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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Grid Resilient, Self-Powered, Fuel Flexible, High Efficiency Heating System (Final Report)

The Grid Independent High Efficiency System (GIHES) delivers a heating system that operates free from the power grid and provides ultra-low emissions and high efficiency heating for residential and commercial buildings. The project demonstrated two weeks of continuous grid independent operation of a storage water heater equipped with a powered damper. The Thermoelectric Generator (TEG) integrated GIHES technology revolutionizes heating systems to provide grid resilient hot water production, while delivering significant value to the end user by eliminating impacts of power interruption and enhancing comfort, convenience and productivity. The system maximizes the thermal-to-electric conversion efficiency by optimizing location and orientation of the TEGs and durability while lowering system costs. The TEGs generate enough power to charge a battery and run the storage water heater unit with a powered damper uninterrupted by providing the required parasitic electrical power for start-up, shutdown and during idling. Several TEGs were analytically and experimentally evaluated based on the size, surface area and the power being generated before designing and fabricating a complete multi-TEG assembly for integration with the water heater. The GIHES technology can be extended to boilers, furnaces and tankless water heaters and integrated with heat pump to further increase the overall equipment efficiency. The technology has the potential to reduce the amount of dispatch power and peak power plant operation. An advanced burner was designed, developed and 3D printed for fuel flexible operation. The burner was designed to enable tighter integration with TEGs for potentially higher TEG output, should this be necessary. A bench-scale test rig to perform testing of a 200,000 Btu/h burner and capable of handling up to 10% H2 (by volume) was setup at GTI’s laboratory with appropriate safety and controls to ensure smooth and safe operation. Testing of the 3D burner showed < 5 ppm NOx emissions can be achieved for the entire firing range and with different levels of hydrogen blends with natural gas. The burner will enable a more integrated TEG-burner module design for improved system performance, should this be required in the future. Techno-economic analysis (TEA) of the TEG integrated with the water heaters was performed. The testing data and the power output were used to develop the TEA. The analysis for the storage unit with damper showed that the TEG integrated system costs $95. This is much lower than a one-time charge needed to wire and install dedicated power. Discussions with TEG manufacturers and OEM’s will provide more detailed information and methods to further lower these costs.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

From Molecules to Modules: Advanced Characterization of Membrane Systems

Membrane technologies can enhance the efficiency and selectivity of chemical separations in energy-water systems. Advanced characterization tools are critical for discerning separation mechanisms, revealing degradation processes, and designing novel materials and material systems for new and emerging challenges. The pursuit of next-generation membranes for water and energy applications requires understanding phenomena at the molecular scale, mesoscale, and macroscale. This perspective highlights advanced characterization techniques for elucidating and enhancing membrane performance, while addressing fundamental trade-offs involved in characterizing membranes under realistic conditions.

Zhu, Yaguang [Princeton University, NJ (United Sta↗
DOE OSTI2020

A Beehive Inspired Hydrogen Photocatalytic Device Integrating a Carbo–Benzene Triptych Material for Efficient Solar Photo–Reduction of Seawater

The dream to produce green, clean and sustainable hydrogen from earth-abundant and free resources such as seawater and sunlight is highly motivating because of the interest for desirable economical and societal applications in energy. However, it remains challenging to develop an efficient and unassisted photocatalytic device to split seawater molecules with just sunlight without any external bias. For the first time, a such novel hierarchical material has been developed, based on thin film technology that integrates TiO 2 semiconductor layers, embedded gold nanoparticles and a photosensitive carbo-benzene layer. The design of the triptych device placing the photocatalyst in be-to-be increases the photoactive surface area by a factor 2. Its stability (>120 successive hours of hydrogen production and >5 days in a day/night representative alternation) and efficiency (STH 0.06%) are measured in NaCl-salted water. Here, the chloride ions act as hole scavengers and induce an increase of pH increasing in turn the sun-driven hydrogen production rate.

