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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Atomic-scale secondary electron imaging for heterogeneous catalysis research

Surface characterization at the atomic scale is essential for understanding the catalytic properties of supported metal nanoparticles. Secondary electron (SE) imaging in scanning transmission electron microscopy (STEM) provides three-dimensional surface topographic information, enabling the characterization of the size, morphology, and distribution of supported nanoparticles. Furthermore, real-time observation of catalyst materials in a gaseous environment would enhance the understanding of catalyst dynamics under operational conditions. Ongoing technical developments in SE-STEM and advancements in computational methods are expected to facilitate atomic-scale surface observations and enable more quantitative and statistical analyses. This progress will not only elucidate fundamental mechanisms at the atomic level but also provide comprehensive and universal insights into catalyst performances. Here, this minireview showcases the recent advancements and research findings in surface-sensitive SE imaging in STEM for the characterization of active catalyst materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling as Catalysts for Next-Generation Breakthroughs

The Presidential Symposium (PRES) at the 2025 Fall Meeting, hosted by the President’s Office and Energy and Fuels Division, American Chemical Society (ACS) in Washington, DC, brought together a diverse group of chemists, engineers, and materials scientists working in battery materials & systems, automation and artificial intelligence from academia, industry, and national laboratories. The accelerating demand for high-performance, scalable, and sustainable energy storage has catalyzed a paradigm shift in how materials are dis-covered, devices are engineered, and systems are optimized. This Presidential Symposium, entitled “Revolutionizing Energy Storage: AI, Automation, and Advanced Modeling Driving Next-Gen Breakthroughs”, brings together global leaders to unveil transformative strategies anchored in the AAA framework: Artificial Intelligence, Automation, and Advanced Modeling. Artificial Intelligence is redefining the frontiers of energy storage by enabling predictive design, real-time optimization, and intelligent control across diverse chemistries and architectures. Automation is streamlining the synthesis, characterization, and testing of battery materials, dramatically accelerating innovation cycles and unlocking scalable solutions for grid and mobility applications. Advanced Modeling, spanning atomic to system-level scales, provides unprecedented insight into electrochemical dynamics, degradation pathways, and thermal behavior, particularly when coupled with physics-informed machine learning and digital twin technologies. Digital twins, in turn, leverage the AAA framework by integrating real-time data, physics-based models, and AI predictions into dynamic virtual replicas, enabling proactive diagnostics, optimization, and system resilience. Together, these synergistic pillars are not only re-shaping the scientific landscape but also forging a new era of reproducible, data-driven, and resilient energy storage innovation. In conclusion, this symposium marks a pivotal moment in the convergence of computational intelligence and experimental rigor, charting the course for next-generation breakthroughs in lithium-ion, solid-state, and flow battery technologies.

Artificial Intelligence (AI)↗
DOE OSTI2025

Advancements in Constitutive Model Calibration: Leveraging the Power of Full‐Field DIC Measurements and In Situ Load Path Selection for Reliable Parameter Inference

Accurate material characterization and model calibration are essential for computationally supported high-consequence engineering decisions. Historically, characterization and calibration methods (1) use simplified test specimen geometries and global data, (2) cannot guarantee that sufficient characterization data are collected for a specific model of interest, (3) use deterministic methods that provide best-fit parameter values with no uncertainty quantification, and (4) are sequential, inflexible, and time-consuming. This work brings together several recent advancements into an improved workflow called interlaced characterization and calibration (ICC) that advances the state-of-the-art in constitutive model calibration. The ICC paradigm (1) employs tools to efficiently use full-field data to calibrate high-fidelity material models, (2) aligns the data needed with the data collected by adopting an optimal experimental design protocol, (3) quantifies parameter uncertainty through Bayesian inference and (4) incorporates these advancements into a quasi real-time feedback loop. The ICC framework is demonstrated here on the calibration of a material model using simulated full-field data for an aluminium cruciform specimen being deformed biaxially. The cruciform is actively driven through the myopically preferred load path using Bayesian optimal experimental design, which selects load steps that yield the maximum expected information gain (EIG). Principal component analysis (PCA) is performed on the model predictions of full-field displacements, and fast surrogate models are built to approximate the input-output relationships of the expensive finite element model. Furthermore, the tools developed and demonstrated here show that high-fidelity constitutive models can be efficiently and reliably calibrated with quantified uncertainty, thus supporting credible decision-making and potentially increasing the agility of solid mechanics modelling by enabling utilization of computational simulations at earlier stages of the design cycle.

