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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 289 records · Page 16

The Integration and Mapping of an Open-Source National Well Resource to Inform Geologic Carbon Storage Site Selection and Risk Prevention: The CO2-Locate Database

Geologic carbon storage (GCS) offers a way to capture and permanently store CO₂ from fossil fuel operations in underground geologic structures, aiding in the transition to a carbon-neutral energy economy. However, CO₂ injection sites can experience gas leakage through existing wells that penetrate storage reservoirs, making knowledge of well locations and characteristics crucial for permitting, infrastructure reusability, and risk assessment in GCS. Currently, public wellbore data from state, federal, and tribal entities are inconsistent and fragmented, with gaps and redundancies. To address this, the National Energy Technology Laboratory (NETL) developed CO2-Locate, an open-source, geospatial database and online application. CO2-Locate integrates over 50 data sources from federal, state, and tribal entities, creating a standardized national well database. Funded by the Bipartisan Infrastructure Law, the database is publicly available through the Energy Data eXchange (EDX) and viewable via the CO2-Locate web mapping application. This tool allows users to query, filter, and visualize well data to support GCS planning, permitting, and risk assessments. This presentation covers the methods used to create CO2-Locate, including data acquisition, processing, attribute mapping, and integration, much of which is automated for future updates. The web mapping application and its role in GCS site selection will also be discussed.

Tetteh, Daniel A.↗

Southeast Regional CO 2 Utilization and Storage Acceleration Partnership (SECARB-USA): Needs Assessment Framework for Storage Complexes Contributed to EDX (Work Product 2.1.c)

On September 30, 2021, a Needs Assessment Framework for Storage Complexes was completed for the SECARB-USA region by the Southern States Energy Board (SSEB) and The University of Texas at Austin Bureau of Economic Geology (UT-BEG). The Needs Assessment Framework for Storage Complexes documented a region-wide assessment to identify data needed to advance storage projects at sites of relevance to industrial, academic, and government stakeholders. The region-wide assessment addresses the needs of CO2 source, storage, and utilization stakeholders, finance and insurance institutions, state and local government agencies, local stakeholders at prospective storage complexes, environmental non-governmental organizations (NGOs), and others as identified by the Partners. This assessment was tested against various potential storage sites and modified to include site-specific issues, such as surface or pore space rights. The framework was provided to stakeholders for review and then used in other tasks, such as the ML initiative (Subtask 3.4) and storage complex readiness evaluation (Subtask 4.2). In accordance with the SOPO, this assessment satisfied completion of Work Product 2.1.b. The OSTI ID is 3015803, and the DOI link is https://doi.org/10.2172/3015803. On February 28, 2022, SSEB uploaded Work Product 2.1.b to NETL’s Energy Data eXchange (EDX). As such, Work Product 2.1.c is completed as documented below.

42 ENGINEERING↗

Truly conserving with conservative remapping methods

Abstract. Conservative mapping of data from one horizontal grid to another should preserve certain integral or mean properties of the original data. This may be essential in some model applications, including ensuring realistic exchange of energy and mass between coupled model components. It can also be essential for certain types of analysis, such as evaluating how far a system is from an equilibrium state. For some common grids, existing remapping algorithms may fail to perfectly represent the shapes and sizes of grid cells, which leads to errors in the remapped fields. A procedure is presented here that enables users to rely on the mapping weights generated by remapping algorithms but corrects for their deficiencies. With this procedure, for a given pair of source and destination grids, a single set of remapping weights can be applied to remap any variable, including those with grid cells that are partially or fully masked.

58 GEOSCIENCES↗

Snow ALbedo eVOlution (SALVO) Campaign Qualitative Characterization of Snowpack Stratigraphy from April - June, 2024 in Utqiagivk, AK

The physical structure of the snowpack is impacted by and impacts the exchange of energy with the atmosphere. Qualitative characterization of snowpack stratigraphy in snow pits provides context for what physical processes are changing the snow (e.g., melt, wind-packing, hoar formation). 36 snowpits were dug as part of the 2024 Snow Albedo Evolution (SALVO) field campaign. Snow grain stratigraphy was recorded using standard International Association of Cryospheric Sciences (IACS) snow grain classification ( https://cryosphericsciences.org/publications/snow-classification/) and hand hardness tests (in order of least hard to hardest: F (fist), 4F (four fingers), 1F (one finger), P (pencil), K (knife), I (ice)). These snowpits were generally co-located with library site albedo measurements and are given the same index (Date, Site, Location, Position) when appropriate (see broadband and spectral albedo data archived from the SALVO II project).

