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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 181 records · Page 10

CG-Kit: Code Generation Toolkit for performant and maintainable variants of source code applied to Flash-X hydrodynamics simulations

CG-Kit is a new Code Generation tool-Kit that we have developed as a part of the solution for portability and maintainability for multiphysics computing applications. The development of CG-Kit is rooted in the urgent need created by the shifting landscape of high-performance computing platforms and the algorithmic complexities of a particular large-scale multiphysics application: Flash-X. To efficiently use computing resources on a heterogeneous node, an application must have a map of computation to resources and a mechanism to move the data and computation to the resources according to the map. Most existing performance portability solutions are focussed on abstracting the expression of computations so that a unified source code can be specialized to run on different resources. However, such an approach is insufficient for a code like Flash-X, which has a multitude of code components that can be assembled in various permutations and combinations to form different instances of applications. Similar challenges apply to any code that has composability, where a single specified way of apportioning work among devices may not be optimal. Additionally, use cases arise where the optimal control flow of computation may differ for different devices while the underlying numerics remain identical. This combination leads to unique challenges including handling an existing large code base in Fortran and/or C/C++, subdivision of code into a great variety of units supporting a wide range of physics and numerical methods, different parallelization techniques for distributed and shared memory systems and accelerator devices, and heterogeneity of computing platforms requiring coexisting variants of parallel algorithms. All of these challenges demand that scientific software developers apply existing knowledge about domain applications, algorithms, and computing platforms to determine custom abstractions and granularity for code generation. There is a critical lack of tools to tackle those problems. CG-Kit is designed to fill this gap by providing a user with the ability to express their desired control flow and computation-to-resource map in the form a pseudocode-like recipe. It consists of standalone tools that can be combined into highly specific and, we argue, highly effective portability and maintainability toolchains. Here we present the design of our new tools: parametrized source trees, control flow graphs, and recipes. The tools are implemented in Python. They are agnostic to the programming language of the source code targeted for code generation. In conclusion, we demonstrate the capabilities of the toolkit with two examples, first, multithreaded variants of the basic AXPY operation, and second, variants of parallel algorithms within a hydrodynamics solver, called Spark, from Flash-X that operates on block-structured adaptive meshes.

Algorithmic portability↗

Kepler Data Validation I: Architecture, Diagnostic Tests, and Data Products for Vetting Transiting Planet Candidates

The Kepler Mission was designed to identify and characterize transiting planets in the Kepler Field of View and to determine their occurrence rates. Emphasis was placed on identification of Earth-size planets orbiting in the Habitable Zone of their host stars. Science data were acquired for a period of four years. Long-cadence data with 29.4 min sampling were obtained for approx. 200,000 individual stellar targets in at least one observing quarter in the primary Kepler Mission. Light curves for target stars are extracted in the Kepler Science Data Processing Pipeline, and are searched for transiting planet signatures. A Threshold Crossing Event is generated in the transit search for targets where the transit detection threshold is exceeded and transit consistency checks are satisfied. These targets are subjected to further scrutiny in the Data Validation (DV) component of the Pipeline. Transiting planet candidates are characterized in DV, and light curves are searched for additional planets after transit signatures are modeled and removed. A suite of diagnostic tests is performed on all candidates to aid in discrimination between genuine transiting planets and instrumental or astrophysical false positives. Data products are generated per target and planet candidate to document and display transiting planet model fit and diagnostic test results. These products are exported to the Exoplanet Archive at the NASA Exoplanet Science Institute, and are available to the community. We describe the DV architecture and diagnostic tests, and provide a brief overview of the data products. Transiting planet modeling and the search for multiple planets on individual targets are described in a companion paper. The final revision of the Kepler Pipeline code base is available to the general public through GitHub. The Kepler Pipeline has also been modified to support the Transiting Exoplanet Survey Satellite (TESS) Mission which is expected to commence in 2018.

data analysis↗

AI‐Driven Defect Engineering for Advanced Thermoelectric Materials

Thermoelectric materials offer a promising pathway to directly convert waste heat to electricity. However, achieving high performance remains challenging due to intrinsic trade-offs between electrical conductivity, the Seebeck coefficient, and thermal conductivity, which are further complicated by the presence of defects. This review explores how artificial intelligence (AI) and machine learning (ML) are transforming thermoelectric materials design. Advanced ML approaches including deep neural networks, graph-based models, and transformer architectures, integrated with high-throughput simulations and growing databases, effectively capture structure-property relationships in a complex multiscale defect space and overcome the “curse of dimensionality”. This review discusses AI-enhanced defect engineering strategies such as composition optimization, entropy and dislocation engineering, and grain boundary design, along with emerging inverse design techniques for generating materials with targeted properties. Finally, it outlines future opportunities in novel physics mechanisms and sustainability, highlighting the critical role of AI in accelerating the discovery of thermoelectric materials.

36 MATERIALS SCIENCE↗

Experimental capabilities of the LMJ-PETAL facility

In this study, recent progress in the experimental capabilities of the LMJ-PETAL laser facility is reviewed. Updates on the indirect-drive D 2 implosion experiments and equation-of-state experiments using the LMJ laser are presented, including the commissioning of new plasma diagnostics. Several recent campaigns using the PETAL laser alone are also presented, namely the development of a platform using high-resolution and high-energy X-ray sources for radiography experiments, laser wakefield acceleration studies in the self-modulated regime, and neutron generation using a Target Normal Sheath Accelerated proton beam in a pitcher-catcher configuration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Generation of radioisotopes for medical applications using high-repetition, high-intensity lasers

We used the PW high-repetition laser facility VEGA-3 at Centro de Láseres Pulsados in Salamanca, with the goal of studying the generation of radioisotopes using laser-driven proton beams. Various types of targets have been irradiated, including in particular several targets containing boron to generate α-particles through the hydrogen–boron fusion reaction. We have successfully identified γ-ray lines from several radioisotopes created by irradiation using laser-generated α-particles or protons including 43 Sc, 44 Sc, 48 Sc, 7 Be, 11 C and 18 F. We show that radioisotope generation can be used as a diagnostic tool to evaluate α-particle generation in laser-driven proton–boron fusion experiments. We also show the production of 11 C radioisotopes, ≈ 6 × 10 6 , and of 44 Sc radioisotopes, ≈ 5 × 10 4 per laser shot. This result can open the way to develop laser-driven radiation sources of radioisotopes for medical applications.

gamma ray spectroscopy↗

Multi-Ion Complexes and Competition from Bulky BArF – Anions for Chloride Binding in Ion Pairing Conditions

Cationic charges have long been used to enhance anion binding. Embedding charge introduces strong ion pairing for target anions but also for off-target ions, ultimately generating a mixture of multi-ion species that are hard to identify and quantify. While many sidestep this problem using polar solvents and weakly coordinating ions, these approaches exclude a substantial cross-section of conditions found in applications spanning recognition, assembly, separations, templation, and catalysis. To confront this complexity, we study the binding of an anion to a cationic receptor featuring low shape complementarity in a low-polarity solvent to maximize ionic interactions. We prepared the receptor as a salt of the weakly coordinating tetrakis­[3,5-bis­(trifluoromethyl)­phenyl]­borate (BArF – ) anion and studied the binding of small chloride (Cl – ) and medium-sized iodide (I – ) anions. Surprisingly, the use of the bulky BArF – anion does not suppress ion pairing interactions, with 65% of the receptor being paired at 0.5 mM in dichloromethane. We observe multi-ion receptor-Cl – complexes (2:1, 1:1, 1:2), reinforcing the complexity that emerges when working in low-polarity media. Here, we reveal the dependence of affinity on anion charge density and size and that bulky BArF – counteranions compete for chloride binding. These studies reveal the noninnocence of BArF – anions and strategies to quantify multi-ion species.

Ion pairing↗

Testing NeuralGCM's capability to simulate future heatwaves based on the 2021 Pacific Northwest heatwave event

AI-based weather and climate models are emerging as accurate and computationally efficient tools. Beyond weather forecasting, they also show promise to accelerate storyline analyses. We evaluate NeuralGCM’s ability to simulate an extreme heatwave against the Energy Exascale Earth System Model (E3SM), a physics-based climate model. NeuralGCM accurately replicates the targeted event, and generates stable and realistic mid-century projections. However, due to the absence of land feedbacks, NeuralGCM underestimates the projected warming amplitude compared to physics-based model references.

54 ENVIRONMENTAL SCIENCES↗

Study of ablation and shock generation across three orders of magnitude of laser intensity with 100 ps laser pulses

The laser ablation and subsequent shock generation in solid targets plays an important role in a variety of research topics from equation of state models for materials to inertial confinement fusion. One of the long-standing issues is the knowledge of ablation depth in the picosecond time regime. Here, we report on a direct technique for determining the ablation depth in aluminum using x-ray diffraction data from Linac Coherent Light Source at the Stanford Linear Accelerator Center. This technique gives a direct measurement of the shock wave propagation in the bulk target, enabling an ability to discern early timescale physics from late timescale effects not available in postmortem analysis. We find that the ablation depths only vary by 0.2 μm across three orders of magnitude of laser intensity, while the pressure increased by a factor of 10 following a square root dependence on laser pulse energy. We further observe that the ablation depth in this intensity range (10 11 –10 13 W/cm 2 in intensity, corresponding to 0.8–80 J/cm 2 in fluence) cannot be modeled by a universal scaling law, given the complexity of the mechanisms governing laser ablation in this intensity regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Program Generators for Exascale and Beyond (Final Technical Report)

The major goals of this project were to devise programming models and supporting tools that simplify the construction of specialized high‐performance generators, leading to improvements over the state of the art along the various dimensions of portability, performance, and productivity. In particular, the project achieved these goals by focusing on domain‐specific languages (DSLs) as intermediate layers in a translation and optimization framework, on composability of program generators, on re‐targeting legacy code, and on fundamental methodologies such as stage polymorphism or "generic programming in time".

97 MATHEMATICS AND COMPUTING↗

Secondary Beamline Lattice Design at the MeV Test Area (MTA)

The MTA is currently configured to produce a secondary pion beam from a tungsten target, which subsequently generates muons from decay in flight. In its present lattice configuration, the currently installed air core quadrupoles are strength-limited in their ability to deliver a high muon flux to the end user. Recently, seven strong iron-core quadrupole spares from the 400-MeV Linac were acquired. Based on these quadrupoles, a new lattice has been designed that maximizes both pion transport and muon capture the line based on significantly shorter magnetic lengths, strong magnetic gradients, and consequently an enhanced angular acceptance. For this project, we demonstrated that the ratio of muons to pions increased by over an order of magnitude (approximately 75 for lattice configurations were studied), successfully capturing a phase space area as large as 13.2 [mm] x 24 [mRad] in simulation.

Winter, Wesley↗

Rationally Designed Lithium Ion Batteries Towards Displacing Internal Combustion Engines

Group14 Technologies is leading a word-class team composed of Cabot Corporation, Silatronix, Arkema, Pacific Northwest National Laboratories, and Farasis Energy to research, fabricate, test and demonstrate lithium-ion batteries (LIB) implementing ≥30% silicon-carbon (Si-C) composite anode material achieving aggressive next generation automotive energy targets.

25 ENERGY STORAGE↗

Establishment of a Vertically Integrated Domestic Manufacturing Process for Production of Substrates Needed for Manufacture of Gas Diffusion Layers

In this project, AvCarb, LLC evaluated the baseline performance metrics of commercial carbon veils and their corresponding Gas Diffusion Layers (GDLs) with the goal of establishing an optimized, vertically integrated production system for wet-laid nonwoven substrates used in gas diffusion media for electrochemical energy storage and conversion devices. Mechanical testing and microstructural characterization were conducted and used to develop a multiscale computational model capable of simulating and predicting the performance of GDLs in fuel cells. Although the project successfully generated foundational transport and modeling data, it was terminated prior to identifying the critical GDL design parameters necessary for full optimization. The program aimed to improve carbon veil fabrication through enhanced fiber dispersion, fiber-fiber adhesion control, and improved web formation, enabling the production of high-quality, uniform substrates. Simulations were intended to guide mixing and solution delivery system design and process conditions, followed by production-scale trials to evaluate fiber dispersion, web uniformity, and mechanical robustness. At full deployment, the proposed production line would have been capable of producing approximately 650,000 m² of carbon veil annually. This capability remains strategically important, as the United States currently lacks a domestic source of wet-laid nonwoven carbon substrates that satisfy the stringent quality requirements for fuel-cell GDLs and electrolyzers representing an ongoing supply-chain vulnerability. Beyond supply-chain benefits, the project established a robust benchmarking dataset for existing commercial carbon veils while advancing next-generation material concepts targeting improved performance and manufacturing consistency.

Olson, Cynthia Lemay↗

Noise generated by STOL core-jet thrust reversers

An experimental investigation on the noise generated by target-type thrust reversers is discussed. The experimental data are normalized and scaled up to sizes suitable for reversing the core jets of a 100,000 lb augmentor-wing-type STOL airplane. The scaling calculations yield perceived noise levels well above the 95-PNdB design goal for both sideline and flyover at 500 ft. V-gutter and semicylindrical reversers were tested with a 5.24-cm-diameter circular nozzle, and a semicylindrical reverser was also tested with a 7.78-cm-diameter circular nozzle. The thrust reversers, in addition to being noisier than the nozzle alone, also had a more uniform directivity. The maximum overall sound pressure level and the effective sound power level both varied with sixth power of the nozzle jet velocity.

Stone, J. R.↗

Noise generated by STOL core-jet thrust reversers.

This paper summarizes the results of an experimental investigation on the noise generated by target-type thrust reversers. The experimental data are normalized and scaled up to sizes suitable for reversing the core jets of a 45,400-kg augmentor-wing-type STOL airplane. The scaling calculatings yield perceived noise levels well above the 95-PNdB design goal for both sideline and flyover at 152.5 m. V-gutter and semicylindrical reversers were tested with a 5.24-cm-diameter circular nozzle, and a semicylindrical reverser was also tested with a 7.78-cm-diameter circular nozzle. Other test variables were the spacing between nozzle and reverser, reverser orientation, and nozzle pressure ratio. The thrust reversers, in addition to being noisier than the nozzle alone, also had a more uniform directivity.

Stone, J. R.↗

System design impact of guidance and navigation analysis for a SEPS 1979 Encke flyby

Baseline guidance and navigation strategy for an ecliptic projection of the Encke flyby mission consider solar electric propulsion stage parameters in generating optimized and targeted trajectory control. Results show the Encke relative approach error to be dominated by ephemerical uncertainties, particularly the velocity components.

Hong, P.↗

The role of volatiles and lithology in the impact cratering process

A survey of published descriptions of 32 of the largest, least eroded terrestrial impact structures shows that the amount of melt at craters in crystalline rocks is approximately two orders of magnitude greater than that at craters in sedimentary rocks. A model is proposed for the impact process, and it is examined whether the difference in melt abundance is due to differences in the amount of melt generated in various target materials or due to differences in the fate of the melt during late stages of the impact. The model accounts semiquantitatively for the effects of porosity and water and volatile content on the cratering process. Important features of the model are noted. Even if the recondensation of released volatiles is very efficient, the cumulative effect of repeated impacts on accreting planets would be to continually transfer volatiles toward the outer surface. By this process, volatiles might be enriched toward the outer layer of a growing planet.

Kieffer, S. W.↗

Quaternions for Galileo scan platform control

The application of quaternions for the articulation control of the Galileo scan platform is presented in this paper. The purpose of selecting quaternions is to minimize onboard computation time and program size. Attention has been focused on performing inertial pointing while the spacecraft is in a dual spin configuration. Target quaternion and relative target quaternion are introduced and used to specify the target position of the scan platform for point-to-point absolute slews and mosaic relative slews, respectively. The pointing error of the platform is represented by an error quaternion which is converted into gimbal angular errors defining the attitude change. For path control, a moving target quaternion is generated; the corresponding tracking error quaternion and the related spacecraft motion compensation capability are also addressed. A sample slew case is used to demonstrate the implementation of these concepts.

Breckenridge, W. G.↗

Composite material systems for hydrogen management

The task of managing hydrogen entry into elevated temperature structural materials employed in turbomachinery is a critical engineering area for propulsion systems employing hydrogen or decomposable hydrocarbons as fuel. Extant structural materials, such as the Inconel series, are embrittled by the ingress of hydrogen in service, leading to a loss of endurance and general deterioration of load-bearing dependability. Although the development of hydrogen-insensitive material systems is an obvious engineering option, to date insensitive systems cannot meet the time-temperature-loading service extremes encountered. A short-term approach that is both feasible and technologically sound is the development and employment of hydrogen barrier coatings. The present project is concerned with developing, analyzing, and physically testing laminate composite hydrogen barrier systems, employing Inconel 718 as the structural material to be protected. Barrier systems will include all metallic, metallic-to-ceramic, and, eventually, metallic/ceramic composites as the lamellae. Since space propulsion implies repetitive engine firings without earth-based inspection and repair, coating durability will be closely examined, and testing regimes will include repetitive thermal cycling to simulate damage accumulation. The target accomplishments include: generation of actual hydrogen permeation data for metallic, ceramic-metallic, and hybrid metallic/ceramic composition barrier systems, practically none of which is currently extant; definition of physical damage modes imported to barrier systems due to thermal cycling, both transient temperature profiles and steady-state thermal mismatch stress states being examined as sources of damage; and computational models that incorporate general laminate schemes as described above, including manufacturing realities such as porosity, and whatever defects are introduced through service and characterized during the experimental programs.

Pangborn, R. N.↗