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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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1,279 records · Page 42

Modular Battery Controller

Some embodiments of the present invention describe a battery including a plurality of master-less controllers. Each controller is operatively connected to a corresponding cell in a string of cells, and each controller is configured to bypass a fraction of current around the corresponding cell when the corresponding cell has a greater charge than one or more other cells in the string of cells.

Button, Robert M

Predicting Atomistic Transitions with Transformers

Accurate knowledge of the atomistic transition pathways in materials and material surfaces is crucial for many material science problems. However, conventional simulation techniques used to find these transitions are extremely computationally intensive. Even with large-scale, accelerated material simulations, the computational cost constrains the applicable domain in practice. Machine learning models, with the potential to learn the complex emergent behaviors governing atomistic transitions as a fast surrogate model, have great promise to predict transitions with a vastly reduced computational cost. Here, we demonstrate how transformers can be trained to predict atomistic transitions in nano-clusters. We show how we evaluate physical validity of the predictions and how a multitude of additional, different microstates can be generated by slightly varying the data provided to the model.

36 MATERIALS SCIENCE

The cluster decomposition of the configurational energy of multicomponent alloys

Abstract The cluster expansion method (CEM) is a widely used lattice-based technique in the study of multicomponent alloys. Despite its prevalent use, a clear understanding of expansion terms is lacking. We present a modern mathematical formalism of the CEM and introduce thecluster decomposition—a unique and basis-independent decomposition for functions of the atomic configuration in a crystal. We identify the cluster decomposition as an invariant ANOVA decomposition; and demonstrate how functional analysis of variance and sensitivity analysis can be used to interpret interactions among species. Furthermore, we show how the mathematical structure of the cluster decomposition enables numerical evaluation that scales with the number of clusters and is independent of the number of species. Overall, our work enables rigorous interpretations of interactions among species, provides opportunities to explore parameter estimation beyond linear regression, introduces a numerical efficient implementation, and enables analysis of cluster expansions based on established mathematical and statistical principles.

Chemistry

Biochar–polymer composites for 3D printing: a review

Biochar, a bio-based co-product of biofuel production via thermochemical conversion, holds potential as a filler for polymer composites to reduce costs, improve thermomechanical properties, and aid in environmental remediation. 3D-printed biochar composites have received growing interest over the past few years but have experienced difficulties such as poor layer adhesion and nozzle clogging. Currently, no literature review examines 3D-printed biochar composites and related biochar properties in-depth. This work summarizes and discusses recent studies on 3D-printed polymer and biochar composites and examines their mechanical, thermal, and additional properties that result from each study. Technical challenges in printability, such as nozzle clogging from particle size and biochar aggregation, are also discussed. Furthermore, this work discusses the variability of biochar properties resulting from the pyrolysis conditions and feedstock choice in relation to potential 3D printing outcomes. In particular, several studies reported that high lignin feedstocks could be candidates for 3D printing. The post-processing approaches of the biochar via physical and chemical methods are also introduced. Ball milling appears to hold the most promise for physical treatments due to its tunability of particle size, surface area, and functional groups, while chemical treatments with acids or alkalis are used to tailor biochar porosity and wettability. Overall, it was determined that future research needs to be done relating biochar production and post-processing methods to resulting 3D printing parameters as the number of studies is limited.

Day, Rachel [Auburn University, Auburn, AL]

Establishing model credibility for process-microstructure-property relationships in additive manufacturing using exascale computing