Bayesian optimal experimental design↗
NASA NTRSDate not supplied

Enabling Nuclear and Solar Thermal Propulsion with the Computational Laboratory: Faster and Cheaper Materials Characterization

Nuclear and solar thermal propulsion offer enhanced efficiencies for in-space travel which may open up the outer Solar System to both crewed and automated craft. However, these advanced propulsion systems require cutting-edge materials which are often not easily tested in the laboratory. Ab initio thermodynamics and other computational methods offer a way to test materials at high pressures and temperatures more quickly, and with reduced cost. Here, several case studies are presented which highlight the utility of modern simulation techniques. First, an extensive thermodynamic study was performed at the ab initio level to elucidate the role of hot hydrogen flow on the erosion of four refractory carbides to examine their appropriateness for use as channel coatings. A detailed analysis of reaction products informs estimates of erosion which are validated in comparison with heritage NERVA data. Specific material suggestions are made for both nuclear and solar designs. Secondly, we examined the mechanical behavior and chemical stability of various components of an idealized nuclear cermet core design using techniques spanning from the atomic to microscale. Next, the mechanical and chemical behavior of tungsten (a potential matrix material) and the stability of uranium mononitride (a potential ceramic fuel element), are characterized in the presence of hydrogen and at elevated temperatures with ab initio thermodynamics. Finally, the mechanical response and failure of tungsten under tensile strain is simulated at the micron scale with a combined finite element and dislocation dynamics approach. The resultant stress-strain data agrees well with experiments and leads to a workflow which can incorporate ab initio thermodynamic data into micron-scale simulations and thus provide real-world relevant estimates of erosion and stress-strain behavior. The power of this framework and our plans to use it in the future will be discussed.

William C Tucker↗
DOE OSTI2023

AGC-2 Specimen Post Irradiation Data Package Report

This report documents results of the post-irradiation examination material property testing of the creep, control, and piggyback specimens from the irradiation creep capsule Advanced Graphite Creep (AGC)-2 are reported. This is the second of a series of six irradiation test trains planned as part of the AGC experiment to fully characterize the neutron irradiation effects and radiation creep behavior of current nuclear graphite grades. The AGC-2 capsule was irradiated in the Idaho National Laboratory Advanced Test Reactor at a nominal temperature of 600°C and to a peak dose of 5 dpa (displacements per atom). One half of the creep specimens were subjected to mechanical stresses (an applied stress of either 13.8, 17.2, or 20.7 MPa) to induce irradiation creep. All post-irradiation testing and measurement results are reported with the exception of the irradiation mechanical strength testing, which is the last destructive testing stage of the irradiation testing program. Material property tests were conducted on specimens from 15 nuclear graphite grades using a similar loading configuration as the first AGC capsule (AGC-1) to provide easy comparison between the two capsules. However, AGC-2 contained an increased number of specimens (i.e., 487 total specimens irradiated) and replaced specimens of the minor grade 2020 with the newer grade 2114. The data reported include specimen dimensions for both stressed and unstressed specimens to establish the irradiation creep rates, mass and volume data necessary to derive density, elastic constants (Young’s modulus, shear modulus, and Poisson’s ratio) from ultrasonic time of flight velocity measurements, Young’s modulus from the fundamental frequency of vibration, electrical resistivity, and thermal diffusivity and thermal expansion data from 100–500°C. No data outliers were determined after all measurements were completed. A brief statistical analysis was performed on the irradiated data and a limited comparison between pre- and post-irradiation properties is presented. A more complete evaluation of trends in the material property changes, as well as irradiation-induced creep due to irradiation, temperature, and applied load on specimens will be discussed in later AGC-2 post-irradiation examination analysis reports.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1992

Ultrasonic nondestructive characterization of composites with 3-dimensional architectures

The development and implementation of advanced composite material systems and their associated technologies are critical for success in the highly competitive world aerospace market. Acceptance of advance production methods and field support of structures made with these new materials require the development of quantitative, cost-effective, inspection methods. The results of quantitative ultrasonic through-transmission imaging of composites with complex three-dimensional architecture using phase-insensitive and phase-sensitive techniques are presented.

