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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Progress Towards Developing Neutron Tolerant Magnetostrictive and Piezoelectric Transducers

Current generation light water reactors (LWRs), sodium cooled fast reactors (SFRs), small modular reactors (SMRs), and next generation nuclear plants (NGNPs) produce harsh environments in and near the reactor core that can severely tax material performance and limit component operational life. To address this issue, several Department of Energy Office of Nuclear Energy (DOE-NE) research programs are evaluating the long duration irradiation performance of fuel and structural materials used in existing and new reactors. In order to maximize the amount of information obtained from Material Testing Reactor (MTR) irradiations, DOE is also funding development of enhanced instrumentation that will be able to obtain in-situ, real-time data on key material characteristics and properties, with unprecedented accuracy and resolution. Such data are required to validate new multi-scale, multi-physics modeling tools under development as part of a science-based, engineering driven approach to reactor development. It is not feasible to obtain high resolution/microscale data with the current state of instrumentation technology. However, ultrasound-based sensors offer the ability to obtain such data if it is demonstrated that these sensors and their associated transducers are resistant to high neutron flux, high gamma radiation, and high temperature. To address this need, the Advanced Test Reactor National Scientific User Facility (ATR-NSUF) is funding an irradiation, led by PSU, at the Massachusetts Institute of Technology Research Reactor to test the survivability of ultrasound transducers. As part of this effort, PSU and collaborators have designed, fabricated, and provided piezoelectric and magnetostrictive transducers that are optimized to perform in harsh, high flux, environments. Four piezoelectric transducers were fabricated with either aluminum nitride, zinc oxide, or bismuth titanate as the active element that were coupled to either Kovar or aluminum waveguides and two magnetostrictive transducers were fabricated with Remendur or Galfenol as the active elements. Pulse-echo ultrasonic measurements of these transducers are made in-situ. This paper will present an overview of the test design including selection criteria for candidate materials and optimization of test assembly parameters, data obtained from both out-of-pile and in-pile testing at elevated temperatures, and an assessment based on initial data of the expected performance of ultrasonic devices in irradiation conditions

Reinhardt1, Brian↗
DOE OSTI2025

Molten Salt Corrosion Tests of Additively Manufactured Stainless Steel 316H

Molten salt reactors (MSRs) have drawn considerable interest due to their favorable safety features, high thermal efficiency, and compatibility with different fuel cycles. Yet, the success of MSRs hinges critically on the performance of structural materials to be used in these aggressive molten salt environments, where corrosion and material compatibility remain primary challenges to long-term reliability. Additively manufactured (AM) nuclear structural materials prompt the use of novel geometries and compositions to enhance material performance and reduce costs of constructing MSRs. The rapid solidification conditions inherent to AM processing impart distinctive microstructural features, including cellular sub-structures, dislocation densities, residual stress, and oxide inclusions, which can influence material performance in MSR components. While the mechanical properties of AM stainless steels have been widely studied, their corrosion behavior, particularly in molten salt environments, has received far less attention. Addressing these needs, the Advanced Materials and Manufacturing Technologies (AMMT) program provides a framework for systematically evaluating how unique microstructures produced by AM processes influence the performance of these materials in these demanding environments and for developing reproducible testing workflows that can support future code qualification efforts and standards development. Bridging this knowledge gap is essential for assessing the viability of AM alloys in MSRs and informing qualification strategies. A further challenge is the absence of standardized protocols for molten salt corrosion testing. Accordingly, this report provides an account of the corrosion evaluation of AM 316H stainless steel in NaCl 2 -MgCl 2 molten salt at 550 °C, with exposure times of 100 and 500 hours. It documents the experimental procedures implemented under the AMMT program, including salt preparation, exposure protocols, and post-test characterization methods, to establish reproducibility and transparency. Importantly, the study examines AM 316H samples in the as-fabricated condition, directly reflecting the surface state most relevant to engineering applications, and compares their behavior to machine-cut surfaces. Overall, preliminary evaluations have noted that surface conditions (e.g. morphology, contamination, etc.) have a noticeable impact on the corrosion resiliency. The impact of the corrosion is difficult to detect at 100h, unless, in the case of AM 316H, the specimen surface is decontaminated. After 500 h, as-fabricated surfaces of AM and wrought 316H display evidence of general versus preferential corrosion attack, respectively. Both AM and wrought 316H machine-cut surfaces exhibit a continuous Cr depletion zone, evident of general corrosion. While the estimated extent of corrosion appears within the same order of magnitude regardless of the surface condition, it is apparent that more predictable behavior is observed on machine-cut surfaces. Nonetheless, further investigation is necessary to fully elucidate the corrosion mechanism under these conditions.

