Deep hybrid model with satellite imagery: How to combine demand modeling and computer vision for travel behavior analysis?
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Business & Economics↗
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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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From Chaos to Clarity: Autonomous Materials Discovery for Extreme Environments [Slides]
The pursuit of advanced functional materials for energy applications demands an understanding of their behavior under the most challenging conditions. Extreme environments, characterized by intense radiation, high temperatures, and corrosive chemistries, push materials to their limits, often revealing unexpected behaviors and degradation pathways. Traditional materials research approaches, relying on trial-and-error experimentation, are often slow and resource-intensive, ill-suited to the complexities of extreme environments. This talk will explore the transformative potential of autonomous materials science in revolutionizing our understanding of materials synthesis and degradation in extreme environments. By integrating advanced microscopy techniques, artificial intelligence, and robotic experimentation, we can accelerate the discovery and design of resilient materials for a sustainable future. The presentation will highlight recent breakthroughs in autonomous microscopy, computer vision, and machine learning, showcasing their ability to unravel complex material transformations at the atomic scale. The talk will also delve into the challenges and opportunities associated with deploying autonomous systems to probe extreme environments, emphasizing the importance of robust algorithms, real-time data analysis, and adaptive experimentation. The ultimate goal is to empower scientists with unprecedented capabilities to explore, understand, and engineer materials that can withstand the harshest conditions, paving the way for innovations in energy, aerospace, and beyond.
14 SOLAR ENERGY↗
From Chaos to Clarity: Autonomous Materials Discovery for Extreme Environments
The pursuit of advanced functional materials for energy applications demands an understanding of their behavior under the most challenging conditions. Extreme environments, characterized by intense radiation, high temperatures, and corrosive chemistries, push materials to their limits, often revealing unexpected behaviors and degradation pathways. Traditional materials research approaches, relying on trial-and-error experimentation, are often slow and resource-intensive, ill-suited to the complexities of extreme environments. This talk will explore the transformative potential of autonomous materials science in revolutionizing our understanding of materials synthesis and degradation in extreme environments. By integrating advanced microscopy techniques, artificial intelligence, and robotic experimentation, we can accelerate the discovery and design of resilient materials for a sustainable future. The presentation will highlight recent breakthroughs in autonomous microscopy, computer vision, and machine learning, showcasing their ability to unravel complex material transformations at the atomic scale. The talk will also delve into the challenges and opportunities associated with deploying autonomous systems to probe extreme environments, emphasizing the importance of robust algorithms, real-time data analysis, and adaptive experimentation. Our ultimate goal is to empower scientists with unprecedented capabilities to explore, understand, and engineer materials that can withstand the harshest conditions, paving the way for innovations in energy, aerospace, and beyond.
artificial intelligence↗
3013 Baseline Inner Container Report: Description, Imaging, and Analysis
This report presents consolidated findings from three microscopy studies of baseline Bagless Transfer Containers (BTCs), which are the inner containers used in DOE Standard 3013-compliant plutonium storage packages. The studies were conducted by Los Alamos National Laboratory (LANL), Savannah River National Laboratory (SRNL), and DNV, a subcontractor specializing in corrosion science. The baseline BTCs examined had not been exposed to corrosive environments, serving as control samples for comparison with destructively examined (DE) containers. Additionally, the Background section provides an overview of the BTC design, including manufacturing methods, material properties, and container configurations that may influence corrosion behavior. The primary objective of the LANL and SRNL studies was to establish reference characteristics of BTCs to distinguish manufacturing artifacts from corrosion-induced features observed in DE containers. Both laboratories used advanced microscopy techniques, including Wide Area Microscopy (WAMS), Laser Confocal Microscopy (LCM), Scanning Electron Microscopy (SEM), and Focused Ion Beam (FIB), to reveal that most surface anomalies were shallow and attributable to flow-forming processes, not corrosion. Subsurface impurities, identified as non-metallic inclusions, were also observed. DNV’s investigation focused on characterizing the mechanical and chemical properties of the BTC material to support crack growth modeling. Their findings indicate higher hardness and strength but reduced ductility—consistent with flow-formed 304L stainless steel and a higher-than-expected martensite content, in contrast to manufacturer claims. Ongoing and future studies, including Electron Backscatter Diffraction (EBSD), aim to further understand the microstructural factors influencing crack initiation and propagation. The combined studies provide a crucial baseline for distinguishing corrosion effects in DE containers, contributing to the safe and reliable long-term storage of plutonium-bearing materials.