42 ENGINEERING↗
DOE OSTI2026

Electronegativity-Guided Site Differentiation in High-Entropy Alloy for pH-universal Hydrogen Evolution Reactions

Enhancing the intrinsic activity of transition metal catalysts for the hydrogen evolution reaction (HER) remains a critical challenge in sustainable energy conversion. Herein, we report an electronegativity-guided site differentiation strategy in a single-phase CoNiCuMoW high-entropy alloy (HEA) via electrodeposition by incorporating high-electronegativity 4d/5d orbital transition metals (Mo, W) into the face-centered cubic (fcc) matrix (CoNiCu). The as-synthesized HEA demonstrates exceptional HER performance in all pH conditions, delivering an outstanding overpotential of 65 mV (alkaline), 28 mV (acidic), and 155 mV (neutral) at a current density of 100 mA cm−2, showing performance comparable to commercial Pt/C and has excellent long-term stability at high current density (1 A cm−2, 1000 h). X-Ray absorption spectroscopy (XAS) and density functional theory (DFT) calculations reveal that the incorporation of Mo/W simultaneously alters the local coordination environment and induces element-dependent charge redistribution, accompanied by a system-level d-band center downshift, thereby optimizing the hydrogen binding strength across multimetallic sites. Meanwhile, oxophilic Mo/W sites lower the water dissociation energy barrier. These synergistic effects collectively enable efficient and durable pH-universal HER performance.

Wu, Yutong↗
DOE OSTI2020

Toward hydrogen economy: Selective guaiacol hydrogenolysis under ambient hydrogen pressure

The conversion of guaiacol into the nylon precursors, cyclohexanol and cyclohexanone, is catalyzed by palladium supported on high surface area ceria (Pd/HS CeO 2 ) under mild conditions (100 °C, ≤1 bar H 2 ) via sequential hydrodemethoxylation and hydrogenation. In contrast, the 2-methoxycyclohexanol side product is generated by direct guaiacol hydrogenation. Reaction selectivity is determined by competing CO bond hydrogenolysis versus arene hydrogenation. Hydrogenolysis selectivity increases as H 2 pressure decreases, and over 80 % H 2 is incorporated into the products at 1 bar H 2 . Higher reactivity of guaiacol than anisole implies that the hydroxyl group is essential in Pd/HS CeO 2 catalysis. Participation of water in the conversion is evidenced by deuterium incorporation at non-exchangeable positions when the reaction is performed in D 2 O. Here, the combination of near quantitative mass balance of H 2 , high recyclability, and use of water as a solvent offers a simple, green and efficient conversion of lignin-derived aromatics into commercial products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Capillary-Enhanced Two-Phase Micro-Cooler Using Copper-Inverse-Opal Wick with Silicon Microchannel Manifold for High-Heat-Flux Cooling Application

In this work, we demonstrate a two-phase capillary-fed boiling micro-cooler that consists of a ~ 25-..mu..m-thick copper inverse opal (CIO) porous wicking structure for high-heat-flux boiling and a silicon 3D-manifold for distributed liquid delivery and vapor extraction across a 0.5 cm x 0.5 cm heated area. At low inlet water mass flow rates of 1.5 to 1.9 g(min)-1, the micro-cooler displays nearly two-phase boiling with exit vapor quality ~ 1 and a high critical heat flux (CHF) of 253 to 320 W cm-2 with low superheat of ~ 10 degrees C resulting in a thermal resistance of boiling ~ 0.025 cm2 degrees C W-1 or heat transfer coefficient of 0.4 MW m-2 degrees C-1. For higher flow rates of 5, 10, and 15 g(min)-1, the micro-cooler exhibits a hybrid single-phase and two-phase cooling regime where the contribution of the sensible heat (single-phase) cooling is linearly added to that of the two-phase cooling. For the highest flow rate of 15 g(min)-1, the CHF is increased to ~ 500 W cm-2 resulting in an overall thermal resistance of ~ 0.18 cm2 degrees C W-1. However, the two-phase heat transfer effectiveness, which estimates the utilization level of the inlet mass flow rate for two-phase boiling, is reduced to ~ 0.11. To achieve the best cooling system performances, the micro-cooler must operate entirely within the two-phase boiling regime (exit vapor quality or two-phase heat transfer effectiveness ~ 1). Ideally, the "coolant" should be delivered near its saturation temperature (~ 100 degrees C for water), which provides significant advantages for the energy-efficient operation of data centers and power electronics. We present detailed analysis with Infrared and high speed camera images at various inlet flow rates and heat fluxes to understand complex heat transfer in the micro-cooler. Furthermore, a conjugate thermofluidic simulation model, which incorporates the physics of capillary-fed boiling in a porous copper layer, agrees well with the experimental data.

capillary-enhanced boiling↗
DOE OSTI2023

A reduced order sulfuric acid decomposition model for a nuclear-powered hybrid sulfur cycle

A reduced order model of sulfuric acid decomposition within a bayonet chemical reactor was developed to support the U. S. Department of Energy Integrated Energy System program, and address the lack of knowledge in scaling and integration for joint chemical and nuclear processes. Sulfuric acid decomposition within a bayonet reactor was modeled to provide chemical and thermodynamic data relevant to advanced nuclear reactor-driven integrated energy systems based on desired operational scale and operational conditions. The temperature range required for high-temperature advanced nuclear reactor integrated energy systems, 750-850 °C, was shown to produce reasonable agreement (within a few percent relative error) with past models and experimental data, and yielded good efficiency results for bayonet reactor operations. The results of the reduced order model agreed with previous work from Savannah River National Labs within a maximum of 3.4% error on the decomposition of sulfur trioxide, and on previous Hybrid Sulfur flowsheets from Gorensek and Summers that showed operational temperature, pressure, and composition ranges for efficiency which made the Hybrid Sulfur cycle competitive with water electrolysis. Here, the agreement with previous high-fidelity models provided a framework for future Integrated Energy System grid evaluations with an advanced nuclear reactor and large-scale hydrogen production using a mathematical model to represent chemical operations.

08 HYDROGEN↗
DOE OSTI2022

Polymeric Microcapsules as Robust Mimics of Emulsion Liquid Membranes for Selective Ion Separations

Selective ion separations are increasingly needed to combat water scarcity, recover resources from wastewater, and enable the efficient recycling of electronics waste. Emulsion liquid membranes (ELMs) have received interest due to rapid kinetics, high selectivities, and low solvent requirements but are too unstable for industrial usage. Here, we demonstrate that polymeric microcapsules can serve as robust, solvent-free mimics of ELMs. As a proof of concept, we incorporated the copper-selective ligand Lix 84-I in the walls of microcapsules formed from a commercial polystyrene-b-polybutadiene-b-polystyrene triblock polymer. The microcapsules were formed from a double-emulsion template, resulting in particles typically 20–120 μm in diameter that encapsulated even smaller droplets of a dilute (≤0.5 M) H 2 SO 4 solution. Batch experiments demonstrated facilitated-transport behavior, with equilibrium reached in as little as 10 min for microcapsules with 1% ligand, and with ~15-fold selectivity for Cu 2+ over Ni 2+ . Furthermore, the microcapsules could be packed readily in columns for flow-through operation, thus enabling near-complete Cu 2+ removal in ~2 min under certain conditions, recovery of Cu 2+ by flowing through fresh dilute H 2 SO 4 , and reuse for at least 10 cycles. The approach in this work can serve as a template for using selective ligands to enable robust and simple flow-through processes for a variety of selective ion separations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Toward Lithium Recovery Using Modular (and Membraneless) Phase Separation and Extraction (MPSE) Technology with Ionic Liquid (IL) Solvents: Effect of Coatings