36 - MATERIALS SCIENCE↗
DOE OSTI2024

Representing Carbon Dioxide Transport and Storage Network Investments within Power System Planning Models

Carbon dioxide (CO 2 ) capture and storage (CCS) is frequently identified as a potential component to achieving a decarbonized power system at least cost; however, power system models frequently lack detailed representation of CO 2 transportation, injection, and storage (CTS) infrastructure. In this paper, we present a novel approach to explicitly represent CO 2 storage potential and CTS infrastructure costs and constraints within a continental-scale power system capacity expansion model. In addition, we evaluate the sensitivity of the results to assumptions about the future costs and performance of CTS components and carbon capture technologies. We find that the quantity of CO 2 captured within the power sector is relatively insensitive to the range of CTS costs explored, suggesting that the cost of CO 2 capture retrofits is a more important driver of CCS implementation than the costs of transportation and storage. Finally, we demonstrate that storage and injection costs account for the predominant share of total costs associated with CTS investment and operation, suggesting that pipeline infrastructure costs have limited influence on the competitiveness of CCS.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Multiscale Characterization of Additive Manufacturing Components with Computed Tomography, 3D X-ray Microscopy, and Deep Learning

Additive manufacturing (AM) facilitates the creation of complex-geometry parts, driving advancements in lightweight aerospace components, high-efficiency engine cooling channels, and customized medical implants. However, ensuring the quality and reliability of AM parts remains challenging due to internal defects, surface irregularities, porosity, and residual trapped powder, which are often inaccessible to traditional inspection methods. Recent developments in X-ray computed tomography (XCT) and 3D X-ray microscopy (XRM), particularly systems equipped with resolution-at-a-distance (RaaD™) capabilities, enable high-resolution, non-destructive evaluation of AM components across multiple scales, from sub-micrometer to macroscopic levels. This paper explores modern XCT and XRM techniques for multiscale characterization of AM parts, focusing on their ability to detect and analyze defects such as porosity, cracks, inclusions, and surface roughness, while offering insights into defect formation mechanisms, material properties, and process-induced variations. The integration of deep learning (DL) frameworks, including Simurgh, DeepRecon, and DeepScout, enhances XCT/XRM workflows by reducing scan times, improving resolution recovery, and enabling accurate defect detection even with limited projection data. These DL-based methods overcome limitations of traditional reconstruction techniques, enabling faster, more reliable characterization of dense materials like Inconel 718 and novel alloys such as AlCe. Applications include process parameter optimization, high-throughput quality control, and multistage AM process evaluation, with DL-enhanced workflows accelerating analysis times from weeks to days. Correlative imaging approaches further validate XCT and XRM data against scanning electron microscopy (SEM) images of physically sectioned samples, confirming the accuracy of DL-based reconstructions and enabling comprehensive defect analysis. While challenges remain in generalizing DL models to diverse materials and imaging conditions, improvements in resolution, noise reduction, and defect detection highlight the transformative potential of these methods. This multiscale and correlative approach enables precise identification and correlation of microstructural features with the overall performance of AM components. By integrating advanced XCT, XRM, and DL techniques, this paper demonstrates a significant leap forward in AM characterization, offering valuable insights into the relationships between processing parameters, microstructure, and part performance, and driving innovations that enhance the quality and reliability of AM products for demanding industrial applications.