Additive Manufacturing (AM) of alloys holds significant promise as a disruptive technology in various industries, yet its adoption is often hindered by challenges in achieving consistent part quality. These issues are primarily due to the complex process-microstructure-property (PSP) relationships inherent to AM. Computational models can greatly aid in understanding these relationships, but their widespread impact and adoption has been limited by a lack of validated, open-source, and computationally efficient PSP modeling frameworks and hardware limitations. Here, this study leverages the ExaAM software suite and data from the AMBench-2018 series of laser powder bed fusion (LPBF) benchmark experiments to perform a comprehensive model assessment, including verification, validation, sensitivity analysis, and uncertainty quantification. The RADICAL-EnTK workflow manager was used to perform an ensemble of heat transport, solidification, and mechanical response simulations on the exascale computer Frontier, considering uncertainties in critical model inputs such as laser spot size and nucleation parameters, and consisting of 125 explicit grain structure simulations and 7875 crystal plasticity simulations. For a selected location within the Inconel 625 AMBench-2018 test artifact, sensitivity analysis and uncertainty quantification were performed using the predicted distributions of grain structure and mechanical properties. Qualitative agreement was found between the predicted grain size and texture and the observed AMBench-2018 microstructure, the mean predicted yield stress was within 5% of the experimental measurement mean, and the mean predicted engineering stress at 5% strain was within 10% of the experimental measurement mean. The insights gained from development and validation of the ExaAM PSP modeling framework will help guide future directions for enhancing the credibility and reliability of PSP models in AM, thereby accelerating the adoption of AM technologies in various industries.

Additive manufacturing

Initial Feasibility Assessment and Broader Strategy Development for Fiber Integration via Advanced Manufacturing

Structural health monitoring is critical for ensuring the operational safety and cost-competitiveness of the developing advanced reactor designs. The extreme operational envelopes of these advanced architectures, having operating temperatures ranging 400°C–1,000°C and heightened displacement damage doses, render conventional commercially available piezoelectric transducers and resistive strain gauges unviable. Optical fiber sensors present an attractive solution for advanced radiation-hardened instrumentation due to their high thermal stability and distributed sensing capabilities. However, their deployment in embedded applications can be hindered by the severe thermomechanical strain driven by the coefficient of thermal expansion mismatch between fused silica glass and structural metal alloys like stainless steel (e.g., SS316L).

36 MATERIALS SCIENCE

Self-Leveling Inks for Printing Ultra-uniform Perovskite Solar Modules by Flexography

The report describes the development of scalable manufacturing methods for high-performance, stable perovskite solar modules using flexographic printing. The project developed self-leveling perovskite inks that exploit Marangoni flows to reduce coating defects and improve large-area film uniformity. Bayesian optimization was integrated with high-throughput photoluminescence mapping and photovoltaic measurements to efficiently optimize ink formulations and printing conditions. The resulting printed perovskite solar cells achieved champion power conversion efficiencies above 21.6%, with median efficiencies exceeding 20% across large device batches. At the module scale, printed devices achieved active-area efficiencies up to approximately 17.3% on 25 cm² substrates. The project also demonstrated improved performance and stability using additively patterned interconnections compared with laser-scribed controls. Overall, the work establishes a data-driven, roll-compatible pathway toward high-throughput, low-capital-cost manufacturing of uniform and stable perovskite photovoltaics.

14 SOLAR ENERGY

SQUID Readout of a High-$Q$ Superconducting $LC$ Resonator

We demonstrate the readout of a superconducting $LC$ resonator, with $Q \approx 2 \times 10^{6}$ at approximately 250 kHz, using a dc SQUID followed by a SQUID series-array amplifier readout chain. We find that $Q$ depends on the SQUID flux-bias point, increasing near the shallow-slope point of the SQUID modulation curve and decreasing near the steep-slope point, consistent with the previously observed SQUID damping effects. From this variation, we infer the SQUID effective input impedance. We further infer the effective temperature of the resonator circuit from the resonance peak in the noise spectrum and show that it also depends on the SQUID flux-bias point, suggesting a possible contribution from SQUID back-action noise. This system provides a working prototype for future experiments based on lumped-element resonators with SQUID readout, in particular low-mass axion searches within the DMRadio program.

FOS: Physical sciences

Elastic Modulus Measurement at High Temperatures for Miniature Ceramic Samples Using Laser Micro-Machining and Thermal Mechanical Analyzer

In this paper, we demonstrate a method of measuring the flexural elastic modulus of ceramics at an intermediate (~millimeter) scale at high temperatures. We used a picosecond laser to precisely cut microbeams from the location of interest in a bulk ceramic. They had a cross-section of approximately 100 μm × 300 μm and a length of ~1 cm. They were then tested in a thermal mechanical analyzer at room temperature, 500 °C, 800 °C, and 1100 °C using the four-point flexural testing method. We compared the elastic moduli of high-purity Al2O3 and AlN measured by our method with the reported values in the literature and found that the difference was less than 5% for both materials. This paper provides a new and accurate method of characterizing the high-temperature elastic modulus of miniature samples extracted from representative/selected areas of bulk materials.