In this work, a single-channel slope-plate Modular and Membrane-less Phase Separation and Extraction (MPSE) device was fabricated using 3D printing. The slope-plate was designed with an insertable glass slide to enable surface modification with coatings. Self-assembled monolayers (SAMs) and perfluoropolyether (Zdol) coatings were applied to tailor surface wettability and enhance phase separation. Using a model biphasic system of water and hexadecane, both coatings significantly improved the separation efficiency compared to the uncoated device by promoting selective wetting. Building on these results, lithium extraction from a simulated saline solution was investigated using 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][NTf₂]) as the ionic liquid (IL) extractant. The IL effectively extracted Li⁺ from the aqueous phase in bulk extraction, demonstrating its potential for lithium recovery. However, the low interfacial tension between the IL and aqueous phases posed challenges for phase separation. The application of SAM and Zdol coatings effectively mitigated this issue. Overall, integrating tailored surface chemistry with the slope-plate MPSE design shows great promise as an efficient and scalable platform for studying liquid–liquid separation and optimizing ionic liquid–based extraction processes for lithium recovery from saline sources.

3D printing↗
DOE OSTI2020

The importance of sulfonate to the self-doping mechanism of the water-soluble conjugated polyelectrolyte PCPDTBT-SO 3 K

The conjugated polyelectrolyte poly[2,6-(4,4-bis-potassium butanylsulfonate-4H-cyclopenta-[2,1-b;3,4-b']-dithiophene)-alt-4,7-(2,1,3-benzothiadiazole)] (PCPDTBTSO 3 K, or CPE-K) is part of a unique class of organic semiconducting polymers that are soluble in water and become doped in the presence of a proton source. One of these proton sources is water, which CPE-K is exposed to during purification by dialysis, allowing for its immediate use without an additional doping step. Previous studies have suggested that the actual dopant is H + , and that the addition of sodium hydroxide to CPE-K reverses the process and de-dopes the polymer. Curiously, the majority of these water-soluble self-doped polymers in the literature contain a pendant sulfonate group. However, a detailed study to gain insight into the importance of the sulfonate group in water-soluble self-doped polymer systems is lacking, despite its widespread presence in the literature. In this work, using Fourier-transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), and ultraviolet-visible-near infrared (UV-vis-NIR) absorption spectroscopy, we are able to elucidate the role of the pendant sulfonate group with regards to the fundamental doping mechanism of CPE-K. Specifically, we found the CPDT unit can be protonated by water, which is due to both the stabilizing influence of the sulfonate group, and the relatively high oxidation potential of the CPDT unit, both of which are required for self-doped water soluble polymer systems. Furthermore, we estimate the doping efficiency of CPE-K using electrical measurements and X-ray reflectivity (XRR), and reveal several different methods for the doping and de-doping of this material, showcasing this particular material's superior versatility.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Side chain engineering in indacenodithiophene- co -benzothiadiazole and its impact on mixed ionic–electronic transport properties

Organic semiconductors are increasingly being decorated with hydrophilic solubilising chains to create materials that can function as mixed ionic–electronic conductors, which are promising candidates for interfacing biological systems with organic electronics. While numerous organic semiconductors, including p- and n-type materials, small molecules and polymers, have been successfully tailored to encompass mixed conduction properties, common to all these systems is that they have been semicrystalline materials. Here, we explore how side chain engineering in the nano-crystalline indacenodithiophene-co-benzothiadiazole (IDTBT) polymer can be used to instil ionic transport properties and how this in turn influences the electronic transport properties. This allows us to ultimately assess the mixed ionic–electronic transport properties of these new IDTBT polymers using the organic electrochemical transistor as the testing platform. Using a complementary experimental and computational approach, we find that polar IDTBT derivatives can be infiltrated by water and solvated ions, they can be electrochemically doped efficiently in aqueous electrolyte with fast doping kinetics, and upon aqueous swelling there is no deterioration of the close interchain contacts that are vital for efficient charge transport in the IDTBT system. Despite these promising attributes, mixed ionic–electronic charge transport properties are surprisingly poor in all the polar IDTBT derivatives. Albeit a “negative” result, this finding clearly contradicts established side chain engineering rules for mixed ionic–electronic conductors, which motivated our continued investigation of this system. We eventually find this anomalous behaviour to be caused by increasing energetic disorder in the polymers with increasing polar side chain content. We have investigated computationally how the polar side chain motifs contribute to this detrimental energetic inhomogeneity and ultimately use the learnings to propose new molecular design criteria for side chains that can facilitate ion transport without impeding electronic transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Integrated Modeling and Optimal Operation of Multi-Energy System for Coastal Community