Additive manufacturing↗
DOE OSTI2024

Elucidating the corrosion mechanism of commercial Ni-based Superalloys in UCl3 containing-chloride Molten Salt Systems

Molten salt reactors (MSRs) have gained renewed interest, providing several advantages over their predecessors, including the capability to consume spent fuels, enhancing the environmental sustainability of the uranium fuel cycle. For example, molten chloride fast reactors (MCFRs) can reach criticality with molten chloride spent fuel containing high concentrations of impurities, such as actinide products like uranium chloride (UCl3). However, the redox potential of chloride molten salt fuels may change in the presence of these impurities, dictating their corrosivity and in turn the corrosion performance of structural components, such as those constructed from nickel (Ni)-based alloys. The purpose of this investigation is to assess the extent of corrosion of Ni-based alloy, Inconel 617, when exposed to UCl3-LiCl-KCl eutectic salt. Inconel 617 one of only six structural materials that are fully qualified by the American Society for Mechanical Engineers (ASME) Boiler and Pressure Vessel Code for high-temperature nuclear reactor components, making it a technologically mature material to consider for constructing MCFRs. Inconel 617 specimens were submerged in a static LiCl-KCl-UCl3 eutectic salt mixture heated at 700 C for 1000 h under an inert atmosphere. Upon completion, the extent of corrosion was analyzed through a multi-modal characterization approach spanning the engineering to nanoscale, employing computed tomography, focused-ion beam, and transmission electron microscopy techniques. Results from this investigation will enhance our understanding of property-to-performance relationships of candidate structural materials for MSRs with respect to corrosion resistance and interactions between the salt and alloy interface.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Thermal Management Solution for an Integrated Outer-Rotor Motor Drive: Opportunities and Challenges

This work highlights an integrated thermal management solution for the outer-rotor motor (ORM) drive. The integrated ORM drive utilizes water-ethylene glycol coolant for power electronics and stator cooling. Air cooling is used for rotor laminations, magnets and outer-rotor structures, and the rotor shaft. To fully understand the performance of the integrated ORM drive and thermal management coupling effects, a full drive conjugate heat transfer model has been developed to investigate coupled cooling performance of various components of the ORM drive. Various motor rotational speeds, power output scenarios, and cooling options for the integrated ORM drive have been investigated. The model estimates the operating window for the ORM drive while keeping component operating temperatures below prescribed limits. The model also highlights the importance of windage losses at higher rotational speeds for this ORM design, which involves higher rotor surface area per unit width of the rotor. Different designs are also investigated, particularly focusing on rotor cooling with air either naturally induced by rotor spin or forced airflow with the help of a blower, to circumvent challenges imposed by higher windage losses. The work highlights motor rotational speed limitations and the need for potential liquid cooling options for desired rotor performance at higher rotational speeds. Liquid cooling for the rotor may even become more critical for nonuniform rotor-stator gaps, leading to even higher and uneven windage losses across the full circumference of the motor, consequentially, more heating for the rotor.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2026

Virtual Inspection of Advanced Manufacturing via Process-Scale Digital Twins (Abbreviated Report)

Inspection and certification comprise the most significant bottlenecks in advanced manufacturing for NNSA applications, often requiring far more time and resources than the fabrication of the parts themselves. Traditional methods, such as manual review and X-ray computed tomography, are not only slow and costly, but also struggle to provide a clear connection between manufacturing instructions and the final performance of critical components. This gap limits both the agility and assurance needed to support the modernization and safety of the United States nuclear stockpile. In response, our Strategic Initiative established a digital twin framework that integrates realtime process monitoring, automated data analysis, and immersive virtual reality collaboration into a unified inspection pipeline. By leveraging data from sensors, machine instructions, and imaging, we created high-fidelity virtual models of manufactured parts that could be rapidly analyzed and certified. This approach was first demonstrated with Direct Ink Write, and then extended to other manufacturing settings, including conventional (or “subtractive”) manufacturing and to predict the end of life performance of parts per the aging and lifetimes programs. The result is a transformational capability: inspection times have been reduced by a factor of 120,000 without loss of accuracy and while simultaneously improving traceability and confidence in part quality. This framework not only streamlines certification for critical applications, but also positions the national security enterprise to respond more flexibly to emerging challenges, supporting agile manufacturing and digital engineering practices across a broad range of mission-relevant domains.