Chemistry

Density Functional Theory Analysis of Candidate Tritium Permeation Barriers for Vanadium Alloys as a Fusion Structural Material

Vanadium alloys are being considered as a candidate structural material for the breeder blanket component of future fusion reactors due to their good thermal conductivity, low activation, and chemical compatibility with FLiBe. However, vanadium has a high hydrogen solubility, resulting in hydrogen diffusion and trapping in the vanadium structural alloy and lower than expected tritium breeding ratios. To mitigate the permeation of hydrogen into the structural alloy, a tritium permeation barrier will be coated onto the vanadium alloy. Multiple materials have been proposed as candidate tritium permeation barriers, but the extent to which each of these materials impacts hydrogen diffusion and trapping is still unknown. In this project, we perform atomic-scale calculations to narrow down the list of potential tritium permeation barrier candidates and to understand the mechanisms through which hydrogen diffusion is affected in these materials.

36 MATERIALS SCIENCE

A topological superconductor tuned by electronic correlations

A topological superconductor, characterized by either a chiral order parameter or a topological surface state in proximity to bulk superconductivity, is foundational to topological quantum computing. A key open challenge is whether electron-electron interactions can tune such topological superconducting phases. Here, we provide experimental signatures of a unique topological superconducting phase in competition with electronic correlations in 10-unit-cell thick FeTe x Se 1-x films grown on SrTiO 3 substrates. When the Te content x exceeds 0.7, we observe a topological transition marked by the emergence of a superconducting surface state. Near the FeTe limit, the system undergoes another transition where the surface state disappears, and superconductivity is suppressed. Theory suggests that electron-electron interactions in the odd-parity xy− band drives this second topological transition. The flattening and eventual decoherence of d xy -derived bands track the superconducting dome, linking correlation effects directly to superconducting coherent transport. Our work establishes many-body electronic correlations as a sensitive knob for tuning topology and superconductivity, offering a pathway to engineer new topological phases in correlated materials.

36 MATERIALS SCIENCE

Low-energy calibration of SuperCDMS HVeV cryogenic silicon calorimeters using Compton steps

Cryogenic calorimeters for low-mass dark matter searches have achieved sub-eV energy resolutions, driving advances in both low-energy calibration techniques and our understanding of detector physics. The energy deposition spectrum of gamma rays scattering off target materials exhibits step-like features, known as Compton steps, near the binding energies of atomic electrons. Here, we demonstrate a successful use of Compton steps for sub-keV calibration of cryogenic silicon calorimeters, utilizing four SuperCDMS High-Voltage eV-resolution detectors operated with 0 V bias across the crystal. This new calibration at 0 V is compared with the established high-voltage calibration using optical photons. The comparison indicates that the detector response at 0 V is about 30% weaker than expected, highlighting challenges in detector response modeling for low-mass dark matter searches.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Integrated Inverter And Battery Charger

Circuit combines functions of dc-to-ac inversion (for driving ac motor in battery-powered vehicle) and ac-to-dc conversion (for charging battery from ac line when vehicle not in use). Automatically adapts to either mode. Design of integrated inverter/charger eliminates need for duplicate components, saves space, reduces weight and cost of vehicle. Advantages in other applications : load-leveling systems, standby ac power systems, and uninterruptible power supplies.

Rippel, Wally E.

Aerosol Can Fireball Tests: Commodity Hazards in the Transportation Environment Phase 1 Report

This report describes a series of tests performed at Sandia’s burn site to better understand the behavior of aerosol commodities and their hazards in the transportation environment. This comes on the tail of a prior study on the use cases and historical hazards associated with aerosol commodities in the shipping environment (Cambridge Systematics Incorporated, CSI, 2020). It is also mindful of the National Fire Protection Agency NFPA30B standard for safe warehousing of aerosol commodities. Warehousing is different from transit because warehousing typically involves active suppression and mitigation measures not practical or relevant to the shipping environment. Transit also typically involves tighter packing and smaller enclosure spaces. The transportation hazard space has not been heavily studied in prior testing specifically aimed towards the ground, rail, and nautical shipping environments.

