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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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Comparing Thermal Neutron Scintillators for Use With SiPM-Readout Detectors

Scintillator-based thermal neutron detectors for scientific scattering facilities offer an effective combination of large-area coverage and good spatial resolution. At Oak Ridge National Laboratory, silicon photomultiplier (SiPM)-readout Anger cameras using 6 Li glass scintillators have been developed, but the spatial resolution of these detectors is limited by the relatively low light yield of the glass. Recently, several brighter scintillator compositions with sufficient 6 Li concentration have emerged as promising candidates for higher-resolution imaging. Here, in this work, we evaluate five scintillator materials: GS20, LiF/ZnS:Ag, LiF/ZnO:Zn, LiI:Eu, and Cs 2 LiYCl 6 :Ce, each mounted on a SiPM Anger camera. For each scintillator, the neutron detection efficiency, spatial resolution, and count rate capabilities were measured and compared. Each of the new compositions achieved a spatial resolution better than 0.5 mm, compared to 0.66 mm for GS20, with LiI:Eu reaching the best value of 0.32 mm. Although these compositions improve the spatial resolution of the Anger camera, their longer pulse decay times limit their use in high count rate applications, and the camera’s hardware must be optimized for the different properties of the new scintillators.

Neutron detectors↗
DOE OSTI2015

FEM design and simulation of a short, 10 MV, S-band Linac with Monte Carlo dose simulations

Purpose: Current commercial 10 MV Linac waveguides are 1.5 m. The authors’ current 6 MV linear accelerator–magnetic resonance imager (Linac–MR) system fits in typical radiotherapy vaults. To allow 10 MV treatments with the Linac–MR and still fit within typical vaults, the authors design a 10 MV Linac with an accelerator waveguide of the same length (27.5 cm) as current 6 MV Linacs. Methods: The first design stage is to design a cavity such that a specific experimental measurement for breakdown is applicable to the cavity. This is accomplished through the use of finite element method (FEM) simulations to match published shunt impedance, Q factor, and ratio of peak to mean-axial electric field strength from an electric breakdown study. A full waveguide is then designed and tuned in FEM simulations based on this cavity design. Electron trajectories are computed through the resulting radio frequency fields, and the waveguide geometry is modified by shifting the first coupling cavity in order to optimize the electron beam properties until the energy spread and mean energy closely match values published for an emulated 10 MV Linac. Finally, Monte Carlo dose simulations are used to compare the resulting photon beam depth dose profile and penumbra with that produced by the emulated 10 MV Linac. Results: The shunt impedance, Q factor, and ratio of peak to mean-axial electric field strength are all matched to within 0.1%. A first coupling cavity shift of 1.45 mm produces an energy spectrum width of 0.347 MeV, very close to the published value for the emulated 10 MV of 0.315 MeV, and a mean energy of 10.53 MeV, nearly identical to the published 10.5 MeV for the emulated 10 MV Linac. The depth dose profile produced by their new Linac is within 1% of that produced by the emulated 10 MV spectrum for all depths greater than 1.5 cm. The penumbra produced is 11% narrower, as measured from 80% to 20% of the central axis dose. Conclusions: The authors have successfully designed and simulated an S-band waveguide of length of 27.5 cm capable of producing a 10 MV photon beam. This waveguide operates well within the breakdown threshold determined for the cavity geometry used. The designed Linac produces depth dose profiles similar to those of the emulated 10 MV Linac (waveguide-length of 1.5 m) but yields a narrower penumbra.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2018

Calculation of the Physicochemical Characteristics of a New Orthorhombic Form of Diamond

A geometrically optimized structure and some properties of a new diamond polymorph have been assessed using density-functional theory calculations in the local-density approximation. The new phase has a primitive orthorhombic lattice (Pmma). The calculation results indicate that the density, sublimation energy, bulk modulus, Vickers hardness, and band gap of this phase are lower than those of cubic diamond by 5–18%. The orthorhombic diamond polymorph can be obtained by compressing graphite in the [001] direction at a pressure of 59.4 GPa. For this phase transition, we calculated theoretical X-ray diffraction patterns of the new phase and intermediate states, which can be used for their identification in experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Mixed Polyanion Glass Cathodes: Mixed Alkali Effect

In lithium-ion batteries, mixed polyanion glass cathodes have demonstrated high capacities (200-500 mAh/g) by undergoing conversion and intercalation reactions. Mixed polyanion glasses typically have the same fundamental issues as other conversion cathodes, i.e.: large hysteresis, capacity fade, and 1st-cycle irreversible loss. A key advantage of glass cathodes is the ability to tailor their composition to optimize the desired physical properties and electrochemical performance. The strong dependence of glass physical properties (e.g., ionic diffusivity, electrical conductivity, and chemical durability) on the composition of alkali mixtures in a glass is well known and has been named the mixed alkali effect. The mixed alkali effect on battery electrochemical properties is reported here for the first time. Depending on glass composition, the mixed alkali effect is shown to improve capacity retention during cycling (from 39% to 50% after 50 cycle test), to reduce the 1st-cycle irreversible loss (from 41% to 22%), and improve the high power (500 mA/g) capacity (from 50% to 67% of slow discharge capacity).

Kercher, A. K.↗
DOE OSTI2018

A first principles study of energetics and electronic structural responses of uranium-based coordination polymers to Np incorporation

Abstract Recently developed coordination polymers (CPs) and metal organic frameworks (MOFs) may find applications in areas such as catalysis, hydrogen storage, and heavy metal immobilization. Research on the potential application of actinide-based CPs (An-CP/MOFs) is not as advanced as transition metal-based MOFs. In order to modify their structures necessary for optimizing thermodynamic and electronic properties, here, we described how a specific topology of a particular actinide-based CP or MOF responds to the incorporation of other actinides considering their diverse coordination chemistry associated with the multiple valence states and charge-balancing mechanisms. In this study, we apply a recently developed DFT-based method to determine the relative stability of transuranium incorporated CPs in comparison to their uranium counterpart considering both solid and aqueous state sources and sinks to understand the mechanism and energetics of charge-balanced Np 5+ incorporation into three uranium-based CPs. The calculated Np 5+ +H + incorporation energies for these CPs range from 0.33 to 0.52 eV, depending on the organic linker, when using the solid oxide Np source Np 2 O 5 and U sink UO 3 . Incorporation energies of these CPs using aqueous sources and sinks increase to 2.85–3.14 eV. The thermodynamic and structural analysis in this study aides in determining, why certain MOF topologies and ligands are selective for some actinides and not for others. This means that once this method is extended across a variety of CPs with their respective linker molecules and different actinides, it can be used to identify certain CPs with certain organic ligands being specific for certain actinides. This information can be used to construct CPs for actinide separation. This is the first determination of the electronic structure (band structure, density of states) of these uranium- and transuranium-based CPs which may eventually lead to design CPs with certain optical or catalytic properties. While the reduction of the DFT-determined-bandgap goes from 3.1 eV to 2.4 eV when going from CP1 to CP3, showing the influence of the linker, Np 6+ incorporation reduces the bandgap for CP1 and CP3, while increasing it for CP2. The coupled substitution of U 6+ →Np 5+ +H + reduces the bandgap significantly, but only for CP3.

Chemistry↗
DOE OSTI2014

Carbon nanotube sizing and quantification

Carbon nanotubes have several properties that make them optimal for use in biomimetic systems. The carboxyl groups around the opening of the tube allow for functionalization of the nanotube. Their size is compatible for use in biological membranes. However, before carbon nanotubes can be usefully incorporated into lipid membranes, two things need to be known: their exact size and the number of nanotubes that will be reconstituted. To determine the size, the nanotubes were put into solution with detergent micelles (Triton x-100) in order to break up the aggregated bundles before being exchanged using dialysis membranes with another detergent (DTAB) which has a smaller micelle size. In order to quantify the number of carbon nanotubes in the lipid membranes, the carboxyl groups were functionalized with Au-Fab-FITC which can be quantified using UV-Vis spectroscopy. From there a lipid assay was performed to measure the amount of lipid in the samples, suggesting 71.3 tubes per vesicle.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Annual Report FY2014 Alternative Fuels DISI Engine Research

Due to concerns about future petroleum supply and accelerating climate change, increased engine efficiency and alternative fuels are of interest. This project contributes to the science-base needed by industry to develop highly efficient DISI engines that also beneficially exploit the different properties of alternative fuels. Lean operation is studied since it can provide higher efficiencies than traditional non-dilute stoichiometric operation. Since lean operation can lead to issues with ignition stability, slow flame propagation and low combustion efficiency, focus is on techniques that can overcome these challenges. Specifically, fuel stratification can be used to ensure ignition and completeness of combustion, but may lead to soot and NO x emissions challenges. Advanced ignition system and intake air preheating both promote ignition stability. Controlled end-gas autoignition can be used maintain high combustion efficiency for ultra-lean well-mixed conditions. However, the response of both combustion and exhaust emission to these techniques depends on the fuel properties. Therefore, to achieve optimal fuel-economy gains, the combustion-control strategies of the engine must adopt to the fuel being utilized.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2016

FY2015 Annual Report for Alternative Fuels DISI Engine Research.

Climate change and the need to secure energy supplies are two reasons for a growing interest in engine efficiency and alternative fuels. This project contributes to the science-base needed by industry to develop highly efficient DISI engines that also beneficially exploit the different properties of alternative fuels. Our emphasis is on lean operation, which can provide higher efficiencies than traditional non-dilute stoichiometric operation. Since lean operation can lead to issues with ignition stability, slow flame propagation and low combustion efficiency, we focus on techniques that can overcome these challenges. Specifically, fuel stratification is used to ensure ignition and completeness of combustion but has soot- and NOx- emissions challenges. For ultralean well-mixed operation, turbulent deflagration can be combined with controlled end-gas auto-ignition to render mixed-mode combustion that facilitates high combustion efficiency. However, the response of both combustion and exhaust emissions to these techniques depends on the fuel properties. Therefore, to achieve optimal fuel-economy gains, the engine combustion-control strategies must be adapted to the fuel being utilized.

10 SYNTHETIC FUELS↗
DOE OSTI2017

Managing Zirconium Chemistry and Phase Compatibility in Combined Process Separations for Minor Actinide Partitioning

In response to the NEUP Program Supporting Fuel Cycle R&D Separations and Waste Forms call DEFOA- 0000799, this report describes the results of an R&D project focusing on streamlining separation processes for advanced fuel cycles. An example of such a process relevant to the U.S. DOE FCR&D program would be one combining the functions of the TRUEX process for partitioning of lanthanides and minor actinides from PUREX(UREX) raffinates with that of the TALSPEAK process for separating transplutonium actinides from fission product lanthanides. A fully-developed PUREX(UREX)/TRUEX/TALSPEAK suite would generate actinides as product(s) for reuse (or transmutation) and fission products as waste. As standalone, consecutive unit-operations, TRUEX and TALSPEAK employ different extractant solutions (solvating (CMPO, octyl(phenyl)-N,Ndiisobutylcarbamoylmethylphosphine oxide) vs. cation exchanging (HDEHP, di-2(ethyl)hexylphosphoric acid) extractants), and distinct aqueous phases (2-4 M HNO 3 vs. concentrated pH 3.5 carboxylic acid buffers containing actinide selective chelating agents). The separate processes may also operate with different phase transfer kinetic constraints. Experience teaches (and it has been demonstrated at the lab scale) that, with proper control, multiple process separation systems can operate successfully. However, it is also recognized that considerable economies of scale could be achieved if multiple operations could be merged into a single process based on a combined extractant solvent. The task of accountability of nuclear materials through the process(es) also becomes more robust with fewer steps, providing that the processes can be accurately modeled. Work is underway in the U.S. and Europe on developing several new options for combined processes (TRUSPEAK, ALSEP, SANEX, GANEX, ExAm are examples). There are unique challenges associated with the operation of such processes, some relating to organic phase chemistry, others arising from the variable composition of the aqueous medium. This project targets in particular two problematic issues in designing combined process systems: managing the chemistry of challenging aqueous species (like Zr 4+ ) and optimizing the composition and properties of combined extractant organic phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Monitoring for Additive Manufacturing Technologies: Report on Progress, Achievements, and Limitations of Monitoring Techniques

The Transformational Challenge Reactor (TCR) program is leveraging additive manufacturing (AM) technologies to produce multiple nuclear components to be assembled into a fully functional microreactor core. AM was selected as the main manufacturing technology of choice for TCR because it has the potential to disrupt the nuclear industry on two fronts: (1) it enables the manufacturing of very complex geometries with optimized and tailored material properties for the intended use of the component, opening up new options for reactor designs, and (2) it allows for a better understanding of the manufacturing process through real-time in situ monitoring, data analytics, and artificial intelligence that can lead to a streamlined qualification and certification process. Within TCR, the development and deployment of a digital platform aims at addressing the latter opportunity. As part of this effort, the collection of pedigree data sets is vital, should these data be generated before, during, or after the manufacturing process. This report focuses on the collection of manufacturing process data using systems instrumentation and monitoring. It presents an inventory of the various monitoring modalities installed on the manufacturing systems by the machine manufacturer or specifically designed by our team to fill information gaps. It also provides details on other relevant data streams available and leverageable to evaluate the manufacturing process on all classes of AM systems investigated during the first year of this program. Through examples, the report gives an overview of the data collected and presents a path forward for the digital platform.

42 ENGINEERING↗
DOE OSTI2019

Viability of Data Analytics to Ascertain Component Performance for Additive Manufacturing

The Transformational Challenge Reactor (TCR) program is leveraging additive manufacturing (AM) technologies to produce multiple nuclear components to be assembled into a fully functional microreactor core. AM was selected as the main manufacturing technology for TCR because it has the potential to disrupt the nuclear industry on two fronts: (1) it enables the manufacturing of very complex geometries with optimized and tailored material properties for the intended use of the component, opening up new options for reactor designs, and (2) it allows for a better understanding of the manufacturing process through real-time in situ monitoring, data analytics, and artificial intelligence, which can lead to a streamlined qualification and certification process. Within TCR, the development and deployment of a digital platform aims at addressing the latter opportunity. As part of this effort, the collection of pedigree datasets is vital, should these data be generated before, during or after the manufacturing process. This report focuses on the development of data analytics tools enabling qualitative assessment of the manufacturing processes to automate the identification of flaws in in situ monitoring imagery and to correlate those flaws to the resulting mechanical testing data. Through examples, the report gives an overview of the data collected and presents a path forward for the digital platform.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Reinventing CEMENT: Carbonation-Enabled Mineralization to Engender Novel Technology

Cement is the most important building material used in civil infrastructure but it is extremely energy intensive to produce. We developed novel ways to make cements at low temperatures by mimicking the chemistry of the calcium silicate mineral pseudowollastonite. Pseudowollastonite is interesting because when it is exposed to hot (90-150oC), alkaline conditions with CO2 and water it reacts to form mineral phases that are much stronger than commercial cements. The resulting phases are also much more resistant to acid attack and have lower permeability, which will make them last longer. Many of the mineral phases in our cements are similar to those that exist in ancient Roman cements that have lasted thousands of years. Our objective was to understand how waste materials from industrial processes (such as power production, municipal solid waste treatment, or power plants) can be used to replicate the conditions that give pseudowollastonite cement its remarkable properties. We worked to optimize our formulations and incorporate the cements into concrete blends that the industry can test and consider using in different applications. Our cements could be used in pre-cast cement structural elements, which makes up nearly 20% of the total cement market and is growing rapidly. This work supports ARPA-E program objectives to significantly improve the industrial efficiency of materials production.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Exploring DAOS as a Burst Buffer for a 100 Gbps DAQ Real-Time Streaming System

We present an experimental evaluation of a burst buffer for a real-time DAQ streaming system designed to transmit instrument data to remote data centers. The system is based on EJ-FAT, a load balancing system capable of Nx 100Gbps streams, distributing data from event sources to processing nodes. We explore applying the DAOS system as a burst buffer to serve a number of purposes: improve resiliency, elasticity and add new functions into the processing pipeline. In the evaluation a sender transmits events over a 100Gbps network to a receiver integrated with DAOS to store the reassembled events using DAOS APIs. We evaluate the system for possible bottlenecks and provide end-to-end evaluation with a burst buffer using DAOS storage abstractions. We show that a receiver node can support 38.1 Gbps. This proves the viability of our approach and allows us to extend this work to investigate scale-out properties and new streaming optimizations.

Mei, Xinxin↗
DOE OSTI2018

Investigating Sintering Mechanisms for Additive Manufacturing of Conductive Traces

Additive Manufacturing (AM) processes enable the fabrication of miniaturized and flexible devices on complex geometries. This paper explores a hybrid additive manufacturing technology that integrates micro-extrusion and PICO-jetting methods. Conductive slurries and colloidal inks were optimized for their rheological properties to aid their precise deposition. A variety of conductive materials which include carbon, silver, nano-particle silver and nickel were deposited on both rigid (glass) and flexible (Kapton) substrates. The deposited traces were cured using two sintering mechanisms which include furnace heating and in situ laser irradiation. The effect of curing mechanism on the conductance of deposited traces was evaluated. The results indicated that traces could be cured successfully with the laser curing mechanism. Nickel and silver laser cured traces had lower resistivity than the furnace sintered traces. An increase in the laser power resulted in lower resistivity of the traces. The lowest resistivity was achieved at 40W laser power with a single laser pass. Scanning electron microscopy and energy dispersive spectroscopy were used to characterize the trace morphology and elemental compositions. Higher power laser curing resulted in better bonding of the particles. Laser cured samples had minimal oxidation to the cross-section region of the traces as compared to furnace cured samples. Furthermore, this research lays the foundation for the fabrication of electronic components for a high level of freeform 3D electronics using a hybrid additive manufacturing technology.

42 ENGINEERING↗
DOE OSTI2019

Compositions and methods for the delivery of oxygen

H--NOX proteins are mutated to exhibit improved or optimal kinetic and thermodynamic properties for blood gas O.sub.2 delivery. The engineered H--NOX proteins comprise mutations that impart altered O.sub.2 or NO ligand-binding relative to the corresponding wild-type H--NOX domain, and are operative as physiologically compatible mammalian blood O.sub.2 gas carriers. The invention also provides pharmaceutical compositions, kits, and methods that use wild-type or mutant H--NOX proteins for the treatment of any condition for which delivery of O.sub.2 is beneficial.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Stochastic Thermo-Hydro Modeling and Neural Network Surrogate Development for Thermal Resource Assessment of the Galleries-to-Calories Geobattery

The Galleries-to-Calories Geobattery concept explores the use of abandoned coal mine workings for large-scale thermal energy transport and storage. The system involves injecting waste heat from a supercomputing facility into flooded mine galleries, where groundwater flow can store and transport thermal energy for potential recovery in downgradient district heating and cooling applications. To evaluate the feasibility and performance of the Geobattery under geological and operational uncertainty, we developed a suite of stochastic thermo-hydrological (TH) simulations using Monte Carlo sampling of key uncertain parameters (e.g., permeability, porosity, thermal conductivity, specific heat capacity) and operating conditions (e.g., injection rate, injection temperature). Results identified injection rate and temperature as the most influential parameters governing thermal front propagation, while the geometry of the room-and-pillar structure played a critical role in directing the extent and orientation of thermal advancement. Optimal combinations of material properties for maximizing heat recovery were also determined. To address the high computational cost of coupled-process stochastic modeling, we trained a neural network surrogate model on 24,000 physics-based realizations, achieving an R² > 0.99 and MAE < 0.1 for temperature predictions at monitoring locations. This surrogate enabled an additional 100,000 realizations for global sensitivity analysis and probabilistic thermal resource assessment. The integrated stochastic physics–surrogate modeling framework offers a computationally efficient tool for quantifying uncertainty, identifying key drivers, and informing early-stage design decisions for Geobattery systems.

15 - GEOTHERMAL ENERGY↗
DOE OSTI2026

In-Band Scattering and Absorption of Infrared Blocking Foam Filters for Millimeter-wave Cameras

Expanded closed-cell polymer foams are widely used as thermal infrared (IR) blocking filters in millimeter-wave cameras, particularly for Cosmic Microwave Background observations. Precise knowledge of their millimeter-wave properties is essential for optimizing sensitivity. We present broadband (150 GHz - 2 THz) transmittance spectroscopy of Styroace-II and several Zotefoam filters, fitting their spectra with a radiative transfer model incorporating dielectric absorption and Rayleigh, Mie, and higher-order scattering. For a typical 5~cm thick filter stack at 280~GHz, Styroace-II exhibits ${\sim}10\%$ scattering with absorption estimated as ${\lesssim}5\%$ by effective-medium theory, while Zotefoam HD30 offers superior performance at ${\sim}3\%$ scattering and absorption likewise bounded to ${{\lesssim}0.3\%}$. Each model component is constrained at the ${\sim}0.1\%$ transmittance level for millimeter wavelengths. We observe batch-to-batch scattering variability of up to 2 percentage points in foams with multiple tested batches. Less commonly used Zotefoam formulations (LD15 and LD24) can further reduce in-band scattering to ${<}1\%$ while maintaining negligible in-band absorption and likely comparable IR blocking due to shared polyethylene absorption features and similar cell sizes. Based on this work, a filter constructed from the best measured LD24 batch has replaced the Styroace-II filter in a Simons Observatory 220/280 GHz Small Aperture Telescope.

Thomas, Alex [Chicago U., Astron. Astrophys. Ctr.;↗