42 ENGINEERING↗
DOE OSTI2024

Research to Address Technical Barriers to Expanded Markets for Biodiesel and Biodiesel Blends (CRADA Final Report)

NREL and the Clean Fuels Alliance America (CFAA) will work cooperatively to assess the effects of biodiesel blends on the performance of modern diesel engines. This work will include research to understand the impact of biodiesel blends on the operation and durability of particle filters and NO x control sorbents/catalysts, to quantify the effect on emission control systems performance, and to understand effects on engine component durability. This research was performed at NREL Renewable Fuels and Lubricants (REFUEL) laboratory (an engine testing laboratory) as well as at third party labs paid directly by CFAA with NREL as part of the project management team. Also, research to develop appropriate ASTM standards for biodiesel quality and stability was conducted in NREL’s bench scale fuel chemistry laboratory. The cooperative project involved laboratory testing and research at NREL using biodiesel from a variety of sources and in collaboration with a broad range of other stakeholders. In addition, NREL will work with NBB to set up an Industrial Steering Committee to design the scope for the various tasks and to provide technical oversight to these projects. NREL and NBB will cooperatively communicate the study results to as broad an audience as possible. This research benefits the public by expanding markets for a domestically produced low-carbon intensity fuel for use in diesel engines.

09 BIOMASS FUELS↗
DOE OSTI2026

Interface and Thermophysical Properties of R 32 Refrigerant

Driven by the urgent demand for efficient cooling in microelectronics and advanced thermal management systems, difluoromethane (R32/CH 2 F 2 ) has emerged as a promising candidate owing to its favorable thermophysical properties, including high heat transfer efficiency and low viscosity. While bulk properties such as density, viscosity, and thermal conductivity have been widely studied, interfacial properties, including surface tension and interfacial thickness, remain comparatively underexplored, despite their importance in phase-transition dynamics. Here, we perform molecular dynamics (MD) simulations from 180 to 300 K using an optimized transferable force field for fluoropropenes with enhanced electrostatics to assess both bulk and interfacial behavior of R32. Simulations reproduced density within ±2.1%, viscosity within 3.05%, and thermal conductivity within 7.41% of NIST reference data. Heat capacities (C p and C v ) were predicted within 5%. For interfacial properties, surface tension trends were reproduced within 13.58% deviation, and the vapor–liquid coexistence curve closely matched reference data, yielding a critical temperature of 345.7 K (1.6% deviation) and a critical density of 0.397 g/cm 3 (6.4% deviation). Importantly, the vapor–liquid interface exhibited pronounced temperature-dependent broadening across the 180–290 K range. This behavior correlates with increasing molecular kinetic energy, reduction in intermolecular cohesive interactions, and a progressive loss of preferential dipole alignment, which collectively enhance thermal fluctuation amplitudes at elevated temperatures. These validated results provide predictive molecular-level insights, particularly for interfacial properties that remain less characterized. By reducing property prediction errors in key parameters such as critical temperature, this work provides reliable inputs for heat-exchanger and system models. Such correlations can support optimized component sizing, improved performance, and reduced refrigerant charge. Beyond R32, the methodology offers a transferable framework for blended and next-generation low-GWP refrigerants, contributing to sustainable thermal management aligned with the 2027 EU F-Gas regulation and 2030 Kigali Amendment.

Fluids↗
DOE OSTI2026

Pilot Development Progress to Demonstrate Electric Thermal Energy Storage (ETES) Using Low-Cost Particles