54 ENVIRONMENTAL SCIENCES

TRTR NRAD NRS Beamline Abstract

The Neutron Radiography (NRAD) Reactor is a 250kW TRIGA housed under the largest hot cell in the United States, making it the foremost location to perform neutron imaging of irradiated nuclear fuels and materials, including those intended for use with advanced reactors. Currently, NRAD has two radial beamlines that are used for neutron radiography and tomography. Upgrades to the North neutron beamline include the replacement of the in-tank beam chamber, through-the-wall collimator, and neutron shutter. These beamline upgrades will not only improve image quality for current capabilities but will also condition the beam to be more suitable for advanced methods such as neutron powder diffraction. These upgrades will increase the excess reactivity of the core, reduce unnecessary activation and exposure to workers, and significantly reduce the amount of shielding required around the beam. This presentation will describe how these upgrades improve beam quality, increase utilization of the reactor, and reduce radiation exposure to personnel.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN

Assembly bias and local Primordial non-Gaussianity from DESI DR1 quasars

The analysis of the large-scale clustering of quasars (QSO) observed by the Dark Energy Spectroscopic Instrument (DESI) represents a promising avenue for constraining local Primordial non-Gaussianity (PNG), parameterized by f NL . The signal to be constrained is the scale-dependent bias induced in the 2-point clustering of the considered tracer sample. The resulting constraints on f NL , however, are fully degenerate with the local PNG bias parameter b ϕ , dependent on the assembly bias parameter p. Using IllustrisTNG hydrodynamical simulations, we select a QSO sample reflecting the selection criteria and properties of DESI QSOs, and provide a robust prior for p, and thus for b ϕ , building on the findings of Fondi et al. 2024. We find a distribution with mean p̅ ≃ 1.4 with weak redshift dependence, stable to selection noise and consistent with the expected recent merger history typical of quasar-hosting halos. By comparing with the CAMELS simulations we demonstrate that this prior is robust to astrophysical assumptions and cosmic variance. Finally, applying this prior to the DESI DR1 dataset, we derive updated constraints on local PNG, obtaining f NL = -3.3±9.2.

cosmological parameters from LSS

Thermo-Mechanical Phase-Field Modeling of Fracture in High-Burnup UO2 Fuels Under Transient Conditions

This study presents a novel multiphysics phase-field fracture model to analyze high-burnup uranium dioxide (UO2) fuel behavior under transient reactor conditions. Fracture is treated as a stochastic phase transition, which inherently accounts for the random microstructural effects that lead to variations in the value of fracture strength. Moreover, the model takes into consideration the effects of temperature and burnup on thermal conductivity. Therefore, the model is able to predict crack initiation, propagation, and complex morphologies in response to thermal gradients and stress distributions. Several simulations were conducted to investigate the effects of operational and transient conditions on fracture behavior and the resulting cracking patterns. High-burnup fuels exhibit reduced thermal conductivity, elevating temperature gradients and resulting in extensive radial and circumferential cracks. Transient heating rates and temperatures significantly affect fracture patterns, with higher heating rates generating steeper gradients and more irregular crack trajectories. This approach provides critical insights into fuel integrity during accident scenarios and supports the safety evaluation of extended burnup limits.

Chemistry

Dynamic asymmetric strain imprinted into substrates by an oxide thin film

In film-substrate systems, the substrate role is often considered to be limited to providing static mechanical constraints. Dynamic film-substrate interactions when a structural change in the film modifies the substrate are generally disregarded. Here, using combined x-ray and electron microscopies, we observed that an electrically induced filament in a vanadium dioxide film created strong asymmetric strain in an underlying sapphire substrate. This asymmetric substrate strain fed back into the film and defined the filament expansion direction, revealing the importance of film-substrate dynamic interactions in determining film functionality. Furthermore, the strain imprint propagated at least tens of micrometers deep into the substrate, exceeding the film thickness by more than 200-fold, potentially enabling substrate functionalization as an active mechanical coupling media in three-dimensional integrated microelectronic architectures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND