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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 595 records · Page 33

OECD-NEA HTTF Benchmark Progress and Updates

General slides discussing High Temperature Test Facility benchmark progress, Prismatic HTGR deployment, modeling and simulation tools for validating systems, and verification and validation issues. Also discuss collaboration and conclusions of RELAP5-3D validation activities based on HTTF with trends in data and international impact to accelerate deployment of prismatic HTGR microreactors by providing an opportunity for designers to assess their codes against experimental data and solutions from other codes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Automated Direct Perturbation Calculations with SCALE TSUNAMI [Abstract]

In nuclear criticality safety analysis, the sensitivity of the eigenvalue keff to uncertainties in nuclear data and its evaluation are crucial. The TSUNAMI sequences within the SCALE code system offer users various options with both multigroup (MG) and continuous-energy (CE) 3D Monte Carlo (MC) transport capabilities for calculating keff sensitivity coefficients and storing them in a sensitivity data file (SDF). Each methodology available in TSUNAMI offers distinct advantages and limitations, and its effectiveness can vary based on the specific problem being solved. As a best practice, practitioners typically use the direct perturbation (DP) method as a confirmatory step alongside their sensitivity calculations to verify the accuracy of the sensitivity data generated. In this process, DP calculations are usually performed on select nuclides, those considered most important for validating their total sensitivities. However, because of code limitations, analysts use a workaround method when conducting DP calculations for a single nuclide: rather than perturbing the nuclide's microscopic cross section, an equivalent number density for this nuclide is calculated to reflect the effect of a change in the macroscopic cross section due to a perturbation in the microscopic cross section. The current approach requires rerunning the CSAS criticality calculation several times with model changes. Although this method can yield results with acceptable accuracy, it is labor-intensive and prone to errors.

AZURE: SAMMY↗

Non-Destructive, Three-Dimensional Imaging of Processes in the Rhizosphere Utilizing High Energy Photons

Soil structure, which can be described as the aggregation and distribution of pore spaces, regulates carbon, nutrient, and water cycling across the Earth system. Yet the inability to make quantitative, dynamic, in situ measurements of soil structure and rhizosphere carbon flow has prevented meaningful incorporation of soil structural processes into Earth System Models (ESMs). The key limitations are: (i) Lack of scale integration between micron-scale soil structure and ecosystem-scale models, (ii) Poor functional linkage between soil structural properties and biogeochemical processes, and (iii) Absence of dynamic 3D measurements of rhizosphere structural changes and carbon transformations. To address these challenges, we developed a new integrated positron emission tomography (PET) - microcomputed tomography (CT) imaging platform that enables the first 4D (spatial 3D and time), non-invasive, quantitative imaging of carbon allocation and rhizosphere structural dynamics in living plants and intact soils. The system combines: • Rhizo-PET (R-PET): a high-resolution positron emission tomography scanner optimized for 11 CO 2 tracing in plant roots. • a-Se micro-CT: a high-contrast, high-spatial resolution CT system based on amorphous selenium (a-Se) direct conversion technology, enabling micron-scale visualization of soil structure and root–soil interfaces. Together, these advances allow us to quantify how carbon exudates move, transform, and stabilize within the rhizosphere, directly informing missing processes in BER-relevant carbon cycle models.

42 ENGINEERING↗

3D printing of metal-based materials for renewable energy applications

Large-scale renewable energy must overcome conversion and storage challenges before it can replace fossil fuels due to its intermittent nature. However, current sustainable energy devices still suffer from high cost, low efficiency, and poor service life problems. Recently, porous metal-based materials have been widely used as desirable cross-functional platforms for electrochemical and photochemical energy systems for their unique electrical conductivity, catalytic activity, and chemical stability. To tailor the porosity length scale, ordering, and compositions, 3D printing has been applied as a disruptive manufacturing revolution to create complex architected components by directly joining sequential layers into designed structures. In conclusion, this article intends to summarize cutting-edge advances of metal-based materials for renewable energy devices (e.g., fuel cells, solar cells, supercapacitors, and batteries) over the past decade.