The rapid growth of future energy demand increases the need to economically store electrical energy over durations up to several days in long-duration energy storage (LDES) applications. LDES can reduce the grid stress for improving the resilience of the grid. The integration of renewable power and storage has several significant and positive impacts including expanding the renewable energy portion of electricity generation, meeting peak-load demand, and coordinating supply and demand. Several energy storage approaches including mechanical, chemical and electrochemical methods are currently deployed or under development. However, LDES requirements pose unique challenges for scalability, energy capacity, and cost. Thermal energy storage (TES) has the ability to store a large capacity of energy with improved site flexibility compared to incumbent LDES technologies (i.e., pumped hydro) and has attracted significant interest. Our development in TES technology using solid particles as the storage medium has shown feasibility and potential in serving LDES purposes. Particle TES has various advantages over commercialized molten nitrate salt TES and has emerged as a promising storage technology originating from Generation 3 concentrating solar power (CSP) development. Stable, inexpensive silica sand produced in the Midwestern U.S. was identified as a suitable storage medium and has been validated through lab heating and cycling tests. We have successfully developed particle TES for bidirectional electric energy storage to broaden the applications for TES beyond CSP technologies and into standalone electric-thermal energy storage (ETES) systems. Key component designs and performance were verified with prototype testing and model simulations. The ETES system uses high-temperature, low-cost particle thermal energy storage coupled with a unique pressurized fluidized bed heat exchanger that supports a high-efficiency, air-Brayton combined power cycle. At times of low energy demand or high renewable production, an electric particle heater heats large quantities of solid particles to high temperatures in excess of 1100 degrees C. The particles are stored in internally insulated silos. At times of high electricity demand, the hot particles are gravity-fed through the heat exchanger where stored thermal energy is transferred to the power cycle working fluid to drive the gas turbine power generation system, thereby converting the thermal energy back into electricity for the grid. The cold particles leaving the heat exchanger are returned to the storage silos by a well-insulated particle conveyor. This ETES technology using particle TES can be sited anywhere and is predicted to be economic and efficient. Moreover, this ETES technology could be co-located with a retired coal or gas plant to leverage existing power generation and grid infrastructure. Our work has focused on the development of each of the key components (e.g., the electric particle heater, particle storage silos, and the particle-to-gas pressurized fluidized bed heat exchanger) through conceptual designs, prototype testing, and computational modeling. These developments demonstrate technological feasibility and are an important step towards the next phase of development of this promising LDES technology. This presentation will show the progress in developing a pilot demonstration of the ETES system on a commercially relevant scale.

25 ENERGY STORAGE↗
DOE OSTI2025

Uncovering Sequence and Structural Characteristics of Fungal Expansin‐Related Proteins With Potential to Drive Substrate Targeting

Expansins loosen plant cell wall networks through disrupting non-covalent bonds between cellulose microfibrils and matrix polysaccharides. Whereas expansins were first discovered in plants, expansin-related proteins have since been identified in bacteria and fungi. The biological function of microbial expansins remains unclear; however, several studies have shown distinct binding preferences toward different structural polysaccharides. Earlier studies of bacterial expansin-related proteins uncovered sequence and structural features that correlate to substrate binding. Herein, 20 fungal expansin-related sequences were recombinantly produced in Komagataella phaffii, and the purified proteins were compared in terms of substrate binding to cellulosic and chitinous substrates. The impact of pH on the zeta potential of prioritized substrates was also measured, and Principal Component Analysis was performed to uncover correlations between protein characteristics (e.g., pI, hydrophobicity, surface charge distribution) and measured substrate binding preferences. Whereas acidic proteins with a predicted pI less than 5.0 preferentially bound to chitin, basic proteins with pI greater than 8.0 preferentially bound to xylan and xylan-containing fiber. Similar to many cellulases, binding to cellulose was correlated to relatively high aromatic amino acid content in the protein sequence and presence of a carbohydrate binding module (CBM), which in the case of expansins is a C-terminal CBM63. Whereas overall sequence characteristics could be correlated to substrate binding preference, the identity of amino acids occupying conserved positions that impact protein activity was better correlated with loosenin versus expansin classifications.

chitin↗
DOE OSTI2025

Microstructure‐Dependent Sodium Storage Mechanisms in Hard Carbon Anodes

Sustainable energy storage is essential to support the transition to renewables and meet the increasing demand for energy. Sodium‐ion batteries (NIBs) are attractive for grid‐scale energy storage due to the abundance and low cost of sodium, sustainability of other battery components, and electrochemical performance. Hard carbon (HC) is a leading anode material for NIBs, but its complex microstructure complicates the understanding of sodium storage mechanisms. Using X‐ray total scattering and density functional theory calculations, this study clarifies how HC's microstructural variations influence sodium storage across the slope (high potential) and plateau (low potential) regions of the potential capacity curve. In the slope region, sodium initially adsorbs at high‐binding energy defect sites and subsequently intercalates between graphene layers, adsorbing at low‐binding energy defect sites, correlating with different slopes observed during initial sodiation. Initial irreversibility arises from sodium trapping at surface defects and solid electrolyte interface formation. In the plateau region, sodium simultaneously intercalates and fills pores, influenced by pore size, interlayer spacing, and defect concentration. HCs with larger pore sizes form larger sodium clusters. In conclusion, the proposed mechanism underscores the role of microstructure engineering in enhancing HC performance and advancing NIBs for grid‐scale energy storage.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Exascale granular microstructure reconstruction in 3D volumes of arbitrary geometries with generative learning