Depth to bottom of snow layer↗

Assessing Current and Future Infrastructure Hazards

Project Objective Execute intelligent analytics via an advanced analytical framework, to assess the current state of offshore infrastructure, evaluate infrastructure life, and identify technologies to reduce infrastructure hazards, costs, and extend infrastructure life. Approach &amp; Results thus Far• Build comprehensive dataset• Perform data-driven analytics to evaluate infrastructure integrity<p> 1. Remaining lifespan</p><p> 2. Likelihood of future risk</p><p>• Apply data-driven advanced spatial, statistical, and Machine Learning (ML) models to quantify existing infrastructure integrity</p><p>• Release data and models through a smart, online platform hosted by Energy Data eXchange (EDX)</p>

Romeo, Lucy F.↗

EDX Spatial: Leveraging cloud and hybrid data management resources for spatial data

In the last few years, the National Energy Technology Laboratory has started leveraging cloud-hosted services for hosting spatial data collections published on the Energy Data eXchange (EDX). Using cloud-hosted storage and compute options offers multiple benefits for visualization and tool development through utilization of spatial data resources. The transition from on-premises services to cloud-hosted services has enabled a few key features: increased accessibility of large derivative datasets, dynamic integration of external authoritative data resources directly from outside entities through representational state transfer application programming interfaces (REST API), and the ability to produce complex mapping applications, dashboards, and online maps. As a result of the shift, NETL has launched EDX Spatial, a platform that leverages on-premises resources combined with cloud compute capabilities to enable enhanced online mapping interfaces and optimize data access. In addition, a unified workflow for handling the public release of spatial data products through EDX has been developed, including standardization of data hosting practices, metadata, symbology, and application elements. This poster reviews the opportunity of leveraging cloud-hosted and hybrid data management solutions for spatial data, and discusses the benefits and lessons learned while leveraging these services through the data repository EDX.

Morkner, Paige↗

Thermally Anisotropic Building Envelope Integration into Panelized Metal Construction: Laboratory Evaluation in Guarded Hot Box

The Thermally Anisotropic Building Envelope (TABE) is an active building envelope system that can exchange thermal energy with a storage medium to reduce the building’s energy demand. TABE redirects thermal energy along thin conductive layers in the building envelope to hydronic loops that are connected to thermal energy storage (TES), where it will be available to offset future energy demand when the conditions are favorable. TABEs can also be connected with a geothermal loop to reduce the building’s heating and cooling loads. Due to the importance of thermally conductive metal layers to TABE function, this technology has potential for easy adoption into panelized metal construction. In this study, we illustrate the construction process of prototype metal panels containing TABE and the laboratory evaluation in Oak Ridge National Laboratory’s rotatable guarded hot box. The thermal performance of the prototype panel was assessed for both baseline and operational cases and the total heat flow extracted from the panel by TABE was quantified.

Howard, Daniel↗

Development & Experimental Validation of a Generalized Resistance-Capacitance Model for Numerical Simulation of Phase-Change Material Embedded Heat Exchangers

Latent heat thermal energy storage (LHTES) using phase change material (PCM) has attracted increased attention as a viable solution for overcoming the mismatch between energy supply and demand for renewable energy-based systems. PCM-embedded heat exchangers (PCM-HX) have the potential to significantly improve thermal performance due to high storage capacity and low temperature variation during the phase change process. Most models for simulating LHTES heat transfer use Computational Fluid Dynamics (CFD) simulations, which have high computational costs resulting from considering the complex and time-dependent physics relevant to PCM-HXs. In this paper, a Generalized Resistance Capacitance-based Model (GRCM) was developed to predict the thermal performance of arbitrary PCM-HXs in a computationally efficient manner without compromising modeling accuracy. The GRCM is exercised for three case studies: (i) verification for a single-slabbed finned PCM-HX, (ii) verification and validation for a copper foam/paraffin composite PCM-HX, and (iii) validation for a straight tube annular finned PCM-HX. The copper foam PCM-HX uses an electric heater at the top of HX, while the other two configurations utilize water as heat transfer fluid. For the single-slabbed finned PCM-HX melting case, the mean deviation in average PCM temperature predicted by the GRCM compared to the CFD model was between 0.56 – 0.73 K, with maximum temperature deviation of 2.68 K. For the HTF outlet temperature, the validation results showed that GRCM prediction matches very well with experimental data, with mean temperature deviation of 0.24 K during melting case, while for solidification case was 0.34 K. These results showcase the GRCM’s capability for accurately reproducing the thermal characteristics of PCM-HXs with considerably lower computational effort.

42 ENGINEERING↗

Accurate parameterization of the kinetic energy functional for calculations using exact-exchange

In this report, electronic structure calculations based on Kohn-Sham density functional theory (KSDFT) that incorporate exact exchange or hybrid functionals are associated with large computational expense, a consequence of the inherent cubic scaling bottleneck and large associated prefactor, which limits the length and time scales that can be accessed. Though orbital-free density functional theory (OFDFT) calculations scale linearly with system size and are associated with significantly smaller prefactor, they are limited by the absence of accurate density-dependent kinetic energy functionals. Therefore, the development of accurate density-dependent kinetic energy functionals is important for OFDFT calculations of large realistic systems. To this end, we propose a method to train kinetic energy functional models at the exact-exchange level of theory by using a dictionary of physically relevant terms that have been proposed in the literature in conjunction with linear or nonlinear regression methods to obtain the fitting coefficients. For our dictionary, we use gradient expansion of the kinetic energy, nonlocal models proposed in the literature and their nonlinear combinations, such as a model that incorporates spatial correlations between higher order derivatives of electron density at two points. The predictive capabilities of these models are assessed by using a variety of model one-dimensional systems that exhibit diverse bonding characteristics, such as a chain of eight hydrogens, LiF, LiH, C 4 H 2 , C 4 N 2 and C 3 O 2 . We show that by using data from model one-dimensional KSDFT calculations performed using the exact-exchange functional for only a few neutral structures, it is possible to generate models with high accuracy for charged systems as well as electron and kinetic energy densities during self-consistent field iterations. In addition, we show that it possible to learn both the orbital dependent terms, i.e., the kinetic energy and the exact-exchange energy, and models that incorporate additional nonlinearities in spatial correlations, such as a quadratic model, are needed to capture subtle features of the kinetic energy density that are present in exact-exchange-based KSDFT calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Thermal energy storage in concrete utilizing a thermosiphon heat exchanger

The performance of a lab-scale concrete thermal energy storage (TES) module with a 2-kWh thermal capacity is evaluated at temperatures up to 400 °C. The TES module uses conventional normal weight concrete with thermal and mechanical properties that are tailored for use as a solid thermal energy storage media. A thermosiphon heat exchanger is used to provide rapid heat transfer into the concrete module, which is reinforced with a steel pipe outer shell. The charging and discharging cycles are examined to assess the thermal performance of the concrete and thermosiphon. Based on the results of testing, the thermosiphon is able to repeatably charge the concrete module from 300 to 400 °C over a 4-h period. After 2250 total hours of charge and discharge cycles, there was no observed delamination between the concrete and the thermosiphon or the steel jacket reinforcement. Non-destructive measurements of the concrete indicated no significant degradation of the solid storage media. The experimental results are then used to validate a numerical model of the concrete TES module for parametric study. Finally, varying insulation conditions were analyzed using this model to determine practical configurations for regular operation of the proposed concrete TES module.

25 ENERGY STORAGE↗

Cell to Ecosystem: Understanding Methane and Associated Nutrient Cycling by Sediment Hosted Syntrophic Consortia and Their Viral Predators

The anaerobic oxidation of methane (AOM) is a significant worldwide microbial process in anoxic lake and ocean sediments, responsible for sequestering up to 80% of this greenhouse gas. Often considered a metabolism on the edge of thermodynamic probability, the impact of ANaerobic MEthane-oxidizing ‘ANME’ archaea on carbon and nutrient cycling in sediment ecosystems is far reaching. They not only serve as a sink for methane coupled to diverse electron acceptors, but also catalyze the transformation of many important nutrients including nitrogen, phosphate, and iron. While information about the potential mechanisms supporting metabolism in AOM is now available, remarkably little has been learned about their nutritional requirements, their dependencies on bacterial partners, and consequentially their ultimate impact on nutrient transformation and bioavailability within sedimentary ecosystems, and beyond. Further, the role of viruses within sediment ecosystems represents an essential but vastly understudied aspect of the transformation of carbon and nutrients by AOM. Viruses are now widely appreciated as central players in biogeochemical cycles across diverse ecosystems. These nanoscale predators have been shown to enhance the turnover of essential nutrients, thus stimulating microbial growth and environmental viruses themselves may constitute an important reservoir of nitrogen and phosphorous. Little is known about the role of viruses in methane-impacted sedimentary ecosystems, however prior genomic and microscopy evidence suggests that AOM consortia are susceptible to phage infection. The overarching scientific goal of this multi-disciplinary research proposal is to build on these recent discoveries and expand our understanding of interactions and fundamental activities involved in cycling of carbon and nutrients by syntrophic methanotrophic archaeal-bacterial consortia and associated viruses in anoxic sedimentary environments. Our three specific objectives are to 1) Quantify energy and nutrient exchange (e.g. N, P, Fe and vitamins) within AOM consortia and between ANME-bacterial partners; 2) Identify virus-host interactions associated with AOM and assess C and N transfer through viruses in methane-impacted sediment ecosystems; 3) Model energy and nutrient exchange in AOM consortia and viral-host interactions (i.e. viral activity), and their environmental distribution patterns. Our experimental emphasis cuts across scales that are important for understanding microbial and viral interactions and activities within their habitats, as well as community wide biogeochemical transformations. These research goals will be accomplished through the application of novel molecular techniques targeting DNA, RNA, proteins, and metabolites combined with a unique multi-modal analytical imaging pipeline. We will then model the ecophysiological capabilities of diverse sediment-hosted methanotrophic consortia to develop a more comprehensive understanding of the energetic and nutritional interactions between different AOM partner couplings that occur in sediments.

03 NATURAL GAS↗

Universal Utility Data Exchange (UUDEX) – Security and Administration: Cybersecurity of Energy Delivery Systems (CEDS) Research and Development

A critical component of the Universal Utility Data Exchange (UUDEX) approach is the integrated security contained within its processing. This document describes how that security is designed and expected to be implemented by UUDEX Implementations (U-Implementations), including the UUDEX Server (U-Server) and UUDEX Clients (U-Clients). The UUDEX security hierarchy consists of three levels: 1. The UUDEX Instance (U-Instance) itself, which sits at the top of the hierarchy and contains the U-Server, the UUDEX Identity Authority (U-Identity Authority), and the UUDEX Administrator (U-Administrator) functions; 2. A group of one or more UUDEX Participants (U-Participants) that present “organizations” that participate in the U-Instance and contains the UUDEX Administrator Participant (U-U-Administrator Participant) function; 3. A group of one or more UUDEX Endpoints (U-Endpoints) that represent the individual UUDEX Publish Clients (U-Publish Client) responsible for supplying data to the U-Instance that is consumed by UUDEX Subscriber Clients (U-Subscriber Clients). U-Endpoints can be either autonomous devices that publish and subscribe data such as data exchange servers found in supervisory control and data acquisition and energy management systems, or they can be tied to users of applications that, for example, submit DOE OE-417 disturbance reports. U-Participants and U-Endpoints can be organized into UUDEX Groups (U-Groups). Any number of U-Participants or U-Endpoints can be members of a U-Group. A given U-Participant or U-Endpoint can be a member of multiple U-Groups, but a U-Group cannot contain other U-Groups. For example, a U-Group could be created to contain all U-Participant Transmission Operators within the purview of a Reliability Coordinator, and another U-Group could be created to contain all U-Participant Generator Operators within the purview of a Reliability Coordinator. U-Participants that are both Transmission Operators and Generator Operators would be members of both U-Groups. U-Participants, U-Endpoints, and U-Groups are used in the access control structures to provide access to individual UUDEX Subjects (U-Subjects). U-Groups are created by the U-Administrator and are managed by the U-Administrator or the designated U-Group Managers. U-Endpoints can be assigned UUDEX Roles (U-Roles) that can be used to further restrict access. U-Roles are assigned to individual U-Endpoints. For example, a U-Role of “Security Analyst” could be used to restrict which U-Endpoints can publish or subscribe security incident reports and vulnerability notifications, while a U-Role of “Transmission Planner” can be used to restrict which U-Endpoints can publish power system model updates. U-Role definitions are created by the U-Administrator, but the U-Roles are assigned to U-Endpoints by their respective UUDEX Participant Administrators (U-Participant Administrator). Because all information required to make security decisions is either included within the U-Endpoint’s X.509 digital certificate or stored in a datastore on the U-Server, all security decisions are performed and enforced within the U-Server. This reduces the complexity of the U-Client code and minimizes the chance for compromise of the integrity of the UUDEX security features.

97 MATHEMATICS AND COMPUTING↗

Computed Tomography Scanning and Geophysical Measurements of the Smackover Formation from the Roberson 18-19 Core

The computed tomography (CT) facilities and the Multi-Sensor Core Logger (MSCL) at the U.S. Department of Energy’s (DOE) National Energy Technology Laboratory (NETL) site in Morgantown, West Virginia, were used to characterize the Upper Jurassic (Oxfordian) Smackover limestone in the Roberson 18-19 1-15H core retrieved from the Atlanta Field, Columbia County, Arkansas. The 365.68-ft long Roberson core came from a vertical well at depths 8,802 ft to 9,169.60 ft, drilled by Southwestern Energy targeting the Smackover Formation as a potential unconventional oil reservoir. The primary impetus of this work was to non-destructively characterize core from the Smackover Formation that was acquired through a core exchange with Southwestern Energy. The Smackover Formation is an unconventional limestone play in southern Arkansas. This report and the associated scans provide detailed datasets not typically made publicly available from unconventional limestone for analysis. The resultant datasets are presented in this report and can be accessed from NETL’s Energy Data eXchange (EDX) online system using the following link: https://edx.netl.doe.gov/dataset/roberson-smackover.

58 GEOSCIENCES↗

Experimental Investigation of the Heat Transfer between Finned Tubes and a Bubbling Fluidized Bed with Horizontal Sand Mass Flow

The sandTES technology utilizes a fluidized bed counter current heat exchanger for thermal energy storage applications. Its main feature is an imposed horizontal flow of sand (SiO2) particles fluidized by a vertical air flow across a heat exchanger consisting of several horizontal rows of tubes. Past international research on heat transfer in dense fluidized beds has focused on stationary (stirred tank) systems, and there is little to no information available on the impact of longitudinal or helical fins. Previous pilot plant scale experiments at TU Wien led to the conclusion that the currently available correlations for predicting the heat transfer coefficient between the tube surface and the surrounding fluidized bed are insufficient for the horizontal sand flow imposed by the sandTES technology. Therefore, several smaller test rigs were designed in this study to investigate the influence of different tube arrangements and flow conditions on the external convective heat transfer coefficient and possible improvements by using finned tubes. It could be shown that helically finned tubes in a transversal arrangement, where the horizontal sand flow is perpendicular to the tube axes, allows an increase in the heat transfer coefficient per tube length (i.e., the virtual heat transfer coefficient) by a factor of 3.5 to about 1250 W/m2K at ambient temperature. Based on the literature, this heat transfer coefficient is expected to increase at higher temperatures. The new design criteria allow the design of compact, low-cost heat exchangers for thermal energy storage applications, in particular electro-thermal energy storage.

25 ENERGY STORAGE↗

Accurate energies for ππ* excited states via exchange scaling: the XS-CASSCF method

The state-averaged complete-active space self-consistent field method (SA-CASSCF) is a widely employed electronic structure method used for studying photochemistry and dynamics owing to its ability to provide a reliable description even of complicated cases while still retaining computational efficiency. However, SA-CASSCF suffers from one Achilles heel, related to the description of ionic ππ* excited states, whose energy is often overestimated by 1–2 eV. In light of this challenge, we present the XS-CASSCF method, a new approach based on the idea of exchange scaling (XS) that screens the involved energy terms to improve the excitation energies of singlet ionic ππ* states. First, we illustrate the power of the XS-CASSCF method using hexatriene and para-quinodimethane as examples, showing that it corrects the targeted ionic states while leaving the other states largely unaffected, giving root-mean-square errors (RMSE) below 0.2 eV for the four lowest states in both cases. Subsequently, XS-CASSCF vertical excitation energies are tested against theoretical best estimates for a set of 11 molecules and 56 excited states. XS-CASSCF performs exceptionally well for the ππ* states of hydrocarbons, reducing the RMSE over 21 excitation energies from 0.96 to 0.27 eV. In the challenging subset of molecules with heteroatoms and a larger number of ππ* and nπ* states, we find that improvements can also be obtained, albeit not as pronounced. We conclude with an outlook into more realistic molecular materials focusing on their singlet–triplet (S 1 /T 1 ) gaps, finding that significant improvements can be obtained along the whole range of S 1 /T 1 gaps studied, going from 0.1 eV to more than 1.5 eV. Owing to notable improvements across significant classes of molecules combined with its conceptual simplicity, we believe that XS-CASSCF is a promising addition to the electronic structure toolbox, serving both as a standalone electronic structure method and as a starting point for further correlated treatment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Aryl ether-free polymer electrolytes for electrochemical and energy devices

Anion exchange polymers (AEPs) play a crucial role in green hydrogen production through anion exchange membrane water electrolysis. The chemical stability of AEPs is paramount for stable system operation in electrolysers and other electrochemical devices. Given the instability of aryl ethercontaining AEPs under high pH conditions, recent research has focused on quaternized aryl ether-free variants. The primary goal of this review is to provide a greater depth of knowledge on the synthesis of aryl ether-free AEPs targeted for electrochemical devices. Synthetic pathways that yield polyaromatic AEPs include acid-catalysed polyhydroxyalkylation, metal-promoted coupling reactions, ionene synthesis via nucleophilic substitution, alkylation of polybenzimidazole, and Diels–Alder polymerization. Polyolefinic AEPs are prepared through addition polymerization, ring-opening metathesis, radiation grafting reactions, and anionic polymerization. Discussions cover structure–property–performance relationships of AEPs in fuel cells, redox flow batteries, and water and CO 2 electrolysers, along with the current status of scale-up synthesis and commercialization.

25 ENERGY STORAGE↗

Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties

CNDOL is an a priori, approximate Fockian for molecular wave functions. In this study, we employ several modes of singly excited configuration interaction (CIS) to model molecular excitation properties by using four combinations of the one electron operator terms. Those options are compared to the experimental and theoretical data for a carefully selected set of molecules. The resulting excitons are represented by CIS wave functions that encompass all valence electrons in the system for each excited state energy. The Coulomb–exchange term associated to the calculated excitation energies is rationalized to evaluate theoretical exciton binding energies. This property is shown to be useful for discriminating the charge donation ability of molecular and supermolecular systems. Multielectronic 3D maps of exciton formal charges are showcased, demonstrating the applicability of these approximate wave functions for modeling properties of large molecules and clusters at nanoscales. This modeling proves useful in designing molecular photovoltaic devices. Our methodology holds potential applications in systematic evaluations of such systems and the development of fundamental artificial intelligence databases for predicting related properties.

Chemistry↗

Revisiting gauge invariance and Reggeization of pion exchange

The Reggeized pion is expected to provide the main contribution to the forward cross section in light meson photoproduction reactions with charge exchange at high energies. We discuss the Reggeization of pion exchange in charged pion photoproduction with an emphasis on consistency with current conservation. We show that the gauge-invariant amplitude for the exchange of a particle with a generic even spin J ≥ 2 in the t channel is analytic at J = 0 and that it can be interpreted in terms of the nucleon electric current. This enables us to reconcile the dynamics in the s and u channel, which involves also nucleon exchanges, with the amplitude expressed in terms of t -channel partial waves, as required by Regge theory. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