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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 91 records · Page 5

New procedure for evaluation of U(3) coupling and recoupling coefficients

A simple method to calculate Wigner coupling coefficients and Racah recoupling coefficients for U(3) in two group–subgroup chains is presented. While the canonical U(3) coupling and recoupling coefficients are applicable to any system that respects U(3) symmetry, the U(3) coupling coefficients are more specific to nuclear structure studies. This new procedure precludes the use of binomial coefficients and alternating sums which were used in the 1973 formulation of Draayer and Akiyama, and in so doing provides a faster and more accurate determination of any and all required results. The resolution of the outer multiplicity is based on the null space concept of the U(3) generators proposed by Alex et al., whereas the inner multiplicity in the angular momentum subgroup chain is obtained from the dimension of the null space of the SO(3) raising operator. It is anticipated that a C++ library will ultimately be available for determining generic coupling and recoupling coefficients associated with both the canonical and the physical group–subgroup chains of U(3).

Cross-Coupling Reaction↗

Physics-informed Deep Reinforcement Learning-based Control in Power systems

Incorporating physics information into the deep reinforcement learning (DRL) process is a promising approach for addressing the challenges faced in learning-based control design problems for physical systems. Power grid dynamics, being a physical system, adheres to specific physical laws, constraints, as well as operational and control rules. Therefore, consideration of such physics-based law improves the learning process drastically. In general, traditional grid control schemes rely on rule-based mechanisms that cannot adapt to changing operating conditions. To improve the adaptability and computation time, recent research has seen a surge of DRL-based applications in power grid control. A generic DRL-based control design imposes the system performance requirements through the design of reward functions. In some cases, some of the important physics information is injected through this reward function. However, due to the complex dynamics and large state-action space, learning an optimal DRL policy often becomes challenging. Inspired by the latest developments in general machine learning (ML) research, power system researchers have been investigating more direct ways of incorporating physics knowledge into DRL training. This chapter specifically focuses on these aspects of physics-informed DRL designs in grid control. It discusses the significance, applications, research gaps, and open problems that need to be addressed in future research.

artificial intelligence, machine learning↗

Cyote Insights

CyOTE Insights leverages React, Vite, Typescript, Tailwind, and Daisy UI for the Graphical User Interface. It was designed in a particular style with a dark mode and a light mode. All code is broken down into components and reusable wrapper components for efficiency. All data is stored in Deep Lynx as a central data repository using an ontology based schema. The application serves as a main endpoint for the data in the COREII and CyOTE programs. The main purpose of the application is to display historical attack data in the Operational Technology space. At the time of this writing, it supports 27 historical attack reports compiled from OSINT sources. All of the data is publicly available, but what this application offers is the ability to see many years worth of publications in a detailed dashboard. It will also support future reports that are written using the other applications in the COREII program.

Pluth, AdamJ [Idaho National Laboratory (INL), Ida↗

Closure and transport theory for plasmas with multiple ion species

This report summarizes a DOE-funded research project on closure and transport theory for plasmas with multiple ion species. The work developed accurate moment-based closure models across the full range of collisionality, incorporating both kinetic and collisional effects. Key contributions include high-fidelity closure relations, multi-temperature models, and transport coefficients applicable to fusion, space, and astrophysical plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Non-traditional stable isotope measurements using laser desorption Orbitrap mass spectrometry: Implications for planetary missions.

Isotopic fractionation recorded in planetary materials provides insights into physical, chemical, and/or potential biological processes occurring on Solar System bodies. As we enter into the next decades of planetary exploration, the crucial information revealed by isotopic compositions of rocky and icy samples mandates that next generation spaceflight instrumentation possess the capability to measure isotope ratios in situ with sufficient precision/accuracy to distinguish between such processes. Here, in addition to identifying and fingerprinting complex organic materials with high accuracy and ultrahigh mass resolutions, laser desorption Orbitrap™ mass spectrometry (LD-O-MS) has the capability to determine the elemental and isotopic composition of solid planetary materials such as rock, regolith, organics, ice, etc. Here, we use a space-qualified LD-O-MS instrument comprising a 266 nm ultraviolet (UV) laser and Orbitrap mass analyzer ruggedized for planetary applications to investigate the stable isotopic composition of Ti and Zn metal plates. Based on the isotopic analyses, we constrain the performance of the CORALS instrument to sub per mille (‰) level accuracy and precision for Ti and at the per mille (‰) level for Zn. An LD-O-MS instrument is a versatile instrument capable of measuring isotopic composition of a variety of planetary samples and would constitute a critical instrument in the exploration of various planetary bodies including but not limited to Moon, Mars, Enceladus and other ocean or icy worlds, Ceres and other asteroids, and comets, thereby answering several high-priority questions pertaining to the formation and evolution of our Solar System.

58 GEOSCIENCES↗

Microstructural heterogeneities in additively manufactured refractory alloy C103 and their implications for room and elevated temperature mechanical behavior

Considering the vast component design space enabled by fusion-based additive manufacturing (F-BAM) processes, e.g., directed energy deposition (DED), the scale-up manufacturing of Nb-alloys with F-BAM is advantageous for structural applications. However, varying thermokinetic parameters-induced microstructural heterogeneities are prevalent within the F-BAM processed alloys. Such microstructural heterogeneities can have significant implications for the room and elevated temperature mechanical behavior. While a few studies investigating F-BAM processed alloy C103 are available, none of these studies investigate the microstructural heterogeneities – including those associated with solidification growth modes and second phase particles – and the effect thereof on the mechanical behavior. To this end, we investigate the microstructurally heterogeneous regions with varying solidification growth morphologies, segregation behavior, and second phase particle attributes within the laser-DED processed alloy C103. The implications of such heterogeneous regions for room- and elevated-temperature tensile behavior and damage mechanisms are revealed. Particularly, the interface between the cellular and planar region is identified as susceptible to deformation localization. The implications of hot isostatic pressing (HIP) for the consolidation behavior, microstructural evolution, and resulting mechanical behavior are also discussed. Although the recrystallization and grain growth led to a reduced yield strength in the HIPed condition, the homogenization of microstructure alleviated the deformation localization sites, such as the planar/cellular interface within the melt pool. The homogenized microstructure alongside the enhanced consolidation upon HIP led to an enhanced elongation to failure. Findings establish microstructural design considerations in F-BAM processed Nb alloys and also facilitate design of post-processing heat treatments for achieving improved mechanical properties.

36 MATERIALS SCIENCE↗

Accelerating Discovery of Solid‐State Thin‐Film Metal Dealloying for 3D Nanoarchitecture Materials Design through Laser Thermal Gradient Treatment

Thin‐film solid‐state metal dealloying (thin‐film SSMD) is a promising method for fabricating nanostructures with controlled morphology and efficiency, offering advantages over conventional bulk materials processing methods for integration into practical applications. Although machine learning (ML) has facilitated the design of dealloying systems, the selection of key thermal treatment parameters for nanostructure formation remains largely unknown and dependent on experimental trial and error. To overcome this challenge, a workflow enabling high‐throughput characterization of thermal treatment parameters is demonstrated using a laser‐based thermal treatment to create temperature gradients on single thin‐film samples of Nb‐Al/Sc and Nb‐Al/Cu. This continuous thermal space enables observation of dealloying transitions and the resulting nanostructures of interest. Through synchrotron X‐ray multimodal and high‐throughput characterization, critical transitions and nanostructures can be rapidly captured and subsequently verified using electron microscopy. The key temperatures driving chemical reactions and morphological evolutions are clearly identified. While the oxidation may influence nanostructure formation during thin‐film treatment, the dealloying process at the dealloying front involves interactions solely between the dealloying elements, highlighting the availability and viability of the selected systems. Further, this approach enables efficient exploration of the dealloying process and validation of ML predictions, thereby accelerating the discovery of thin‐film SSMD systems with targeted nanostructures.

36 MATERIALS SCIENCE↗

Unconventional Spintronics from Chiral Perovskites

Spintronic devices typically employ heterostructures with ferromagnets which break time-reversal symmetry and have non-vanishing magnetization. With the growing class of materials that support spin-polarized carriers, current, and excitations, it is possible to envision emerging spintronic applications that are not limited to magnetoresistance. Here, chiral perovskites with no net magnetization are considered, where the space-inversion and mirror symmetries are broken to induce chiral structure. The known importance of these perovskites is further expanded by the demonstration of the chiral-induced spin selectivity (CISS). However, the generation of the spin-polarized carriers across the interface with these chiral perovskites remains to be fully understood. These first-principles studies for 2D PbBr4-based chiral perovskites provide their electronic structure and an orbital-based symmetry analysis, which allows to establish an effective Hamiltonian to elucidate the underlying origin of their chirality. The same analysis is used for the Edelstein effect, responsible for electrical generation of the nonequilibrium spin polarization in many materials, which in chiral perovskites can be a mechanism contributing to CISS. Furthermore, by examining optical properties of chiral perovskites and the opportunity to use them to realize tunable altermagnets, another class of zero-magnetization spintronic materials, a versatile materials platform is put forth for unconventional spintronics.

14 SOLAR ENERGY↗

Measurement of Photons Emitted by High-Energy Charged Particles as Background in Single-Photon Resolving Image Sensors

This work introduces an advanced technique optimized for detecting photons generated by charged particles, leveraging Skipper charge coupled device (Skipper-CCD) image sensors. By analyzing background sources and detection efficiencies, the technique achieves strong agreement between experimental results and Cherenkov-based simulations. It also provides a robust framework for investigating secondary photon production in environments with high fluxes of ionizing particles, such as those anticipated in space-based astronomical instruments. These secondary photons present a critical challenge as background noise for next-generation single-photon resolving imagers used to study faint celestial objects. Furthermore, the method exhibits significant potential for broader applications, including exploring photon generation in various substrate materials and examining their transport through multiple interfaces.

Fernandez Moroni, Guillermo [Fermilab; Chicago U.,↗

Tailoring spectral properties for entangled photon generation

The linear intensity scaling of entangled two-photon absorption (ETPA) offers a fundamental mechanism to enable nonlinear optical spectroscopy and microscopy under a substantially lower excitation power than is currently feasible. However, the long data acquisition time and low signal-to-noise ratio in reported ETPA-based spectroscopic and microscopic studies prevent its widespread application. To gain the full potential of this novel quantum light approach, it is essential to optimize entangled photon generation for significantly enhanced ETPA responses. Here, we report a new quantum light source by combining entangled photon generation with free-space femtosecond pump-pulse shaping. Here, through measurements of singles and coincidence counts by varying the patterns applied to a spatial light modulator to control the spectral widths of the pump pulses, we reveal strong dependence of the singles and coincidence count rates as well as their ratios on the spectral widths of pump pulses. An optimal spectral width for the highest ratios between the coincidence photon and the signal or idler photon count rates is also determined. Identification of such optimal spectral widths for entangled photon generation in the presence of postgeneration spectral selection makes this quantum light source a promising choice for ETPA-based spectroscopy and imaging.

Photon pairs & parametric down-conversion↗

Block segmentation in feature space for realtime object detection in high granularity images

Computer vision has applications in object detection, image recognition and classification, and object tracking. One of the challenges of computer vision is the presence of useful information at multiple distance scales. Filtering techniques may sacrifice details at small scales in order to prioritize the analysis of large-scale features of the image. We present a strategy for coarse-graining multidimensional data while maintaining fine-grained detail for subsequent analysis. The algorithm is based on fixed-size block segmentation in the feature space. We apply this strategy to solve the long-standing challenge of detecting particle trajectories at the Large Hadron Collider in real time.

Computer vision↗

Discoveries in Blast-Driven Turbulence of Astrophysical Relevance

The fluid mixing caused by variable-density instabilities is important in a wide variety of scenarios from ocean mixing and astrophysical phenomena to nuclear fusion techniques and atomic weapons. This thesis explores the mixing resulting from a specific instability known as the Blast Driven Instability (BDI). This work investigates the variable density mixing in an explosively driven environment due to the fluid instabilities at the material interfaces. Specifically, diverging Richtmyer-Meshkov (impulsive-acceleration environment) and Rayleigh-Taylor (variable-acceleration environment) instabilities (present in supernova and inertial confinement fusion) are studied using advanced high-speed diagnostics in carefully designed laboratory experiments. The BDI morphology is presented through a time development of Mie scattering images, and steps through the parameter space (varying density ratio and driver speed), highlighting the development of the structures that form during mixing. A scaling criterion is used to relate the two systems of vastly different spatiotemporal scales. Velocity fields in the BDI have been captured for the first time using the high temporal resolution PIV technique. Subsequent analysis of the dynamics of the instability from the velocity fields illustrates the distribution of kinetic energy, the transition to turbulence, and the characteristic growth of the instability are discussed. This study furthers understanding of how blast-driven instability pertains to supernova and inertial confinement fusion science. The morphology of the BDI has been characterized for the first time. This work steps through the parameter space covered in Mie scattering experiments, and how the different parameters contribute to development of structures and mixing. It also examines a scaling of the Atwood number for expanding predictive capabilities to other experimental conditions and simulations. The first collection of velocity fields acquired for the BDI are recorded, and subsequent analysis evaluating the distribution of kinetic energy throughout space and time for two density ratios from the overall parameter space, as well as the transition to turbulence, estimated from a Reynolds number calculated based on momentum mixing are all presented. This information is useful in advancing the development of models to predict physics of high energy density applications where experiments are not always readily available. This research has successfully demonstrated understanding for the time criteria defining regimes where the shock driven (Richtmyer-Meshkov instability) and the buoyancy driven (Rayleigh-Taylor instability) dominates through a parametric study of density variation (Atwood number) and driver speed (Mach number). All this furthers understanding of how the BDI pertains to SN and ICF.

79 ASTRONOMY AND ASTROPHYSICS↗

Assessing thermal comfort and participation in residential demand flexibility programs

Residential space-conditioning-based demand flexibility (DF) has become an increasingly sought-after method for demand-side load management to enhance grid reliability and facilitate integration of renewable energy generation. However, predicting the effectiveness and flexibility of residential DF resources is challenging due to the variability in household energy use behaviors. Current estimates show that only 50 % of projected savings from DF resources are actualized due to regulatory, technological, and social barriers. From a household perspective, concerns over thermal comfort during space conditioning-based DF events significantly impact participation decisions. Currently, there is a very limited understanding of how thermal comfort during space-conditioning-based DF events in real-world settings impacts household energy use behaviors and, consequently, the success of DF programs in achieving targeted savings. This paper proposes a method to comprehensively assess the thermal comfort implications of DF strategies and presents results of their impacts on DF event participation decisions and demand savings. Here, the proposed method was applied to a heat pump DF field study in Cordova, Alaska. The study’s key findings are: 1) DF event setpoint offsets that maintain indoor operative temperatures between 18 to 22 °C (65 to 71°F) may be preferred in Cordova, Alaska; 2) Household-level thermal comfort is more sensitive to the duration of the DF event than to the degree of temperature offset from baseline conditions; 3) The delayed impact of changes in indoor operative temperature in response to setpoint offsets, both during and after a DF event, influences occupants’ thermal comfort perceptions and willingness to persistently participate in events. The findings from application of the proposed method can help inform future larger-scale occupant-centric DF programs as it can capture information not readily available through utility and device-level energy use data. Thus, it can supplement these sources and help program administrators develop occupant-centric DF strategies, enabling more accurate predictions of participation rates and savings estimates for space-conditioning-based DF programs.

Demand side management↗

1.1 eV GaInAs Cell Development for Dual-Use Solar and 1070 nm Laser Power Converters

Dual-use photovoltaic cells can receive solar and laser power simultaneously to generate current, an application relevant to space and terrestrial industries. This study investigates two concepts of solar cells optimized for dual-use 1070 nm laser and solar power conversion, a single-junction and triple-junction cell. The cell designs are based upon the 3- junction inverted metamorphic solar cell, previously shown highly efficient for solar conversion. Because it is closely bandgap-tuned for a 1070 nm laser, the 1 eV bottom junction is incorporated into each of the two designs, making its development key to the success of both concepts. However, each design requires some modification for efficient dual use. The single-junction device requires optimization to reduce short wavelength absorption of the broad solar spectrum. In both devices, the graded buffer layers in the GaInAs cell affect the cell's performance by reducing threading dislocations in the active junction. However, the buffer in the three-junction device also acts as a lateral transport layer and so affects the fill factor depending on its sheet resistance. By varying the buffer thickness, we demonstrate a direct relationship between buffer thickness and sheet resistance reduction, while considering implications to open-circuit voltages. We also performed resistance modeling to determine the optimal grid spacing and thickness of the grid fingers to minimize losses due to sheet resistance and grid shading. Efficiency data for a one junction GaInAs cell demonstrates a laser conversion efficiency of 38% at 1070 nm wavelength without an anti-reflection coating.

dual-use↗

Using AMReX's Embedded Boundaries to Support MFIX-Exa’s Geometry Capabilities

MFIX-Exa is an AMReX-based application used for the simulation of chemically reacting multiphase flows inside reactors. The reactor geometry is mostly a combination of primitive shapes such as cylinders, cubes and spheres of varying dimensions connected together with potentially a lot of dead space between them. Additionally, the reactors may have particle-laden jets introduced at different parts of their geometry to enhance reactant mixing. This talk presents how MFIX-Exa uses OpenSCAD’s csg format to allow users to define the embedded boundary (EB) geometry and how it supports specifying inflow through certain sections of the EB. The talk will describe how MFIX-Exa leverages the EB features of grid-pruning, restart files and redistribution. Finally, the talk goes over some capabilities which are currently not available in MFIX-Exa but planned for the future, such as moving parts of the reactor geometry.

embedded boundaries↗

A Research Testbed for Experimental Connectivity and Automation in Cars

Cyber-physical systems (CPS) are engineered systems in which the computational components and physical components of the system are interdependent and deeply linked. Discovery and development of CPS technologies are changing the way people interact with engineered systems. To demonstrate this point, consider the Global Positioning System (GPS) which revolutionized personal mobility. Its research origins stem from the US Department of Defense in 1973 for military use. By 2000 limitations on civilian consumption of GPS service were lifted. Immediately, personal GPS products were shipped for in-car navigation systems. Soon after, GPS receivers were embedded into mobile phones with the introduction of the Nokia N95 and Apple iPhone for maps and turn-by-turn navigation. With the benefit of hindsight we can see that GPS has become a cornerstone technology of our daily life. Satellite-based navigation has gone from a radical space technology, to a matter of uninteresting availability; it is the typical way that people navigate through roadways now. The combination of the satellite infrastructure, the integration of receiver modules, and powerful maps applications has significantly changed mobility in the 21st century.

42 ENGINEERING↗

Open-cycle thermochemical energy storage for building space heating: Practical system configurations and effective energy density

Salt-hydrate thermochemical materials (TCM) are promising candidates for energy storage systems for building space heating due to their high theoretical energy density and the need for low regeneration temperature. However, water vapor is required to drive the hydration process of the TCM reactor, which poses a challenge during winter when water vapor is typically scarce. Using indoor air directly lowers the building's humidity to an unconformable level in practice, while the cold outdoor air contains limited moisture. Here we consider different integration strategies for open-cycle TCM reactors in buildings and develop a model to simulate their thermal performance across diverse buildings and climates, specifically for building space heating. The potential energy densities and the levelized cost of storage of the TCM reactor are evaluated in practical scenarios to demonstrate the load-shifting potential of TCM systems for heating applications. We use a strontium chloride (SrCl 2 )-based composite as the baseline and explore the impact of various reactor and material changes to the energy density and levelized cost of storage.

25 ENERGY STORAGE↗

Generative diffusion model surrogates for mechanistic agent-based biological models

Mechanistic, multicellular, agent-based models are commonly used to investigate tissue, organ, and organism-scale biology at single-cell resolution. The Cellular-Potts Model (CPM) is a powerful and popular framework for developing and interrogating these models. CPMs become computationally expensive at large space- and time- scales making application and investigation of developed models difficult. Surrogate models may allow for the accelerated evaluation of CPMs of complex biological systems. However, the stochastic nature of these models means each set of parameters may give rise to different model configurations, complicating surrogate model development. In this work, we leverage denoising diffusion probabilistic models (DDPMs) to train a generative AI surrogate of a CPM used to investigate in vitro vasculogenesis. We describe the use of an image classifier to learn the characteristics that define unique areas of a 2-dimensional parameter space. We then apply this classifier to aid in surrogate model selection and verification. Our CPM model surrogate generates model configurations 20,000 timesteps ahead of a reference configuration and demonstrates approximately a 22x reduction in computational time as compared to native code execution. Our work represents a step towards the implementation of DDPMs to develop digital twins of stochastic biological systems.

97 MATHEMATICS AND COMPUTING↗