36 MATERIALS SCIENCE↗

On single-crystal total scattering data reduction and correction protocols for analysis in direct space

Data reduction and correction steps and processed data reproducibility in the emerging single-crystal total-scattering-based technique of three-dimensional differential atomic pair distribution function (3D-ΔPDF) analysis are explored. All steps from sample measurement to data processing are outlined using a crystal of CuIr 2 S 4 as an example, studied in a setup equipped with a high-energy X-ray beam and a flat-panel area detector. Computational overhead as pertains to data sampling and the associated data-processing steps is also discussed. Various aspects of the final 3D-ΔPDF reproducibility are explicitly tested by varying the data-processing order and included steps, and by carrying out a crystal-to-crystal data comparison. Situations in which the 3D-ΔPDF is robust are identified, and caution against a few particular cases which can lead to inconsistent 3D-ΔPDFs is noted. Although not all the approaches applied herein will be valid across all systems, and a more in-depth analysis of some of the effects of the data-processing steps may still needed, the methods collected herein represent the start of a more systematic discussion about data processing and corrections in this field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

3D oxygen vacancy distribution and defect-property relations in an oxide heterostructure

Oxide heterostructures exhibit a vast variety of unique physical properties. Examples are unconventional superconductivity in layered nickelates and topological polar order in (PbTiO 3 ) n /(SrTiO 3 ) n superlattices. Although it is clear that variations in oxygen content are crucial for the electronic correlation phenomena in oxides, it remains a major challenge to quantify their impact. Here, we measure the chemical composition in multiferroic (LuFeO 3 ) 9 /(LuFe 2 O 4 ) 1 superlattices, mapping correlations between the distribution of oxygen vacancies and the electric and magnetic properties. Using atom probe tomography, we observe oxygen vacancies arranging in a layered three-dimensional structure with a local density on the order of 10 14 cm -2 , congruent with the formula-unit-thick ferrimagnetic LuFe 2 O 4 layers. The vacancy order is promoted by the locally reduced formation energy and plays a key role in stabilizing the ferroelectric domains and ferrimagnetism in the LuFeO 3 and LuFe 2 O 4 layers, respectively. The results demonstrate pronounced interactions between oxygen vacancies and the multiferroic order in this system and establish an approach for quantifying the oxygen defects with atomic-scale precision in 3D, giving new opportunities for deterministic defect-enabled property control in oxide heterostructures.

36 MATERIALS SCIENCE↗

4D Proxy Imaging of Fracture Dilation and Stress Shadowing Using Electrical Resistivity Tomography During High Pressure Injections into a Dense Rock Formation

Fluid flow through fractured rock systems is governed in large part by the distribution, interconnectivity, and size of fracture apertures. In-situ stress is one of the primary factors controlling fracture aperture, and one that is altered significantly during high-pressure fluid injections or extractions. Interactions between stress, pore pressure, aperture, and fluid flow can result in complex and evolving poroelastic behavior with significant implications regarding the predictability and risk of developing and managing deep subsurface reservoirs (geothermal, fossil energy, and geologic carbon sequestration). In saturated crystalline rocks, bulk electrical conductivity is highly sensitive to porosity, and therefore to fracture aperture size and distribution. We demonstrate the use of time-lapse 3D electrical resistivity tomography for remotely monitoring stress induced changes in aperture distribution during high pressure injections into a fractured rock system at a scale of tens of meters. Results reveal a complex and continuously evolving stress field involving aperture dilations in the natural fracture system and aperture contractions in adjacent zones of shadow stress. Results provide information about the spatiotemporal changes in the system behavior and point to the potential of electrical imaging for autonomously and remotely monitoring evolving stress conditions by proxy through changes in bulk electrical conductivity.

electrical resisitivity tomography, stress, 4D Tim↗

Optimization and Commercialization of the Juvenile Eel/Lamprey Acoustic Transmitter and Micro-battery (CRADA 477)

Through collaboration with partners under this CRADA, we continued to optimize the Eel/Lamprey Acoustic Transmitter (ELAT) of the Juvenile Salmon Acoustic Telemetry System (JSATS) to enhance its capability to track sensitive species and early life stages of fish with 3D and sub-meter accuracy. The transmitter firmware was improved to offer new functionalities, and the circuit design was revised to provide significantly more accurate frequency transmission. The transmitter's transducer was replaced with a shorter, more energy-efficient model. Additionally, the manufacturing processes for the transmitter and the microbattery used in it were improved. The outcomes of this work help advance understanding of migration timing and behaviors, habitat use, and survival rates of these species, supporting more informed management decisions for new and existing hydroelectric facilities and better designs for new hydropower systems that minimize or avoid environmental impacts.

13 HYDRO ENERGY↗

Reconfigurable plasma-dielectric hybrid photonic crystal as a platform for electromagnetic wave manipulation and computing

The introduction of 3D printing has enabled fabrication of photonic crystal devices with complex crystal structures that would be challenging to construct using other fabrication methods. In this paper, we construct and characterize a photonic crystal consisting of two 4 x 8 x 8 cubic lattices composed of spherical silicon nitride elements straddling a layer of 8 plasma discharge tubes, creating a 3D hybrid plasma photonic crystal device. Integrating under-dense gaseous plasma elements provides a unique coupling dynamic between the dielectric spheres and the cylindrical plasma discharges, creating a monolithic hybrid photonic crystal with solid state and reconfigurable elements. The device has resonant modes that have attenuation peaks that are either switchable, tunable in amplitude, or tunable in frequency with variations in plasma density. The response of these bands seen with varying plasma density is confirmed through simulations when effects due to the heating of the photonic crystal from the gaseous plasma elements are accounted for in the experiments. We discuss how this reconfigurable device may be used and expanded upon for applications in photonic artificial neural networks and optical computing systems.

3D printing↗

Integration of Dynamical System Scaling to RAVEN and Facility Application

As part of the design optimization and model validation effort within the hybrid energy systems program, the research to implement dynamical system scaling (DSS) code to RAVEN is funded under the Integrated Energy System program in collaboration with the Digital Reactor Technology & Development department. The DSS data processing algorithm has been coded within the RAVEN framework along with other metrics and postprocessing models. The implemented code was tested using a gravity-driven draining tank draining case modeled in RELAP5-3D and generated data was successfully postprocessed based on the scaling analyses defined by DSS. Postprocessed data concluded less agreement for the tank exit velocity and indicated that the modeled input deck for RELAP5-3D requires modification to enforce minimal pressure differential effects to the draining process.

97 MATHEMATICS AND COMPUTING↗

Structural stability, elemental ordering, and transport properties of layered ScTaN 2

Ternary transition metal (TM) nitrides have gained significant attention in thin film research due to their promising properties for a broad range of applications. Particularly, some of the ternary TM nitrides have been predicted to adopt layered structures that make them interesting for thermoelectric conversion and quantum materials applications. Unfortunately, synthesis of TM ternary nitride films by physical vapor deposition often favors disordered 3D structures rather than the predicted 2D-like layered structure. In this study, we investigate the structural interplay in the Sc-Ta-N ternary system using a combinatorial approach. Combinatorial libraries S⁢c 𝑥 ⁢T⁢a 1−𝑥 ⁢N are synthesized following a two-step method: First, deposit film precursors by cosputtering and then process the resulting 3D-structured samples with rapid thermal annealing. Synchrotron grazing-incidence wide-angle x-ray scattering on films annealed at 1200 ⁢°⁢C for 20 min leads to the nucleation of ScTaN 2 layered structure (𝑃⁢6 3 /𝑚⁢𝑚⁢𝑐) near stoichiometry. We find that the layered structure can accommodate large off-stoichiometry in the Ta-rich region (𝑥 < 0.5), facilitated by the alloying with quasi-isostructural Ta 5 ⁢N 6 compound that exists on a composition tie line at 𝑥 = 0. While focusing on ScTaN 2 , we estimate the long-range order parameter in near-stoichiometric films to be 0.86, corresponding to a fraction of Sc/Ta antisites of 7%. Transport measurements on ScTaN 2 reveal a nearly temperature-independent high carrier density (10 21 c⁢m −3 ), suggesting a heavily doped semiconductor or semimetallic character, consistent with a small positive Seebeck coefficient of +19 µV/K. The carrier mobility at 2 K is relatively small (9.5c⁢m 2 V −1 s −1 ) and the residual-resistivity ratio is minor, suggesting that electrical conduction is dominated by defects or disorder. Measured magnetoresistance suggests possible weak antilocalization at 2 K. This paper highlights the interplay between ScTaN 2 and Ta 5 ⁢N 6 crystal structures in stabilizing layered materials, emphasizes the importance of cation order/disorder for potential tunable alloys, and suggests that ScTaN 2 is a promising platform for exploring electronic properties.

36 MATERIALS SCIENCE↗

Multitiered computational methodology for extracting three-dimensional rotational diffusion coefficients from x-ray photon correlation spectroscopy data without structural information

X-ray photon correlation spectroscopy (XPCS) is a powerful technique for analyzing particle systems by investigating their dynamics in suspensions across a broad range of temporal and spatial scales. This is done by illuminating samples with coherent x-ray beams and calculating the correlation function of the obtained x-ray scattering images. XPCS is uniquely suited for studying Brownian dynamics, consisting of translational and rotational diffusion. While traditional XPCS image analysis techniques can extract translational diffusion components, they are unable to estimate rotational diffusion coefficients. Here, we introduce a methodology that combines the angular-temporal cross-correlation analysis and a algorithmic framework called Multi-Tiered Estimation for Correlation Spectroscopy in 3D for estimating three-dimensional rotational diffusion coefficients from XPCS images of three-dimensional particle systems. We demonstrate our methodology for extracting rotational diffusion coefficients from XPCS data by applying it to simulated noisy x-ray images of systems of crossing nanotubes and proteins that evolve under translational and rotational Brownian motion for different diffusion rates. Furthermore, our results show that our approach determines rotational diffusion coefficients within a few percent error.

97 MATHEMATICS AND COMPUTING↗

Characterization of Uranium Foil Irradiations at the WSU TRIGA Reactor Using a New Reactor Model in Scale

A new reactor model of the Washington State University TRIGA was developed in the SCALE neutron transport code, and its fidelity was verified by comparison to MCNP and available data for several reactor parameters. The model was used to characterize irradiations designed to produce the short-lived actinides 237 U and 239 U, two key isotopes for nuclear forensics. These short-lived actinides, their decay daughters 237Np and 239Pu, and total fissions (via 99 Mo) were measured in irradiated foils at Los Alamos National Laboratory and other labs with good agreement among parent/daughter pairs and among labs. The laboratory-measured isotope ratios were used as a benchmark for the model determination of reaction rates. The flux distribution in the foils was also determined. Finally, using the continuous energy TSUNAMI-3D module of SCALE, a sensitivity/uncertainty analysis was performed to determine the effects on foil reactions caused by other system-wide reactions and by uncertainties in the known cross-sections.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A Computational Framework to design 3D stiffness gradient acoustic metamaterials for impedance matching

Acoustic waves play a crucial role in various applications, including medical imaging, non-destructive testing, and sonar systems. One of the significant challenges in these applications is impedance matching, which is essential for minimizing reflections and maximizing the transfer of acoustic energy between different media. Acoustic metamaterials offer a promising solution to this challenge. In addition to impedance control, gradient stiffness can enhance structural efficiency and enable spatial control of wave propagation, making it a valuable feature in acoustic metamaterial design. In this pa- per, we present our developed computational method to design 3D stiffness gradient acoustic metamaterials for impedance matching. The key steps in our approach include generating initial designs using a periodic covariance function to provide unit cells that are both periodic on the boundaries and randomly formed inside the unit cell. Furthermore, we integrated manufacturing constraints into the design process, ensuring that the structures are interconnected for fabrication. We propose two computational optimization algorithms: GenUnit, based on a non-dominated sorting genetic algorithm (NSGA-II), and MLMatch, which leverages differentiable machine learning. The two approaches are not separate contributions but complementary com- ponents of a unified framework. GenUnit requires no training data and directly interfaces with physics-based simulations, making it highly accurate but slower for large-scale exploration. In contrast, MLMatch is data-hungry during training but, once trained, enables near-instantaneous inference and broad design-space coverage. Together, they form a hybrid strategy: ML- Match rapidly explores the global design space, and GenUnit provides local refinement with high-fidelity accuracy. This balance between training cost, inference time, and precision is the motivation for including both methods in the same study. We applied this dual-algorithm framework to generate two metallic-based metamaterial designs that match the acoustic impedance of water while exhibiting a controlled gradient in stiffness (from stiff to soft). The stiffness gradient is particularly advantageous in applications where one side of the structure must interface with soft or sensitive surfaces, such as human tissue or delicate components. Here, this work paves the way for improved materials in various acoustic applications, particularly in ultrasound devices, by providing better impedance.

Metamaterial↗

Development of an Improved RELAP5-3D Model for the High Temperature Test Facility

High-temperature gas-cooled reactors (HTGRs) are rapidly approaching deployment. Confidence in transient analysis of these systems for design, optimization, and licensing calculations requires modeling and simulation tools that have been validated against data relevant to HTGR conditions. The High Temperature Test Facility (HTTF) is an integral effects thermal hydraulics test facility for prismatic HTGRs. In spring and summer of 2019, HTTF was used for a series of experiments that now serve as the basis for the OECD/NEA Thermal Hydraulic Code Validation Benchmark for High Temperature Gas-Cooled Reactors using HTTF Data (HTGR T/H Benchmark). This benchmark contains problems for systems code, computational fluid dynamics (CFD), and coupled systems code/CFD modeling representing lower plenum mixing and both the depressurized and pressurized conduction cooldown (DCC and PCC respectively) transients. Benchmark problems include exercises for code-to-code and code-to-data comparisons as well as an exercise for error scaling between HTTF and the Modular High Temperature Gas-Cooled Reactor, which serves as the basis for the HTTF design. Previous analysis as part of the HTGR T/H benchmark used a RELAP5-3D model developed at Idaho National Laboratory (INL) and demonstrated an ability to reproduce trends in the measured data but difficulties reproducing experimental values within their uncertainty. These difficulties were largely attributed to assumptions made during the development of the initial RELAP5-3D model, which predated the HTTF experiments. A significant cause of difficulty reproducing the measured temperatures may be the radial nodalization of the previous RELAP5-3D model. The new model provides a finer nodalization to assess the impact of radial nodalization and allows for asymmetric heating within the core, which was a feature of multiple HTTF experiments. In this paper, we present the new RELAP5-3D model of HTTF. In addition to describing the new model, this paper compares the new and old models and provides results for a full-power steady state, a DCC, and a PCC in HTTF. These analyses are based on the code-to-code comparison exercises for the DCC and PCC problems of the HTGR T/H benchmark. We present the results of these exercises from the new model and compare them to the results of the old model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Frequency-domain hot-wire sensor and 3D model for thermal conductivity measurements of reactive and corrosive materials at high temperatures

High temperature solids and liquids are becoming increasingly important in next-generation energy and manufacturing systems that seek higher efficiencies and lower emissions. Accurate measurements of thermal conductivity at high temperatures are required for the modeling and design of these systems, but commonly employed time-domain measurements can have errors from convection, corrosion, and ambient temperature fluctuations. Here, we describe the development of a frequency-domain hot-wire technique capable of accurately measuring the thermal conductivity of solid and molten compounds from room temperature up to 800 °C. Therefore, by operating in the frequency-domain, we can lock into the harmonic thermal response of the material and reject the influence of ambient temperature fluctuations, and we can keep the probed volume below 1 µl to minimize convection. The design of the microfabricated hot-wire sensor, electrical systems, and insulating wire coating to protect against corrosion is covered in detail. Furthermore, we discuss the development of a full three-dimensional multilayer thermal model that accounts for both radial conduction into the sample and axial conduction along the wire and the effect of wire coatings. The 3D, multilayer model facilitates the measurement of small sample volumes important for material development. A sensitivity analysis and an error propagation calculation of the frequency-domain thermal model are performed to demonstrate what factors are most important for thermal conductivity measurements. Finally, we show thermal conductivity measurements including model data fitting on gas (argon), solid (sulfur), and molten substances over a range of temperatures.

47 OTHER INSTRUMENTATION↗

Systems and methods for additive manufacturing to encapsulate transformative colloidal suspensions

The present disclosure relates to an energy absorbing three dimensional (3D) structure. The structure may have an outer shell formed from a shell material. The outer shell may have a void forming a core volume. A transformative feedstock is contained in the void. The transformative feedstock is encapsulated within the outer shell, within the void, and provides enhanced energy absorbing properties to the 3D structure.

Mancini, Julie A.↗

Magnetic Energy Conversion in Magnetohydrodynamics: Curvature Relaxation and Perpendicular Expansion of Magnetic Fields

Abstract The mechanisms and pathways of magnetic energy conversion are an important subject for many laboratory, space, and astrophysical systems. Here, we present a perspective on magnetic energy conversion in magnetohydrodynamics through magnetic field curvature relaxation (CR) and perpendicular expansion (PE) due to magnetic pressure gradients, and quantify their relative importance in two representative cases, namely 3D magnetic reconnection and 3D kink-driven instability in an astrophysical jet. We find that the CR and PE processes have different temporal and spatial evolutions in these systems. The relative importance of the two processes tends to reverse as the system enters the nonlinear stage from the instability growth stage. Overall, the two processes make comparable contributions to magnetic energy conversion, with the PE process somewhat stronger than the CR process. We further explore how these energy conversion terms can be related to particle energization in these systems.

79 ASTRONOMY AND ASTROPHYSICS↗