36 MATERIALS SCIENCE↗
Additive Manufacturing of Poly(phenylene Sulfide) Aerogels via Simultaneous Material Extrusion and Thermally Induced Phase Separation
Abstract Additive manufacturing (AM) of aerogels increases the achievable geometric complexity, and affords fabrication of hierarchically porous structures. In this work, a custom heated material extrusion (MEX) device prints aerogels of poly(phenylene sulfide) (PPS), an engineering thermoplastic, via in situ thermally induced phase separation (TIPS). First, pre‐prepared solid gel inks are dissolved at high temperatures in the heated extruder barrel to form a homogeneous polymer solution. Solutions are then extruded onto a room‐temperature substrate, where printed roads maintain their bead shape and rapidly solidify via TIPS, thus enabling layer‐wise MEX AM. Printed gels are converted to aerogels via postprocessing solvent exchange and freeze‐drying. This work explores the effect of ink composition on printed aerogel morphology and thermomechanical properties. Scanning electron microscopy micrographs reveal complex hierarchical microstructures that are compositionally dependent. Printed aerogels demonstrate tailorable porosities (50.0–74.8%) and densities (0.345–0.684 g cm −3 ), which align well with cast aerogel analogs. Differential scanning calorimetry thermograms indicate printed aerogels are highly crystalline (≈43%), suggesting that printing does not inhibit the solidification process occurring during TIPS (polymer crystallization). Uniaxial compression testing reveals that compositionally dependent microstructure governs aerogel mechanical behavior, with compressive moduli ranging from 33.0 to 106.5 MPa.
Chemistry↗
Dynamics of Intra-Cell Thermal Front Propagation in Lithium-Ion Battery Safety Issues
Thermal runaway (TR), a critical failure mode in lithium-ion batteries (LIBs), poses significant safety risks and hinders wider application of LIBs. TR typically begins at a localized heat source and spreads across the cell. Understanding thermal front propagation (TFP) characteristics, such as front and velocity, is crucial for assessing energy release and temperature distribution for battery hazardous estimation. Recent studies assume that TR within cells propagates at a near-constant velocity, based on the reaction kinetics and thermal properties. Here, in this study, an intra-battery TR model is further proposed and it indicates that TFP velocity stabilizes when the front is distanced from the heat source. Theoretical estimates for propagation velocity and front are developed and validated through numerical simulations and experimental tests from the NREL Battery Failure Databank. The energy release rate during TFP and the impact of preheating based on a point heat source are explored. This work clarifies the long-standing clouds of the thermal font propagation behaviors within the single cell, highlights the power and beauty of mathematics modeling to describe the complicated thermal behaviors, and provides important guidelines for thermal hazardous understanding for next-generation batteries.
25 ENERGY STORAGE↗
Effect of nickel on the kinematic stability of retained austenite in carburized bearing steels – In-situ neutron diffraction and crystal plasticity modeling of uniaxial tension tests in AISI 8620, 4320 and 3310 steels
The presence of kinematically metastable retained austenite in the microstructure of bearing components can significantly affect the macro and micro-mechanical material response. In the present work, the influence of Ni on the stability of the retained austenite within three different grades of high carbon bearing steel using in-situ neutron diffraction is investigated. For the first time, the results show that presence of Ni increases the stability of the austenite in the elastic regime whereas the transformation rate remains unaffected. Crystal plasticity finite element (CPFE) modeling was used to study the deformation in these three steels and shows that the predominant factor causing the difference in mechanical behavior of these steels is the austenite stability. Finally, the elastic and plastic response of the matrix martensite was found to be identical among all specimens while the austenite demonstrates similar elastic behavior but remarkably different stabilities under monotonic loading.
36 MATERIALS SCIENCE↗
Effect of the redox potential on the general corrosion behavior of industrial nuclear alloys
Not Available
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Effect of aging and α’ segregation on oxidation and electrochemical behavior of FeCrAl alloys
Not provided.
Materials Science↗
Microstructure dependent burst behavior of oxide dispersion–strengthened FeCrAl cladding
Not Available
36 MATERIALS SCIENCE↗
Emerging Magnetic Interactions in van der Waals Heterostructures
Vertical van der Waals (vdWs) heterostructures based on layered materials are attracting interest as a new class of quantum materials, where interfacial charge-transfer coupling can give rise to fascinating strongly correlated phenomena. Transition metal chalcogenides are a particularly exciting material family, including ferromagnetic semiconductors, multiferroics, and superconductors. Here, we report the growth of an organic–inorganic heterostructure by intercalating molecular electron donating bis(ethylenedithio)tetrathiafulvalene into (Li,Fe)OHFeSe, a layered material in which the superconducting ground state results from the intercalation of hydroxide layer. Molecular intercalation in this heterostructure induces a transformation from a paramagnetic to spin-glass-like state that is sensitive to the stoichiometry of molecular donor and an applied magnetic field. Besides, electron-donating molecules reduce the electrical resistivity in the heterostructure and modify its response to laser illumination. In conclusion, this hybrid heterostructure provides a promising platform to study emerging magnetic and electronic behaviors in strongly correlated layered materials.
