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

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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

The Helicity Sign of Flux Transfer Event Flux Ropes and Its Relationship to the Guide Field and Hall Physics in Magnetic Reconnection at the Magnetopause

Flux Transfer Events (FTEs) are transient magnetic flux ropes typically found at the Earth's magnetopause on the dayside. While it is known that FTEs are generated by magnetic reconnection, it remains unclear how the details of magnetic reconnection controls their properties. A recent study showed that the helicity sign of FTEs positively correlates with the east-west (B y ) component of the Interplanetary Magnetic Field (IMF). With data from the Cluster and Magnetospheric Multiscale missions, we performed a statistical study of 166 quasi force-free FTEs. We focus on their helicity sign and possible association with upstream solar wind conditions and local magnetic reconnection properties. Using both in situ data and magnetic shear modeling, we find that FTEs whose helicity sign corresponds to the IMF B y are associated with moderate magnetic shears while those that do not correspond to the IMF B y are associated with higher magnetic shears. While uncertainty in IMF propagation to the magnetopause may lead to randomness in the determination of the flux rope core field and helicity, we rather propose that for small IMF B y , which corresponds to high shear and low guide field, the Hall pattern of magnetic reconnection determines the FTE core field and helicity sign. In that context we explain how the temporal sequence of multiple X-line formation and the reconnection rate are important in determining the flux rope helicity sign. This work highlights a fundamental connection between kinetic processes at work in magnetic reconnection and the macroscale structure of FTEs.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

REopt Lite User Manual

REopt Lite evaluates the economic viability of grid-connected solar photovoltaics, wind, combined heat and power, and electric and thermal storage at commercial and small industrial sites. It allows building owners to identify the system sizes and dispatch strategies that minimize the site’s life cycle cost of energy. REopt Lite also estimates the amount of time on-site generation and storage can sustain the site's critical load during a grid outage and allows the user the choice of optimizing for energy resilience. It is primarily used to inform project development decisions and to support research on the factors that drive project feasibility for market development and policy analysis. It is available through a web interface, application programing interface, and open-source code. This user manual provides an overview of the model, including its capabilities and typical applications; inputs and outputs; economic calculations; technology descriptions; and model parameters, variables, and equations. The model is highly flexible and is continually evolving to meet the needs of each analysis. Therefore, this report is not an exhaustive description of all capabilities, but rather a summary of the core components of the model.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

ZPPR-15 Small Reactivity Worth Experiments

In addition to measuring the worth of sodium voiding and the worth of simulated control rods, the ZPPR staff measured the Doppler worth of four standard samples, the worth of axial expansion and the worth of radial bowing in ZPPR-15. Doppler sample worths were measured in ZPPR-15A, ZPPR-15B and ZPPR-15D. The Doppler samples were natural UO 2 , depleted uranium metal, depleted U-10Zr alloy and 33% enriched UO 2 . These samples were placed in a sample capsule in the inner core of ZPPR-15 and heated to various temperatures between 300 K and 1100 K. The resulting changes in reactivity relative to the reference configuration were measured to determine the Doppler worths of the samples. Special segmented drawers were constructed to measure the worth of axial expansion in ZPPR15. The segments were connected to each other, and the back segment was connected to a spring-loaded cable. Pulling the cable introduced small gaps between drawer segments to simulate axial expansion, and releasing the cable eliminated those gaps. The worth of this simulated axial expansion was measured in ZPPR-15A, ZPPR-15B and ZPPR-15D. The worth of radial bowing was measured in ZPPR-15, but the experimenters regarded the result as unsatisfactory. Radial bowing was measured by two methods in ZPPR-17A, so the ZPPR-17A bowing measurements were analyzed in place of the unpublished ZPPR-15 radial bowing measurement. The first ZPPR-17A measurement consisted of rearranging the plates in 96 core drawers at the core-radial blanket boundary to simulate outward motion of the fuel during bowing. The second ZPPR-17A measurement used a new bowing oscillator to move the core plates a small distance vertically in a special drawer. The published uncertainties for the Doppler worth, axial expansion worth and radial bowing worth measurements are the statistical uncertainties in the measurements. In reality, the published uncertainty for each of these measurements is just one component of the total uncertainty. There are additional uncertainties specific to each measurement and a common uncertainty related to conversion from the natural measurement units, cents, to pcm for calculations. A full uncertainty analysis was performed for each measurement. The significant uncertainties were quantified, and a total uncertainty was determined for each measurement. The ZPPR-15 and ZPPR-17A experimental records were used to create detailed as-built Monte Carlo models of the Doppler worth, axial expansion and radial bowing measurement configurations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

A competition between 2D and 3D magnetic orderings in novel mixed valent copper frameworks

Low-dimensional hybrid inorganic–organic frameworks exhibit high structural flexibility and allow for the inclusion of various magnetic and optically-active species into their host structures. The emergence of copper-based hybrid structures for various optical applications provides a promising foundation for exploring the integration of magnetic sublattices, paving the way for advancements in magneto-optical coupling and multifunctional materials. Herein, we introduce a novel class of hybrid copper frameworks with covalently-connected alternating magnetic 2D copper(II) formate and non-magnetic copper(I) bromide layers. The anionic framework is stabilized by A + cations to form ACu 5 Br 4 (COOH) 4 (A + = Na + , K + , Rb + , NH 4 + ) semiconductors (bandgaps 2.1–2.2 eV) with optical transitions suitable for optoelectronic applications. Comprehensive magnetometry studies show that ACu 5 Br 4 (COOH) 4 compounds exhibit low-dimensional 2D short-range antiferromagnetic order within the formate layers, characterized by strong exchange coupling (J/k B ∼ −100 K). Upon further temperature reduction, interactions between Cu(II) layers give rise to 3D long-range magnetic order at ∼40 K, despite the large (8.6–8.8 Å) spatial separation of the magnetic Cu(II) formate layers by nonmagnetic Cu(I)–Br bridging layers. This transition is further supported by electron paramagnetic resonance (EPR) spectroscopy. In conclusion, this study expands our understanding of low-dimensional hybrid frameworks and opens new avenues for the design of 2D multifunctional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Stability Analysis of Substituted Cobaltocenium [Bis(cyclopentadienyl)cobalt(III)] Employing Chemistry-Informed Neural Networks

Cobaltocenium derivatives are promising components of the anion exchange membranes due to their excellent thermal and alkaline stability under the operating conditions of a fuel cell. Here we present an efficient modeling approach of assessing the chemical stability of substituted cobaltocenium CoCp 2 + based on the computed electronic structure enhanced by machine learning techniques. Within the aqueous environment, the positive charge of the metal cation is balanced by the hydroxide anion through formation of the CoCp 2 + OH¯ complexes, whose dissociation is studied within the implicit solvent employing density functional theory. The data set of about 118 species based on 42 substituent groups characterized by a range of electron- donating (ED) and electron-withdrawing (EW) properties is constructed and analyzed. Given 12 carefully chosen chemistry-informed descriptors of the complexes and relevant fragments, the stability of the complexes is found to strongly correlate with the energies of the highest occupied and lowest unoccupied molecular orbitals, modulated by a switching function of the Hirshfeld charge. The latter is used as a measure of the electron withdrawing-donating character of the substituents. Based on this observation from the conventional regression analysis, two fully connected, feed-forward neural network (FNN) models with different unit structures, called the chemistry-informed (CINN) and the quadratic (QNN) neural networks, are developed. Both models predict the bond dissociation energies of the cobaltocenium complexes with mean relative errors less than 5.40% and average absolute errors less than 0.94 kcal/mol. The results show the potential of QNN to efficiently capture more complex relationships. Here, the concept of incorporating the domain (chemical) knowledge/insight into the neural network structure paves the way to applications of machine learning techniques with small data sets, ultimately leading to better predictive models compared to the conventional regression analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Holographic thermal correlators: a tale of Fuchsian ODEs and integration contours

We analyze real-time thermal correlation functions of conserved currents in holographic field theories using the grSK geometry, which provides a contour prescription for their evaluation. We demonstrate its efficacy, arguing that there are situations involving components of conserved currents, or derivative interactions, where such a prescription is, in fact, essential. To this end, we first undertake a careful analysis of the linearized wave equations in AdS black hole backgrounds and identify the branch points of the solutions as a function of (complexified) frequency and momentum. All the equations we study are Fuchsian with only regular singular points that for the most part are associated with the geometric features of the background. Special features, e.g., the appearance of apparent singular points at the horizon, whence outgoing solutions end up being analytic, arise at higher codimension loci in parameter space. Using the grSK geometry, we demonstrate that these apparent singularities do not correspond to any interesting physical features in higher-point functions. We also argue that the Schwinger-Keldysh collapse and KMS conditions, implemented by the grSK geometry, continue to hold even in the presence of such singularities. For charged black holes above a critical charge, we furthermore demonstrate that the energy density operator does not possess an exponentially growing mode, associated with ‘pole-skipping’, from one such apparent singularity. Our analysis suggests that the connection between the scrambling physics of black holes and energy transport has, at best, a limited domain of validity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Characterizing skyrmion flow phases with principal component analysis

Principal component analysis (PCA) is a powerful method that can identify patterns in large, complex data sets by constructing low-dimensional order parameters from higher-dimensional feature vectors. There are increasing efforts to use space-and-time-dependent PCA to detect transitions in nonequilibrium systems that are difficult to characterize with equilibrium methods. Here, we demonstrate that feature vectors incorporating the position and velocity information of driven skyrmions moving through random disorder permit PCA to resolve different types of disordered skyrmion motion as a function of driving force and the ratio of the Magnus force to the dissipation. Since the Magnus force creates gyroscopic motion and a finite Hall angle, skyrmions can exhibit a greater range of flow phases than what is observed in overdamped driven systems with quenched disorder. We show that in addition to identifying previously known skyrmion flow phases, PCA detects several additional phases, including different types of channel flow, moving fluids, and partially ordered states. Guided by the PCA analysis, we further characterize the disordered flow phases to elucidate the different microscopic dynamics and show that the changes in the PCA-derived order parameters can be connected to features in bulk transport measures, including the transverse and longitudinal velocity-force curves, differential conductivity, topological defect density, and changes in the skyrmion Hall angle as a function of drive. We discuss how asymmetric feature vectors can be used to improve the resolution of the PCA analysis, and how this technique can be extended to find disordered phases in other nonequilibrium systems with time-dependent dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Machine Learning to Identify Geologic Factors Associated with Production in Geothermal Fields: A Case-Study Using 3D Geologic Data from Brady Geothermal Field and NMFk

In this paper, we present an analysis using unsupervised machine learning (ML) to identify the key geologic factors that contribute to the geothermal production in Brady geothermal field. Brady is a hydrothermal system in northwestern Nevada that supports both electricity production and direct use of hydrothermal fluids. Transmissive fuid-fow pathways are relatively rare in the subsurface, but are critical components of hydrothermal systems like Brady and many other types of fuid-fow systems in fractured rock. Here, we analyze geologic data with ML methods to unravel the local geologic controls on these pathways. The ML method, non-negative matrix factorization with k-means clustering (NMFk), is applied to a library of 14 3D geologic characteristics hypothesized to control hydrothermal circulation in the Brady geothermal field. Our results indicate that macro-scale faults and a local step-over in the fault system preferentially occur along production wells when compared to injection wells and non-productive wells. We infer that these are the key geologic characteristics that control the through-going hydrothermal transmission pathways at Brady. Our results demonstrate: (1) the specific geologic controls on the Brady hydrothermal system and (2) the efficacy of pairing ML techniques with 3D geologic characterization to enhance the understanding of subsurface processes. This submission includes the published journal article detailing this work, the published 3D geologic map of the Brady Geothermal Area used as a basis to develop structural and geological variables that are hypothesized to control or effect permeability or connectivity, 3D well data, along which geologic data were sampled for PCA analyses, and associated metadata file. This work was done using the GeoThermalCloud framework, which is part of SmartTensors (both are linked below).

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

National Spherical Torus eXperiment - Upgrade NSTX-U: Structural Analysis of Passive Plates Support Brackets

The objective of this analysis is to estimate and assess the stresses in the passive plates caused by a limiting plasma disruption. The objective of this calculation is also to address observed damage to mounting hardware after completion of NSTX operation. These observations initiated diagnostic efforts during the Upgrade project to monitor the severity of the disruptions that were causing the damage, and planned instrumentation to trend the behavior of the mounting hardware. The Recovery Project mission for the passive plate hardware is to appropriately reinforce the passive plates with stainless steel ribs mounted on the back of the plate to reduce their flexure and stress and reinforcements of the “biscuit” components of the bracketry to transfer loads without damage to bolts, biscuits, and bracket plates and welds. Mid-plane disruptions and quenches were manageable with NSTX vintage hardware. The Vertical Displacement Event (VDE) disruptions position the plasma closer to the passive plates and are more severe than the centered plasma. Earlier work pointed to the P1-P5 VDE as limiting. This has been confirmed by A. Brooks work in support of the load generation effort in reference. During vertical displacement large counter currents are generated in the plate as the plasma approaches it. - as would be expected from passive plates. When the plasma disrupts the currents in the plates are reversed, which also reverses the loading on the plates. This report documents the methodology and results of transient structural analysis on the plasma, passive plates support brackets. The loads induced by eddy and halo currents have been considered, and were generated using a separate electromagnetic analysis (NSTXU_1_11_2_1_CALC_051). The structural model also incorporates the effects from preload. Calculation was performed with the assumption that existing biscuits are not participating in the load bearing except the biscuits connected to jumper bolts, which are fully engaged. Results show that with the planned reinforcements, Passive plates and mounting structures satisfy static and fatigue criteria in all areas except welds, where separate analysis was performed. Both symmetric and asymmetric (with locating block) designs were analyzed, and although stresses were higher without locating block they still satisfy NSTX design criteria.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Microbial Communities Influence Soil Dissolved Organic Carbon Concentration by Altering Metabolite Composition

Rapid microbial growth in the early phase of plant litter decomposition is viewed as an important component of soil organic matter (SOM) formation. However, the microbial taxa and chemical substrates that correlate with carbon storage are not well resolved. The complexity of microbial communities and diverse substrate chemistries that occur in natural soils make it difficult to identify links between community membership and decomposition processes in the soil environment. To identify potential relationships between microbes, soil organic matter, and their impact on carbon storage, we used sand microcosms to control for external environmental factors such as changes in temperature and moisture as well as the variability in available carbon that exist in soil cores. Using Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) on microcosm samples from early phase litter decomposition, we found that protein- and tannin-like compounds exhibited the strongest correlation to dissolved organic carbon (DOC) concentration. Proteins correlated positively with DOC concentration, while tannins correlated negatively with DOC. Through random forest, neural network, and indicator species analyses, we identified 42 bacterial and 9 fungal taxa associated with DOC concentration. The majority of bacterial taxa (26 out of 42 taxa) belonged to the phylum Proteobacteria while all fungal taxa belonged to the phylum Ascomycota. Additionally, we identified significant connections between microorganisms and protein-like compounds and found that most taxa (12/14) correlated negatively with proteins indicating that microbial consumption of proteins is likely a significant driver of DOC concentration. This research links DOC concentration with microbial production and/or decomposition of specific metabolites to improve our understanding of microbial metabolism and carbon persistence.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

HELIOCOMM: Wireless Controls State-of-the-Art Report

This report introduces the concept of wireless controls in heliostat-based concentrating solar thermal power (CSP) systems. Specifically, the need for wireless communications to be implemented within the heliostat-based CSP systems is identified versus the existing approaches that follow wireline connections which suffer from high installation, operation, and maintenance cost. Furthermore, this report analyzes the most recent advances in the field of developing wireless controls in heliostat-based CSP systems, which are highlighted to be in their infancy given the primitive wireless networking solutions that they currently utilize and test. The main contribution of this report is the introduction of a novel HELIOCOMM system that supports the wireless controls in heliostat-based CSP systems by exploiting the next generation networking technology of integrated access and backhaul. Furthermore, the proposed HELIOCOMM system performs an artificial intelligent clustering approach of the heliostats and clusterhead selection and develops an entropy-based routing model to enable the heliostats to communicate with the central station by considering their energy availability and network traffic. Also, towards efficiently exploiting the limited resources in the developed wireless communication system, a resource allocation module is introduced that performs the maximization of the energy efficiency of each heliostat by minimizing its corresponding experienced end-to-end latency to communicate with the central station, while performing an intelligent bandwidth splitting in the access and backhaul wireless links. The overall architecture is presented, and its individual building components are discussed in detail.

14 SOLAR ENERGY↗
DOE OSTI2021

Evaluating Utility-Scale PV-Battery Hybrids in an Operational Model for the Bulk Power System

Systems that combine solar photovoltaic and battery energy storage technologies (PV-BES) are increasingly being proposed and deployed on the bulk power system. The operations and value of PV-BES systems have been extensively studied from the project developer's perspective through analyses that maximize plant-level revenue. However, PV-BES hybrids' operational characteristics are seldom studied from the perspective of bulk power system operators, who seek to optimize the performance of a suite of generation and storage assets that are connected via the transmission network. This work presents modeling approaches for representing and evaluating PV-BES hybrids in a model that optimizes operations across the bulk power system. Its novel contributions include demonstrating a technique to modify a unit commitment and dispatch model to represent the operational synergies of PV-BES hybrids. In particular, we describe the challenges and an approach for representing so-called DC-coupled PV-BES - which utilize a single bi-directional inverter - as a dispatchable resource in a commercial, production cost model (PCM), PLEXOS. We demonstrate this technique in a PCM study of the Los Angeles Department of Water and Power (LADWP) test system, by replacing existing PV and battery generators on the test system with our PV-BES hybrids. We then pursue scenario analysis that is designed to isolate the various drivers of operational strategies for DC-coupled PV-BES hybrids, including the nature of coupling, PV penetration on the system, and varying inverter loading ratios (or degrees of over-sizing of the PV field). Results from the analysis include utilization profiles for the PV DC energy across available pathways, dispatch profiles for the battery component, and the hybrid technologies' impacts on system-wide production costs. The approach presented in this paper can be used in any PCM that is looking to study PV-BES hybrids as a resource in different power system configurations and services.

14 SOLAR ENERGY↗
DOE OSTI2026

Reaction Optimization for Enzymatic Deconstruction of Industrially Relevant Nylon Composites

Plastics such as polyamides (PAs) possess unique physicochemical properties that make them indispensable in modern society. However, their energy‐intensive production and challenging end‐of‐life management highlight the urgent need for efficient recycling or remanufacturing solutions. Enzymatic depolymerization offers a promising route toward circular recycling, yet remains constrained by limited enzyme characterization, lack of validation under industrially relevant conditions and substrates, and overall performance. Here, we optimized the reaction conditions for three recently discovered nylon‐degrading enzymes. One of them, Nyl12, achieved product titers with PA6 and PA66 that exceed previously reported values, without enzyme engineering or substrate pretreatment. We further demonstrated the scalability of the process and its application to complex PA‐based materials used in microelectronic components. Analysis of substrate features, including surface area and particle size, revealed key parameters governing enzymatic activity and provided a framework for future pretreatment and process optimization efforts. In combination, these efforts provide a new benchmark for enzymatic nylon recycling.

nylon↗
DOE OSTI2025

IM3 Projected US Data Center Locations

IM3 Projected US Data Center Locations This dataset contains model projections of new data center facilities in the contiguous United States (CONUS) through 2035 using the CERF – Data Centers model. Data center locations are modeled across four data center electricity demand growth scenarios (low, moderate, high, higher) and five market gravity scenarios (0%, 25%, 50%, 75%, 100%). Projected locations are intended to be regional representations of feasible siting locations in the future to assess potential grid and water stress impacts. The data center load growth scenarios correspond with the rates outlined in EPRI (2024) and include 3.71%, 5%, 10%, and 15% annual growth of electricity demand for data centers from 2023 values in 37 states across the CONUS. Market gravity scenarios correspond to the relative importance of proximity to data center markets or high population areas compared to locational cost in the siting algorithm. 0% market gravity means that siting decisions were entirely determined by the locational cost in each feasible location. 100% market gravity means that only market proximity was considered when siting. Other scenarios have weight placed on both components where total weight always equals 100%. Locational cost is dependent on facility cooling type and corresponding electricity cost, taxes, and other factors. Facility cooling type is spatially determined where high water stress and/or areas with high summer wet bulb temperatures are assumed to operate with mechanical cooling for a higher fraction of the year rather than evaporative cooling. Feasible data center siting areas are based on geospatial suitability raster data developed with open-source information. The following areas are excluded from siting: Areas within 300 m of a federal airport runway Waterbodies Areas with slope >16% Areas susceptible to sinkholes High coastal or inland flood risk areas Local, state, and federal parks, leisure areas, and cemeteries Areas >2 km away from electric substations Areas >5 km away from a municipal water supplier service area Areas >2 km away from high-speed fiber provider service territory Protected Areas Database of the United States (PAD-US) areas Railroads, major roadways, and minor roadways Military areas and training grounds NLCD developed lands Areas >0.8 km (0.5 miles) from NLCD developed lands Because we use open-source information, proprietary information that can influence siting decisions such as individual tax agreements with cities, detailed fiber line connectivity, electric grid power capacity agreements, and others, are not currently accounted for in the modeling process. Using specific building locations and footprints in the dataset for local planning purposes is not advised. Technical Information Geospatial data is provided in geojson format using the Albers Equal Area Conic (ESRI:102003) coordinate reference system. The datasets contain the following parameters: id - unique identification number within given scenario file growth_scenario – data center demand growth scenario market_gravity_weight – market gravity weight scenario (%) region – name of region (i.e., US State) total_cost_million_usd – locational siting cost ($million) campus_size_square_ft – total land acquired for data center facility (square ft) data_center_it_power_mw – IT power of data center facility (MW) mechanical_cooling_frac – fraction of year when data center uses mechanical cooling system water_cooling_frac– fraction of year when data center uses evaporative cooling system cooling_energy_demand_mwh – total annual facility energy demand for cooling (MWh) cooling_water_demand_mgy – total annual facility water demand for cooling (MG) cooling_water_consumption_mgy – total annual facility water consumed (MG) normalized_locational_cost – normalized total locational cost score for location normalized_gravity_score – normalized market gravity score for location weighted_siting_score – total weighted siting score of locational cost and gravity score geometry – polygon geometry of facility Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. License This data is made available under a CCBY4.0 License Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Mongird, Kendall (ORCID:0000000328077088)↗
DOE OSTI2021