Focusing on remote, isolated, and underserved communities, a multi-energy system is designed in this research which is capable of utilizing different energy sources in a more coordinated and energy-efficient way to support various demands, such as fresh water, electricity, hydrogen, thermal demand, etc. The energy sources considered are renewables (wind, solar, marine) and natural gas. The energy conversion process includes water desalination, gas combustion, water electrolyzation, and different types of storage (hydrogen tank, electricity, thermal, etc.) are designed to serve as buffers in supply-demand balancing. Sets of experiments are designed to demonstrate the effectiveness of the proposed operating model and investigate the impact of uncertainties from renewable generations and demands.

Chen, Yang↗
DOE OSTI2022

Modular, Crushed-Rock Thermal Energy Storage Pilot Design (Final Report)

The goal of this project was to design a next-step pilot to advance near-term energy storage integrated with a fossil plant to provide a facility capable of being viable and effective in a market with growing penetration of variable renewable energy (VRE). Thermal energy storage (TES) represents an ideal technology for this purpose. The completed effort included a feasibility study to prepare for the Phase II pre-front end engineering design (pre-FEED) for implementing a crushed-rock TES system integrated with a natural gas combined cycle (NGCC) plant. The crushed rock storage technology, which is being developed by Brenmiller Energy, is a modular TES system termed bGen™, which can accommodate both thermal and electrical inputs and output steam, hot water, or hot air. For this application, the estimated efficiency is 80% thermal to thermal. For the feasibility study, the Brenmiller technology was designed to operate on a slipstream from NYPA’s Eugene W. Zeltmann Power Project (Zeltmann) NGCC plant in Astoria, New York. The projected size of the system will be up to 4 MWe with at least 4 hours of storage duration, or 16 MWh-e total. The study also included a techno-economic evaluation of a 200 MWh commercial-scale demonstration. Prior to this project, EPRI had reviewed Brenmiller’s technology, which is being built to demonstrate bGen™ at 1.7 MWe on a solar plant (Rotem) and has been designed for an NGCC facility in Italy, assessing it at technology readiness level (TRL) 5. Brenmiller is also conducting a separate 1-MWth pilot with NYPA that pairs a bGen™ module with a microturbine for a combined-heat-and-power (CHP) application to improve efficiency and provide flexibility. The next-step pilot being designed as part of this project would represent a 5-fold increase in scale, versus Rotem, and would show the technology’s ability to provide effective and economical energy storage, bringing the technology to TRL 6. This pilot would represent the next-to-last demonstration scale before the technology could be commercial ready at GWh-e scales in the 2030 timeframe. The main objective of the work completed by the Electric Power Research Institute, Inc. (EPRI), Brenmiller Energy (Brenmiller), New York Power Authority (NYPA), and United E&C (formerly AECOM) was to perform a Phase I feasibility study on the integration of a crushed-rock thermal energy storage (TES) with a fossil plant. Under this project, the EPRI-led team successfully completed a feasibility study to prepare for the potential future Phase II pre-front end engineering design (pre-FEED) to implement a crushed-rock TES system integrated with a natural gas combined cycle (NGCC) plant. Specific deliverables under this project included the Technology Maturation Plan, Conceptual Study, Techno-Economic Assessment, Technology Gap Assessment, Project Plan for Phase II (submitted as Phase II Renewal Application), Commercialization Plan, and the Final Report (this document). This Final Report includes a compilation of the various summary reports that were prepared during the 12-month schedule of the Phase I project execution under award DE-FE0032017.

03 NATURAL GAS↗
DOE OSTI2023

Application of Heat Transfer Enhancement (HTE) System for Improved Efficiency of Power Plant Condensers

The mission of the National Energy Technology Laboratory (NETL), a U.S. laboratory under the Department of Energy, is to drive innovation and deliver solutions for an environmentally sustainable and prosperous energy future. Through the U.S. Department of Energy (DOE)/Fossil Energy’s (FE) Crosscutting Research Program, NETL funded Interphase Materials to develop and demonstrate a technology to improve power plant condenser efficiency. From 2018 through 2021, Interphase Materials developed THERMOPHASE, an advanced material applied to the condenser during plant operation to increase efficiency and lower fuel consumption, CO 2 emissions, and water withdrawal. THERMOPHASE was evaluated in controlled environments where improvements to heat transfer and a reduction in fouling were observed. THERMOPHASE was also applied to the main condenser of the Longview Power plant and changes to the plant performance were monitored. After two years following application of THERMOPHASE, a reduction in condenser back pressure of 0.26 ± 0.13 inHg was observed resulting in an estimated $3.35M in fuel savings, 136 million lbs. of decreased CO 2 emissions, and 1,287 million gallons reduced water withdrawal.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2021

Development of a Modular, Crushed-Rock Thermal Energy Storage Pilot Design

The goal of this project, primarily funded by the U.S. Department of Energy, is to design a next-step pilot to advance near-term energy storage integrated with a fossil plant to provide a facility capable of being viable and effective in a market with growing penetration of variable renewable energy (VRE). Thermal energy storage (TES) represents an ideal technology for this purpose. The current effort will complete a feasibility study to prepare for the Phase II pre-front end engineering design (pre-FEED) for implementing a crushed-rock TES system integrated with a natural gas combined cycle (NGCC) plant. The crushed rock storage technology, which is being developed by Brenmiller Energy, is a modular TES system termed bGen™, which can accommodate both thermal and electrical inputs and output steam, hot water, or hot air. For this application, the estimated efficiency is 80% thermal to thermal. The TES technology is being designed to operate on a slipstream from NYPA’s Eugene W. Zeltmann Power Project (Zeltmann) natural gas combined cycle (NGCC) plant. The projected size of the system will be up to 4 MWe with at least 4 hours of storage duration, or 16 MWh-e total. Final sizing is being determined during the ongoing feasibility study. The next-step pilot being designed as part of the current project will represent a 5-fold increase in scale for this TES technology, and will be used to validate the technology’s ability to provide effective and economical energy storage. This pilot would represent the next-to-last demonstration scale before the technology could be commercial ready at GWh-e scales in the 2030 timeframe. This project is expected to design the critical next-step pilot, which will be undertaken in real-world operating conditions to better determine the crushed rock TES technology’s ability to be integrated with an NGCC plant and assess degradation over transient cycling at rates befitting various marketplaces. The crushed-rock TES pilot design is a technically feasible next step in the development of the technology and is built upon years of prior testing and demonstration. The proposed TES technology was developed by Brenmiller over the last 8 years and has been tested in 3 generations of demonstration units at various sites, globally. During this field testing, different characteristics and performance of the technology were validated, including the following key features: energy storage capacity, energy storage charge/discharge rate, energy storage loses, energy storage mechanical testing. This presentation will provide an update on the results of the conceptual design study for the modular crushed-rock TES system, integrated with a NGCC power plant.

03 NATURAL GAS↗
DOE OSTI2024

Basic Energy Sciences Roundtable: Foundational Science to Accelerate Nuclear Energy Innovation

Energy security, availability, and reliability are among the greatest challenges facing the nation and the planet. An abundant potential source of energy resides in the fundamental atomic building blocks of the universe in the form of nuclear fission and fusion reactions. In fact, energy from nuclear fission currently provides the majority of the world’s zero-carbon electricity, and future fusion energy systems offer great promise; carbon-free nuclear energy technologies can be key to the world’s decarbonized energy future. Although contemporary fission systems use well-established technologies to supply safe and efficient baseload power, they could be more fuel efficient and less costly. Moving beyond massive light-water fission reactors to a variety of advanced nuclear systems—which will vary in size and operate in extremes of temperature, corrosivity, and other parameters—will place stringent conditions on materials and chemical systems. New demands will be placed on the coolants and solvents, the materials, and the monitoring tools used in these reactors. Fusion-based nuclear energy will require superior materials to withstand extremely high temperatures, plasma exposure, radiation damage, and implanted gases. The advantages associated with these new fission and fusion technologies will be realized only through continued advancements in the fundamental science underpinning our knowledge of the physics and chemistry of nuclear systems gained via improved experimental and computational methods. In July 2022, the U.S. Department of Energy’s Office of Basic Energy Sciences—in coordination with the Offices of Nuclear Energy, Fusion Energy Sciences, and Advanced Scientific Computing Research—held a virtual roundtable titled “Foundational Science to Accelerate Nuclear Energy Innovation” to discuss the scientific and technical barriers for advanced nuclear energy systems. Five priority research opportunities were identified to address these scientific and technical challenges and to accelerate progress toward the realization of next-generation fusion and fission energy systems. The foundational science gaps inhibiting the advancement of nuclear energy technologies are identified and tackled in five priority research opportunities. These opportunities pave the way to accelerate the development and ultimately the adoption of new nuclear energy systems. They include the fundamental aspects of ion-electron interactions; novel properties of next-generation coolants and solvents; interfacial dynamics, not only in solids, but in other aspects of nuclear reactors; novel operando and in situ monitoring and sensing; and artificial intelligence to accelerate condensed phases discovery. Building on the foundation established by previous Basic Energy Sciences workshops, these opportunities encompass recent advances in fundamental knowledge and focus on the experimental and computational methods needed to resolve major technical challenges for nuclear energy technologies. Through developing fundamental scientific insight as well as pushing the frontiers of modeling complex systems and probing the operation of materials and chemical systems in extreme environments, research motivated by the priorities identified here will further develop the promise, potential, and utilization of nuclear energy for a clean energy future.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Model Development and Analysis of a High-Fidelity Neutron Transport Sensor: The Quadrupole Detector Concept for Measurement of the Neutron Flux Gradient

Accurate reconstruction of the neutron flux distribution within a reactor core is essential for safe and efficient reactor operation. Traditional power shape synthesis in Light Water Reactors relies on hundreds of in-core detectors. However, this approach becomes impractical for Advanced Reactors and Microreactors due to limited space and harsh environments. To address this challenge, we propose a data-driven methodology that combines high-fidelity modeling with real-time ex-core sensor measurements, enabling the reconstruction of core power distribution while minimizing the reliance on intrusive in-core instrumentation. This project began in FY24 and achieved two initial milestones: (1) the definition of a three-year development plan for a Digital Twin framework and (2) the development of high-fidelity neutronics models of the Purdue University Reactor One (PUR-1) using both MCNP6 and OpenMC. The PUR-1 reactor, a zero-power facility, was selected due to its suitability for neutronics-focused modeling and the availability of experimental data for validation. Both models were benchmarked using neutron flux measurements obtained from irradiated gold foils, which were strategically placed within the core during a dedicated campaign in July 2024. This report marks the continuation and completion of those foundational tasks. The OpenMC model has been refined (improved geometric accuracy, expanded cross-section libraries, and refined sampling) and validated using additional experimental data. An updated sensor design—based on quadrupole configuration—was designed to measure both ex-core flux and its spatial gradient. These measurements will serve as inputs to a neural network-based reconstruction algorithm. Finally, the methodology was demonstrated on a two-dimensional test case representative of the heterogeneous material composition of the PUR-1 reactor core. A neural network implementation of the Kirchhoff-Helmholtz integral equation was employed to solve the boundary value problem using peripheral sensor measurements. The preliminary results confirm the strong potential of the proposed approach for accurate and minimally invasive neutron flux reconstruction.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