulsion system with four sets of turbopumps and eight thrust chambers has been modeled using the Rocket Engine Transient Simulator program. The nominal steady-state performance is simulated, as well as turbopump, thrust chamber, and duct failures. The impact of component failures on system performance is discussed in the context of the system's fault tolerant capabilities.

Binder, Michael↗

NASA NTRS1993

Predicted performance of an integrated modular engine system

Space vehicle propulsion systems are traditionally comprised of a cluster of discrete engines, each with its own set of turbopumps, valves, and a thrust chamber. The Integrated Modular Engine (IME) concept proposes a vehicle propulsion system comprised of multiple turbopumps, valves, and thrust chambers which are all interconnected. The IME concept has potential advantages in fault-tolerance, weight, and operational efficiency compared with the traditional clustered engine configuration. The purpose of this study is to examine the steady-state performance of an IME system with various components removed to simulate fault conditions. An IME configuration for a hydrogen/oxygen expander cycle propulsion system with four sets of turbopumps and eight thrust chambers has been modeled using the Rocket Engine Transient Simulator (ROCETS) program. The nominal steady-state performance is simulated, as well as turbopump thrust chamber and duct failures. The impact of component failures on system performance is discussed in the context of the system's fault tolerant capabilities.

Binder, Michael↗

NASA NTRS2011

Comprehensive Forced Response Analysis of J2X Turbine Bladed-Discs with 360 Degree Variation in CFD Loading

The temporal frequency content of the dynamic pressure predicted by a 360 degree computational fluid dynamics (CFD) analysis of a turbine flow field provides indicators of forcing function excitation frequencies (e.g., multiples of blade pass frequency) for turbine components. For the Pratt and Whitney Rocketdyne J-2X engine turbopumps, Campbell diagrams generated using these forcing function frequencies and the results of NASTRAN modal analyses show a number of components with modes in the engine operating range. As a consequence, forced response and static analyses are required for the prediction of combined stress, high cycle fatigue safety factors (HCFSF). Cyclically symmetric structural models have been used to analyze turbine vane and blade rows, not only in modal analyses, but also in forced response and static analyses. Due to the tortuous flow pattern in the turbine, dynamic pressure loading is not cyclically symmetric. Furthermore, CFD analyses predict dynamic pressure waves caused by adjacent and non-adjacent blade/vane rows upstream and downstream of the row analyzed. A MATLAB script has been written to calculate displacements due to the complex cyclically asymmetric dynamic pressure components predicted by CFD analysis, for all grids in a blade/vane row, at a chosen turbopump running speed. The MATLAB displacements are then read into NASTRAN, and dynamic stresses are calculated, including an adjustment for possible mistuning. In a cyclically symmetric NASTRAN static analysis, static stresses due to centrifugal, thermal, and pressure loading at the mode running speed are calculated. MATLAB is used to generate the HCFSF at each grid in the blade/vane row. When compared to an approach assuming cyclic symmetry in the dynamic flow field, the current approach provides better assurance that the worst case safety factor has been identified. An extended example for a J-2X turbopump component is provided.

Elrod, David↗

NASA NTRS2015

On Possible Arc Inception on Low Voltage Solar Array

Recent analysis of spacecraft failures during the period of 1990-2013 demonstrated clearly that electrostatic discharges caused more than 8 percent of all registered failures and anomalies, and comprised the most costly losses (25 percent) for operating companies and agencies. The electrostatic discharges on spacecraft surfaces are the results of differential charging above some critical (threshold) voltages. The mechanisms of differential charging are well known, and various methods have been developed to prevent a generation of significant electric fields in areas of triple junctions. For example, low bus voltages in Low Earth Orbit plasma environment and slightly conducting layer over cover-glass (ITO) in Geosynchronous Orbit surroundings are believed to be quite reliable measures to prevent discharges on respective surfaces. In most cases, the vulnerable elements of spacecraft (solar arrays, diode boards, etc.) go through comprehensive ground tests in vacuum chambers. However, tests articles contain the miniscule fragments of spacecraft components such as 10-30 solar cells of many thousands deployed on spacecraft in orbit. This is one reason why manufacturing defects may not be revealed in ground tests but expose themselves in arcing on array surface in space. The other reason for ineffectiveness of discharge preventive measures is aging of all materials in harsh orbital environments. The expected life time of modern spacecraft varies within the range of five-fifteen years, and thermal cycling, radiation damages, and mechanical stresses can result in surface erosion on conductive layers and microscopic cracks in cover-glass sheets and adhesive films. These possible damages may cause significant increases in local electric field strengths and subsequent discharges. The primary discharges may or may not be detrimental to spacecraft operation, but they can produce the necessary conditions for sustained arcs initiation. Multiple measures were developed to prevent sustained discharges between adjacent strings, and many ground tests were performed to determine threshold parameters (voltage and current) for sustained arcs. And again, manufacturing defects and aging in space environments may result in considerable decrease of critical threshold parameters. This paper is devoted to the analysis of possible reasons behind arcing on spacecraft with low bus voltages.

low voltage solar array↗

DOE OSTI2021

Spatial variation in soil microbial processes as a result of woody encroachment depends on shrub size in tallgrass prairie

Aims: As woody plants encroach into grassland ecosystems, we expect that altered plant-soil interactions will lead to changes in the microbial processes that affect carbon storage and nutrient cycling. Specifically, this research aimed to address how (1) soil chemistry, (2) microbial nutrient demand, and (3) the rate and source of potential soil C mineralization vary spatially under individual woody shrubs of varying size within a mesic grassland. Methods: Here, we collected soil samples from the center, the midpoint between the center and edge, the edge, and the shrub-grass ecotone of multiple Cornus drummondii shrubs across a shrub-size gradient in infrequently burned tallgrass prairie. Results: We found total soil carbon and total soil nitrogen increased with shrub size in every location but the edge. Microbial demand for nitrogen also increased as shrubs increased in size. Across all shrub sizes and sampling locations, potential soil carbon mineralization rates were higher when microbes broke down proportionally more shrub-derived (C 3 ) organic matter than grass-derived (C 4 ) organic matter. Conclusions: Our results suggest that the spatio-temporal context of woody encroachment is critical for understanding its impact on belowground microbial processes. In this ecosystem, a longer period of occupancy by woody plants increases potentially mineralizable carbon.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Incorporating Full Elastodynamic Effects and Dipping Fault Geometries in Community Code Verification Exercises for Simulations of Earthquake Sequences and Aseismic Slip (SEAS)

ABSTRACT Numerical modeling of earthquake dynamics and derived insight for seismic hazard relies on credible, reproducible model results. The sequences of earthquakes and aseismic slip (SEAS) initiative has set out to facilitate community code comparisons, and verify and advance the next generation of physics-based earthquake models that reproduce all phases of the seismic cycle. With the goal of advancing SEAS models to robustly incorporate physical and geometrical complexities, here we present code comparison results from two new benchmark problems: BP1-FD considers full elastodynamic effects, and BP3-QD considers dipping fault geometries. Seven and eight modeling groups participated in BP1-FD and BP3-QD, respectively, allowing us to explore these physical ingredients across multiple codes and better understand associated numerical considerations. With new comparison metrics, we find that numerical resolution and computational domain size are critical parameters to obtain matching results. Codes for BP1-FD implement different criteria for switching between quasi-static and dynamic solvers, which require tuning to obtain matching results. In BP3-QD, proper remote boundary conditions consistent with specified rigid body translation are required to obtain matching surface displacements. With these numerical and mathematical issues resolved, we obtain excellent quantitative agreements among codes in earthquake interevent times, event moments, and coseismic slip, with reasonable agreements made in peak slip rates and rupture arrival time. We find that including full inertial effects generates events with larger slip rates and rupture speeds compared to the quasi-dynamic counterpart. For BP3-QD, both dip angle and sense of motion (thrust versus normal faulting) alter ground motion on the hanging and foot walls, and influence event patterns, with some sequences exhibiting similar-size characteristic earthquakes, and others exhibiting different-size events. These findings underscore the importance of considering full elastodynamics and nonvertical dip angles in SEAS models, as both influence short- and long-term earthquake behavior and are relevant to seismic hazard.

Geochemistry & Geophysics↗

NASA NTRS1991

Data distribution satellite

A description is given of a data distribution satellite (DDS) system. The DDS would operate in conjunction with the tracking and data relay satellite system to give ground-based users real time, two-way access to instruments in space and space-gathered data. The scope of work includes the following: (1) user requirements are derived; (2) communication scenarios are synthesized; (3) system design constraints and projected technology availability are identified; (4) DDS communications payload configuration is derived, and the satellite is designed; (5) requirements for earth terminals and network control are given; (6) system costs are estimated, both life cycle costs and user fees; and (7) technology developments are recommended, and a technology development plan is given. The most important results obtained are as follows: (1) a satellite designed for launch in 2007 is feasible and has 10 Gb/s capacity, 5.5 kW power, and 2000 kg mass; (2) DDS features include on-board baseband switching, use of Ku- and Ka-bands, multiple optical intersatellite links; and (3) system user costs are competitive with projected terrestrial communication costs.

Price, Kent M.↗

NASA NTRS2004

A GEO Hyperspectral Mission For Continental-Scale Carbon Cycle Observations

For both terrestrial and ocean carbon cycle science objectives, a hyperspectral geostationary sensor should enable the development of new remote sensing measurements for important but as yet unobservable variables, and with the overall goal of linking both terrestrial and ocean carbon cycle processes to climate variability. For terrestrial research, accurate estimates of carbon, water and energy (CWE) exchange between the terrestrial biosphere and atmosphere are needed to identify the geographical locations of carbon sources/sinks and to improve regional climate models and global climate change assessments. It is an enormous challenge to estimate CWE exchange from the infrequent temporal coverage provided by most polar-orbiting satellites, and without benefit of spectral indices that capture vegetation responses to stress conditions that down-regulate photosynthesis. Physiological status can be better assessed with spectral indices based on continuous, narrow (5 nm) bands, as can seasonal and annual terrestrial productivity. For coastal and ocean constituents, narrow-band observations in the ultraviolet and visible are essential to investigate the variability, dynamics and biogeochemical cycles of the world s coastal and open ocean regions, which will in turn help in measuring ocean productivity and predicting the variability of Ocean carbon uptake and its role in climate change scenarios. The GSFC Carbon Team has been pursuing a geostationary hyperspectral instrument, which would revolutionize our knowledge of biological processes on land, in the ocean, and along the coast by providing multiple, diurnal coverage. Preliminary studies in Goddard's Instrument Synthesis and Analysis Laboratory (ISAL) indicate that we can meet many of our science requirements: full spectral coverage (360-1000 nm); narrow bandwidths (5-10 nm); adequate ground resolution (100-200 m); and continental-scale coverage 4-6 times per day; all the while achieving a signal to noise ratio of between 500 and 1000 to 1. However, an innovative and bold focal plane design and a large mirror (1.8 meter diameter) would be required. The development of our science requirements and the results of the initial design study will be presented as well as our most recent technological developments.

Gervin, Janette C.↗

NASA NTRS2017

Global Clear-Sky Surface Skin Temperature from Multiple Satellites Using a Single-Channel Algorithm with Angular Anisotropy Corrections

Surface skin temperature (T(sub s)) is an important parameter for characterizing the energy exchange at the ground/water-atmosphere interface. The Satellite ClOud and Radiation Property retrieval System (SatCORPS) employs a single-channel thermal-infrared (TIR) method to retrieve T(sub s) over clear-sky land and ocean surfaces from data taken by geostationary Earth orbit (GEO) and low Earth orbit (LEO) satellite imagers. GEO satellites can provide somewhat continuous estimates of T(sub s) over the diurnal cycle in non-polar regions, while polar T(sub s) retrievals from LEO imagers, such as the Advanced Very High Resolution Radiometer (AVHRR), can complement the GEO measurements. The combined global coverage of remotely sensed T(sub s), along with accompanying cloud and surface radiation parameters, produced in near-realtime and from historical satellite data, should be beneficial for both weather and climate applications. For example, near-realtime hourly T(sub s) observations can be assimilated in high-temporal-resolution numerical weather prediction models and historical observations can be used for validation or assimilation of climate models. Key drawbacks to the utility of TIR-derived T(sub s) data include the limitation to clear-sky conditions, the reliance on a particular set of analyses/reanalyses necessary for atmospheric corrections, and the dependence on viewing and illumination angles. Therefore, T(sub s) validation with established references is essential, as is proper evaluation of T(sub s) sensitivity to atmospheric correction source. This article presents improvements on the NASA Langley GEO satellite and AVHRR TIR-based T(sub s) product that is derived using a single-channel technique. The resulting clear-sky skin temperature values are validated with surface references and independent satellite products. Furthermore, an empirically adjusted theoretical model of satellite land surface temperature (LST) angular anisotropy is tested to improve satellite LST retrievals. Application of the anisotropic correction yields reduced mean bias and improved precision of GOES-13 LST relative to independent Moderate-resolution Imaging Spectroradiometer (MYD11_L2) LST and Atmospheric Radiation Measurement Program ground station measurements. It also significantly reduces inter-satellite differences between LSTs retrieved simultaneously from two different imagers. The implementation of these universal corrections into the SatCORPS product can yield significant improvement in near-global-scale, near-realtime, satellite-based LST measurements. The immediate availability and broad coverage of these skin temperature observations should prove valuable to modelers and climate researchers looking for improved forecasts and better understanding of the global climate model.

Scarino, Benjamin R.↗

DOE OSTI2024

Quantifying microbial roles in environmental iron oxidation via an integrated kinetics, `omics and metabolic modeling study (Final Report)

Iron oxyhydroxides are extremely reactive components of environmental systems, and therefore exert a strong influence on biogeochemical cycles. These oxyhydroxides strongly adsorb many biologically-relevant elements, including organic carbon and phosphate, as well as a wide range of metals including uranium and actinide species. Thus, the formation mechanism of iron oxyhydroxides are key to understanding both nutrient and contaminant cycling. Microorganisms can catalyze iron oxidation and promote the formation of Fe biominerals and thus are increasingly recognized as important players in biogeochemical cycling. However, it is completely unknown how much of environmental iron oxidation is biologically mediated versus abiotic, and various challenges in studying microbial iron oxidation have hindered accurate incorporation into hydrobiogeochemical models. The overarching goal of our work was to quantify and constrain microbial iron oxidation rates and use ‘omics to gain insight into the controls on this process, while developing tools to enable integration of biotic iron oxidation into hydrobiogeochemical models. Our work focused on the Savannah River Site (SRS) in South Carolina, where extensive microbial iron oxidation has been observed. At Tims Branch, part of the Argonne National Laboratory Wetland Hydrobiogeochemistry Science Focus Area (Argonne SFA), where groundwater discharges into a stream, iron-oxidizing microbial mats form and appear to be a major sink of uranium. In the wetlands that surround Tims Branch, there are wide swaths of iron microbial mats and flocs (mobilized mat). We measured biotic and abiotic iron oxidation rates using mats and water sampled from these sites and found that iron oxidation is primarily carried out by chemolithotrophic microorganisms. The resulting rate constants can be incorporated into models. These mats were characterized by metagenomics and metatranscriptomics, which showed that aerobic chemolithotrophs were the dominant iron-oxidizing bacteria (FeOB), and these included Gallionellaceae and Leptothrix, and possibly Rhodoferax, which is known as an Fe-reducer but may also oxidize Fe(II). This demonstrated that diverse FeOB can coexist and suggests that there are a range of niches and therefore drivers of chemolithotrophic iron oxidation. Analysis of reconstructed genomes strongly suggests that a major factor in diversity is carbon source, as genomes contained varied pathways for autotrophy and heterotrophy. We performed an in-depth analysis of Leptothrix ochracea genomes, since this sheath-former is one of the primary mat builders, yet its physiology remained unresolved. A combination of genomics, transcriptomics, and metabolic modeling suggest that L. ochracea grows mixotrophically using a combination of Fe(II) and organics for energy and both inorganic and organic carbon to create biomass. This contrasts with the largely autotrophic Gallionellaceae (Gallionella, Sideroxydans, and Ferriphaselus) also present in the mats and flocs. Remarkably, multiple FeOB, both Leptothrix and Gallionellaceae, showed activity in response to Fe(II) in live mat incubations. We tracked the gene expression of individual MAGs to Fe(II) and found that various autotrophic and heterotrophic FeOB responded to Fe(II), increasing expression of both carbon fixation and organic utilization genes. The results of the integrated field, kinetics, and omics studies give detailed insight into 1) the taxa that oxidize Fe, and 2) how they connect Fe, C, and N cycles. Towards the goal of connecting omics data to hydrobiogeochemical models, we worked with the KBase team to create a template metabolic model for chemolithotrophic iron oxidation. We initially modeled the well-characterized isolate Gallionellaceae Sideroxydans lithotrophicus, and also applied the model to the mixotroph L. ochracea. In all, we have characterized diverse FeOB in a representative wetland system and solved key problems that enable better incorporation of iron-oxidizing microbes into hydrobiogeochemical models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Leveraging Electrons for Electrochemical CO 2 Capture Using a Hemi‐Labile Iron Complex

Climate change, driven by anthropogenic carbon emissions, demands urgent action to prevent a 2050 tipping point. With CO 2 levels at 427 ppm (50% above pre-industrial levels), deploying energy-efficient carbon capture technologies is crucial. Electrochemical carbon capture processes that have been touted to have the potential to meet these needs rely on the applied cell voltage, and electron utilization (CO 2 molecules separated per electron), which has generally been asserted to have a theoretical limit of one. Here, we introduce an electron-leveraging strategy to enhance electron utilization beyond this limit to 1.43 by employing Fe-EDDHA, a redox-active coordination complex having a ligand with multiple hemi-labile coordination sites. The reversibility and robustness of the system were enabled by the efficient prevention of CO 2 reduction upon the introduction of nicotinamide as a guardian of the iron(2+) center. The proof-of-concept cyclic system exhibits a minimum operational energy of 22.6 kJ e mol −1 and an average of 63.7 kJ e mol −1 over 29 cycles, using a simulated flue gas (15% CO 2 ). Our electron-leveraging strategy holds promise for advancing energy-efficient electrochemical carbon capture technologies, and offers an alternative to prevalent redox potential shifting methods proposed to mitigate undesired electron transfer reactions in redox-active materials across diverse operational conditions.

carbon storage↗

DOE OSTI2024

Mechanical and electrical changes in electrochemically active polyimide binders for Li-ion batteries

Polyimide binders are often used in electrodes made with silicon for lithium-ion batteries for their mechanical strength and adhesion, which help mitigate mechanical issues associated with large volumetric expansion. These binders can be electrochemically active, but it is difficult to characterize what physical and chemical changes occur due to a composite electrode with multiple components and processes at play. Here, in this work, we study electrodes consisting only of polyimide binder and conductive carbon, using scanning probe-based techniques—contact resonance, force volume, and scanning spreading resistance microscopy—along with cryo-scanning transmission electron microscopy, electron energy loss spectroscopy, and energy dispersive X-ray spectroscopy. We show that lithium becomes trapped in the binder during cycling and results in large initial capacity losses, the formation of dendrite-like features, column-like domains of significantly increased mechanical modulus, and a slight increase in electronic resistivity.

25 ENERGY STORAGE↗

DOE OSTI2026

Characterization of UV optical components for photon detector calibration in liquid argon TPCs

Large liquid argon time projection chambers (LArTPCs)require stable and well-characterized delivery of ultraviolet (UV)light for in situ calibration of photosensors at cryogenictemperatures. This article reports bench-top and cryogenicmeasurements of the optical components used in a UV lightcalibration system, including multi-mode fused-silica fibers,SMA-to-SMA connectors, optical fiber feedthroughs, andlight-diffuser assemblies. Light loss in several fiber types and SMAconnectors was measured across wavelengths from275–970 mm. In addition,light-loss measurements of the tested fibers after severalliquid-nitrogen thermal cycles showed no statistically significantdegradation relative to baseline measurements, and high-rate pulsedexposure (30–90 million pulses from a275 nm LED) likewise showed nomeasurable aging in jacketed fibers. A compact, palm-sized,3D-printed PEEK diffuser housing with stacked UV-grade fused-silicadiffusers yields Lambertian emission and the most uniform angulardistribution. Optical components exhibiting improved UV transmissionwere deployed successfully in multiple DUNE small- and large-scaleprototypes, demonstrating reliable operation of UV light calibrationsystem. These findings inform component selection and calibrationprocedures for achieving reliable, uniform UV light delivery inlarge-scale cryogenic detectors such as DUNE.

Behera, B. [South Dakota Sch. Mines Tech.] (ORCID:↗