Reconstructing 3D granular microstructures within volumes of arbitrary geometries from limited 2D image data is crucial for predicting the material properties, as well as performances of structural components accounting for material microstructural effects. We present a novel generative learning framework that enables exascale reconstruction of granular microstructures within complex 3D geometric volumes. Building upon existing transfer learning techniques using pre-trained convolutional neural networks (CNN), we introduce several key innovations to overcome the difficulties inherent in arbitrary geometries. Our framework incorporates periodic boundary conditions using circular padding techniques, ensuring continuity and representativeness of the reconstructed microstructures. We also introduce a novel seamless transition reconstruction (STR) method that creates statistically equivalent transition zones to integrate multiple pre-existing 3D microstructure volumes. Based on STR, we propose a cost-effective strategy for reconstructing microstructures within complex geometric volumes, minimizing computational waste. Validation through numerical experiments using kinetic Monte Carlo simulations demonstrates accurate reproduction of grain statistics, including grain size distributions and morphology. A case study involving the reconstruction of a 4-blade propeller microstructure illustrates the method’s capability to efficiently handle complex geometries. In conclusion, the proposed framework significantly reduces computational demands while maintaining high reconstruction quality, paving the way for scalable microstructure reconstruction in materials design and analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Chemistry imaging and distribution analysis of rare earth elements in coal using LIBS and LA-ICP-MS instruments

Currently, demand for rare earth elements (REEs) increased significantly. Coal is actively evaluated as potential economic sources for extraction of REEs. Here, in this work, laser-induced breakdown spectroscopy (LIBS) was evaluated for rapid estimation of REEs content and their distribution in the natural coal samples. The results were compared with similar laser ablation–inductively coupled plasma–mass spectrometry (LA-ICP-MS) measurements. Thirteen coal samples (nine standard samples and five natural samples) were used in this study. Powder samples were pressed into pellets while coal chunks were directly ablated for data recording. Pellets of the powder standard samples were used to optimize the data acquisition system and then data recorded with this optimized system was used to identify the proper data acquisition and analysis models. After establishing the proper data acquisition system and analysis model using the standard samples, natural coal samples in powder form and their chunks were utilized to record LIBS and LA-ICP-MS spectra. Multivariate calibration models were developed using four of the natural samples, which were evaluated by predicting the REE content in the fifth sample. Principal component analysis was performed on the LIBS data obtained from the natural samples and it classified all the samples with high accuracy. Two-dimensional (2D) elemental mapping on coal chunk samples was also performed using both LIBS and LA-ICP-MS to study the distribution of REEs in the samples. The resulting elemental images and their correlations can be used to infer mineral distributions.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

srlife : A software tool for estimating the life of high temperature concentrating solar receivers. Part II – Ceramic receivers

As Concentrating Solar Power (CSP) technologies aim for higher operating temperatures to enhance efficiency and meet industrial process heat demands, high-temperature metallic materials, including nickel-based superalloys, face challenges in maintaining structural integrity. Advanced ceramics offer a promising alternative due to their superior high-temperature strength. However, accurately assessing the performance of ceramic components requires a fundamentally different approach from that used for metallic components. This Part II of a two-part paper describes the integration of ceramic statistical failure models within srlife – an open-source tool for predicting the life of high-temperature CSP receivers. These models account for the inherent variability in ceramic strength, as well as the effects of subcritical crack growth (SCG) under high temperature cyclic loads. Here, the paper includes an example problem that demonstrate the process of evaluating ceramic receivers using srlife. Part I details the life estimation process for metallic receivers (i.e. creep-fatigue life) along with input and output data structure, thermohydraulic analysis, and structural analysis. The complete tool is available as open-source software at https://github.com/srlife-project/srlife and can be installed via the PyPi package manager (https://pypi.org). By supporting both ceramic and metallic receiver analyses, srlife facilitates fair comparisons between competing metallic and ceramic designs, enabling accurate evaluations of plant efficiency and the economic benefits of ceramic solar receivers and other components.

High temperature ceramic receivers↗
DOE OSTI2025

Hygroscopic Metal-Complex Coated Metal Foam for Moisture Management

Moisture management for improving indoor air quality is critical for health and thermal comfort. Recently, the use of desiccant-coated heat exchangers (HXs) has emerged as a promising dehumidification approach to reduce energy consumption as compared with conventional vapor compression-based air dehumidification. The desiccant material is a key component of dehumidification performance. However, currently used desiccant materials have a low moisture uptake capability and require a high temperature for regeneration. The current study investigated the dehumidification performance of a metal-complex-based hygroscopic desiccant-coated metal foam HX. Furthermore, the results revealed that the desiccant-coated foams display increased hydrophilicity compared with the uncoated metal surfaces. Additionally, the desiccant coating had superior moisture absorption capability of more than 2 g/g desiccant , which is much higher than commonly used zeolite and silica gels. Wind tunnel experiments showed that the coating absorbs moisture from humid air and can be effectively regenerated at low temperatures. Additionally, the coating did not increase the pressure drop of the HX. Overall, the results of this study suggest that this desiccant-coated metal form can potentially be used for moisture management in the building sector.

Atmospheric chemistry↗
DOE OSTI2024

Systematic characterization of selenium speciation in coal fly ash

Millions of tons of coal fly ashes (CFAs) are produced annually during coal combustion in the U.S., which are commonly beneficially used in the concrete industry or disposed of in ash ponds. CFAs contain trace amounts of a range of toxic heavy metals including selenium (Se). Because the toxicity of Se is dependent on its speciation, investigating Se speciation in CFAs as affected by coal source and combustion conditions can help understand the related environmental and human health impacts during disposal or beneficial reuse. In this study, a set of representative CFA samples were characterized for Se speciation using synchrotron X-ray absorption spectroscopy (XAS) and micro-X-ray fluorescence spectromicroscopy (μ-XRF/XAS). Se-containing particles were highly heterogeneous, and individual particles might contain multiple oxidation states including Se(0), Se(IV), and Se(VI). Principal component analysis was performed for sample characteristics including Al 2 O 3 , SiO 2 , CaO, FeO, loss on ignition, average particle size, Se concentration, and Se oxidation state. Selective catalytic reduction (SCR), which is used to limit nitrogen oxide (NO x ) emissions during coal combustion, was found to be associated with the presence of reduced Se oxidation states, with up to 90% Se(0) observed in samples with SCR. Alongside SCR, FeO content may also influence Se speciation.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2025

CuXASNet: Rapid and accurate prediction of copper L-edge x-ray absorption spectra using machine learning

In this work, we have developed CuXASNet, a dense neural network that predicts simulated Cu -edge x-ray absorption spectra (XAS) from atomic structures. Featurization of the Cu local environment is performed using a component of M3GNet, a graph neural network developed for predicting the potential energy surface. CuXASNet is trained on simulated spectra from FEFF9 at the multiple scattering level of theory, and can predict the and edges for Cu sites to quantitative accuracy. To validate our approach, we compare 14 experimental spectra extracted from the literature with the predictions of CuXASNet. The agreement of CuXASNet with experiments is shown by an average mean absolute error of 0.125 and an average Spearman's correlation coefficient of 0.891, which is comparable to FEFF9's values of 0.131 and 0.898 for the same metrics. As such, CuXASNet can rapidly predict a large number of -edge XAS spectra at the same accuracy as FEFF9 simulations. This can be used as a drop-in replacement for multiple scattering codes for fast screening of candidate atomic structure models of a measured system. This model establishes a general framework for Cu XAS prediction, and can be extended to more computationally expensive levels of theory and to other transition metal edges.

36 MATERIALS SCIENCE↗