36 MATERIALS SCIENCE↗
Using Satellite and ARM Observations to Evaluate Cold Air Outbreak Cloud Transitions in E3SM Global Storm‐Resolving Simulations
Abstract This study examines marine boundary layer cloud regime transition during a cold air outbreak (CAO) over the Norwegian Sea, simulated by a global storm‐resolving model (GSRM) known as the Simple Cloud‐Resolving Energy Exascale Earth System Model Atmosphere Model (SCREAM). By selecting observational references based on a combination of large‐scale conditions rather than strict time‐matched comparisons, this study finds that SCREAM qualitatively captures the CAO cloud transition, including boundary layer growth, cloud mesoscale structure, and phase partitioning. SCREAM also accurately locates the greatest ice and liquid in the mesoscale updrafts, however, underestimates supercooled liquid water in cumulus clouds. The model evaluation approach adopted by this study takes advantages of the existing computational‐expensive global simulations of GSRM and the available observations to understand model performance and can be applied to assessments of other cloud regimes in different regions. Such practice provides valuable guidance on the future effort to correct and improve biased model behaviors.
54 ENVIRONMENTAL SCIENCES↗
Physical and behavioral adaptations to prevent overheating of the living wings of butterflies
The wings of Lepidoptera contain a matrix of living cells whose function requires appropriate temperatures. However, given their small thermal capacity, wings can overheat rapidly in the sun. Here we analyze butterfly wings across a wide range of simulated environmental conditions, and find that regions containing living cells are maintained at cooler temperatures. Diverse scale nanostructures and non-uniform cuticle thicknesses create a heterogeneous distribution of radiative cooling that selectively reduces the temperature of structures such as wing veins and androconial organs. These tissues are supplied by circulatory, neural and tracheal systems throughout the adult lifetime, indicating that the insect wing is a dynamic, living structure. Behavioral assays show that butterflies use wings to sense visible and infrared radiation, responding with specialized behaviors to prevent overheating of their wings. Our work highlights the physiological importance of wing temperature and how it is exquisitely regulated by structural and behavioral adaptations.
59 BASIC BIOLOGICAL SCIENCES↗
Quasi-one-dimensional hydrogen bonding in nanoconfined ice
Abstract The Bernal-Fowler ice rules stipulate that each water molecule in an ice crystal should form four hydrogen bonds. However, in extreme or constrained conditions, the arrangement of water molecules deviates from conventional ice rules, resulting in properties significantly different from bulk water. In this study, we employ machine learning-driven first-principles simulations to identify a new stabilization mechanism in nanoconfined ice phases. Instead of forming four hydrogen bonds, nanoconfined crystalline ice can form a quasi-one-dimensional hydrogen-bonded structure that exhibits only two hydrogen bonds per water molecule. These structures consist of strongly hydrogen-bonded linear chains of water molecules that zig-zag along one dimension, stabilized by van der Waals interactions that stack these chains along the other dimension. The unusual interplay of hydrogen bonding and van der Waals interactions in nanoconfined ice results in atypical proton behavior such as potential ferroelectric behavior, low dielectric response, and long-range proton dynamics.
Science & Technology - Other Topics↗
Dynamic substrate reactions during room temperature heavy ion irradiation of CoCrCuFeNi high entropy alloy thin films
Abstract High entropy alloys (HEAs) are promising materials for various applications including nuclear reactor environments. Thus, understanding their behavior under irradiation and exposure to different environments is important. Here, two sets of near-equiatomic CoCrCuFeNi thin films grown on either SiO 2 /Si or Si substrates were irradiated at room temperature with 11.5 MeV Au ions, providing similar behavior to exposure to inert versus corrosion environments. The film grown on SiO 2 had relatively minimal change up to peak damage levels above 500 dpa, while the film grown on Si began intermixing at the substrate–film interface at peak doses of 0.1 dpa before transforming into a multi-silicide film at higher doses, all at room temperature with minimal thermal diffusion. The primary mechanism is radiation-enhanced diffusion via the inverse Kirkendall and solute drag effects. The results highlight how composition and environmental exposure affect the stability of HEAs under radiation and give insights into controlling these behaviors.
36 MATERIALS SCIENCE↗
Crystal structure and orientation of organic semiconductor thin films by microcrystal electron diffraction and grazing-incidence wide-angle X-ray scattering
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99 GENERAL AND MISCELLANEOUS↗
Anomalously abrupt switching of wurtzite-structured ferroelectrics: simultaneous non-linear nucleation and growth model
Ferroelectric polarization switching is one common example of a process that occurs via nucleation and growth, and understanding switching kinetics is crucial for applications such as ferroelectric memory. Here we describe and interpret anomalous switching dynamics in the wurtzite-structured nitride thin film ferroelectrics Al 0.7 Sc 0.3 N and Al 0.94 B 0.06 N using a general model that can be directly applied to other abrupt transitions that proceed via nucleation and growth. When substantial growth and impingement occur while nucleation rate is increasing, such as in these wurtzite-structured ferroelectrics under high electric fields, abrupt polarization reversal leads to very large Avrami coefficients ( e.g., n = 11), inspiring an extension of the KAI (Kolmogorov–Avrami–Ishibashi) model. We apply this extended model to two related but distinct scenarios that crossover between (typical) behavior described by sequential nucleation and growth and a more abrupt transition arising from significant growth prior to peak nucleation rate. This work therefore provides a more complete description of general nucleation and growth kinetics applicable to any system while specifically addressing the anomalously abrupt polarization reversal behavior in new wurtzite-structured ferroelectrics.
36 MATERIALS SCIENCE↗