Identifying management opportunities to combat climate, land, and marine threats across less climate exposed coral reefs

Conserving coral reefs is critical for maintaining marine biodiversity, protecting coastlines, and supporting livelihoods in many coastal communities. Climate change threatens coral reefs globally, but researchers have identified a portfolio of coral reefs (bioclimatic units [BCUs]) that are relatively less exposed to climate impacts and strongly connected to other coral reef systems. These reefs provide a proactive opportunity to secure a long-term future for coral reefs under climate change. To help guide local management efforts, we quantified marine cumulative human impact (CHI) from climate, marine, and land pressures (2013 and from 2008 to 2013) in BCUs and across countries tasked with BCU management. Additionally, we created a management index based on common management measures and policies for each pressure source (climate, marine, and land) to identify a country's intent and commitment to effectively manage these pressures. Twenty-two countries (79%) had increases in CHI from 2008 to 2013. Climate change pressures had the highest proportional contribution to CHI across all reefs and in all but one country (Singapore), but 18 BCUs (35%) and nine countries containing BCUs (32%) had relatively high land and marine impacts. There was a significant positive relationship between climate impact and the climate management index across countries (R 2 = 0.43, p = 0.02), potentially signifying that countries with greater climate impacts are more committed to managing them. However, this trend was driven by climate management intent in Fiji and Bangladesh. Our results can be used to guide future fine-scale analyses, national policies, and local management decisions, and our management indices reveal areas where management components can be improved. Cost-effectively managing local pressures (e.g., fishing and nutrients) in BCUs is essential for building a climate-ready future that benefits coral reefs and people.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Visible to near-infrared spectral reflectance along the NGEE-Arctic tram transect, Utqiagvik (Barrow), Alaska, 2015-2018

Canopy spectral reflectance collected measured in 2015-2018 along the NGEE-Arctic tram located on the Barrow Environmental Observatory (BEO), Barrow, Alaska. Measurements were made using a PP-Systems UniSpec-DC spectrometer mounted on an automatically operated instrument cart. Spectra were collected at 137 stop points at 0.5 m intervals along the tram transect. Transect runs were collected daily, or multiple times per day, from April or May through to August or September each year. Downwelling radiance was measured using a 2 meter fiber optic cable connected to a cosine diffuser. Upwelling (i.e. reflected) radiance was measured using a 2 meter cable connected to a 12 degree field-of-view (FOV) lens. Canopy reflectance was calculated using the ratio of upwelling to downwelling radiance measured over a 99.99% reflectance Spectralon standard measured at the start of each measurement set. Unprocessed spectral data are presented in .spu files. Metadata are provided in csv files, and the instrument manual (pdf). The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

A density-functional theory study of the Al/AlOx/Al tunnel junction

The aluminum oxide tunnel junction is a key component of the majority of superconducting quantum devices. For high-quality, reproducible, and scalably manufacturable qubits, the ability to fabricate Josephson junctions (JJs) with a targeted critical current and high uniformity is essential. In this study, we use first-principles modeling to assess fundamental aspects of the atomic structure of both amorphous and crystalline aluminum oxide tunnel junctions and relate the structure to predicted performance metrics. We use modified ab initio molecular dynamics to develop realistic models of the tunnel junction, from which interface roughness and local thickness fluctuations are analyzed in an unbiased manner by training a neural network to identify the boundary between metal and oxide. We show that the effective thickness of the insulating part of the junction can be different from the apparent physical thickness. We calculate the rate of Cooper pair tunneling for the atomically resolved electrostatic potential using direct numerical solution in 3D, which shows a channeling effect that impacts the junction critical current. The predicted critical current is a useful JJ design parameter that can be accessed from the ab initio calculations without fitting parameters. To assess the limits of uniformity and fabrication choices (e.g., oxidation vs epitaxy), we compare the amorphous junctions to crystalline models, which show order of magnitude more efficient tunneling compared to the amorphous case, underlining the connection between atomistic structure and Cooper pair tunneling efficiency. Further, this work provides a foundation for ab initio materials design and evaluation to help accelerate future development of improved tunnel junctions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Front-End Engineering Design for Piperazine with the Advanced Stripper

This Department of Energy (DOE) funded project was executed with the goal of preparing a Front-End Engineering Design (FEED) for the capture and compression of 90% of the CO2 that would normally be emitted from an existing natural gas combined cycle (NGCC) plant. The FEED focused on the application of the piperazine advanced stripper (PZAS) process at Mustang Station of the Golden Spread Electric Cooperative (GSEC), which consists of two gas turbines with common heat recovery steam generator (HRSG). The University of Texas at Austin (UT) served as the prime contractor, and subcontracted AECOM Technical Services and Trimeric Corporation to support FEED development. This project team has worked together to advance PZAS for more than a decade. ExxonMobil, Chevron, and Total provided project co-funding. The objectives of this work included: 1. To advance engineering design such that a comprehensive estimate for the total installed cost of a full-scale PZAS CO2 Capture Plant with CO2 compression can be developed on an existing NGCC power plant. a. These detailed costs can also be used to qualify PZAS and other related second generation (2G) amine scrubbing processes for use on cogeneration facilities in refineries and chemical plants that use gas turbines with HRSGs to produce steam. b. These detailed costs will help qualify 2G amine scrubbing for use on NGCC power plants and establish a more accurate baseline cost to be used as a target by other capture technologies. 2. To provide cost details to be used in the economic optimization of the process features of PZAS and other 2G amine scrubbing processes. 3. To provide DOE with a more detailed understanding of carbon capture costs in a commercial application, enabling DOE to better design its R&D program to improve the economics for carbon capture. 4. To provide the host site and cost share partners with the information necessary to determine whether a commercial project to capture and use CO2 for enhanced oil recovery (EOR) or for sequestration can be justified (when accounting for the 45Q tax credit). A key component of the FEED is the estimated total installed cost, which provides a basis for the likely capital investment necessary to implement the PZAS carbon capture process at this location and scale. In combination with the included economic analysis, which accounts for potential revenue from the produced CO2, potential avenues to profitability are explored. The major findings of the FEED are as follows: The Mustang Station PZAS CO2 Capture Plant estimated total project cost of $698 MM of which $384 MM was direct costs. The annual operating costs were $32.6 MM. The total investment for a PZAS facility at Mustang Station is $725 MM. This estimate includes owner’s cost of $25 million and a contingency of $110 MM. • The study estimated the CO2 capture plant at Mustang Station would generate CO2 at $110/tonne for EOR, assuming a 12% IRR (internal rate of return) and an 85% capacity factor. For CO2 storage, the same case would achieve a 12% IRR at about $114/tonne. At a capacity factor of 52%, the storage and EOR cases would break even when carbon is priced ~$150/tonne. The economic analysis determined that the capacity factor and utility pricing, among other variable factors, had a significant effect on the economics and will need additional studied. • The energy penalty of the PZAS plant would be about 46 MW in connected power and 35 MW in operating load. The natural gas requirement (for the Gas Boiler package) would be about 354 MMBTU/hr. • The FEED revealed no major risks in process maturity. However, some areas were outlined for further engineering during detailed design, which included the Gas Boiler system, general arrangement and site layout, air coolers, schedule development, and optimization of the process for higher CO2 removal. • If PZAS were to be implemented at another host site, additional opportunities for cost reduction for would include cost reduction through use of cooling water and steam extraction.

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