Miller, James G.↗
NASA NTRS2004

Lamb Wave Stiffness Characterization of Composites Undergoing Thermal-Mechanical Aging

The introduction of new, advanced composite materials into aviation systems requires a thorough understanding of the long term effects of combined thermal and mechanical loading upon those materials. Analytical methods investigating the effects of intense thermal heating combined with mechanical loading have been investigated. The damage mechanisms and fatigue lives were dependent on test parameters as well as stress levels. Castelli, et al. identified matrix dominated failure modes for out-of-phase cycling and fiber dominated damage modes for in-phase cycling. In recent years, ultrasonic methods have been developed that can measure the mechanical stiffness of composites. To help evaluate the effect of aging, a suitably designed Lamb wave measurement system is being used to obtain bending and out-of-plane stiffness coefficients of composite laminates undergoing thermal-mechanical loading. The system works by exciting an antisymmetric Lamb wave and calculating the velocity at each frequency from the known transducer separation and the measured time-of-flight. The same peak in the waveforms received at various distances is used to measure the time difference between the signals. The velocity measurements are accurate and repeatable to within 1% resulting in reconstructed stiffness values repeatable to within 4%. Given the material density and plate thickness, the bending and out-of-plane shear stiffnesses are calculated from a reconstruction of the dispersion curve. A mechanical scanner is used to move the sensors over the surface to map the time-of-flight, velocity, or stiffnesses of the entire specimen. Access to only one side of the material is required and no immersion or couplants are required because the sensors are dry coupled to the surface of the plate. In this study, the elastic stiffnesses D(sub 11), D(sub 22), A(sub 44), and A(sub 55) as well as time-of-flight measurements for composite samples that have undergone combined thermal and mechanical aging for a duration of 10,000 hours are reported.

Seale, Michael D.↗
NASA NTRS2026

Development, Characterization, and Validation of Elevated-Temperature Constitutive Models: Deformation and Damage

This report provides a brief review of experimentally observed hereditary and nonhereditary material behavior along with background information on standard as well as advanced internal state variable constitutive modeling at elevated temperature. A description of exploratory, characterization, and validation testing is presented along with a detailed outline of what constitutes “sufficient” data content (i.e., quality and quantity) for developing or enhancing, characterizing, and validating a particular sophisticated nonlinear time- and history-dependent (hereditary) class of constitutive models known as GVIPS (generalized viscoplasticity with potential structure). The tests described are necessary to reveal a material’s behavior in the reversible (or viscoelastic) and irreversible (or viscoplastic) regimes, for the identification of both deformation and damage model parameters. Results presented are primarily for metallic materials. In all cases, both uniaxial and multiaxial tests are described, and the linkage between the specific tests and the parameters within the model that can be characterized from the results of these tests are also discussed. Discussion is also provided relative to the role information management must play relative to material data collection, analysis, maintenance, and dissemination. The need for such an information system is particularly important as both analyst and designer move toward utilizations of sophisticated, nonlinear time- and history dependent (hereditary) constitutive models. Lastly, the concept of state space and its utility in understanding and establishing constitutive models is addressed throughout. The intent behind this document is to help both the modeler and experimentalist understand each other’s specific points of view and provide guidance for both model development and characterization. Emphasis has been placed on providing the mechanician with information regarding how tests are performed and what issues to be aware of when interpreting results. It is hoped that experimentalists will take away a new perspective on the types of information that modelers and analysts are looking for from them.

Constitutive Modeling↗
DOE OSTI2022

Daylight simulation workflows incorporating measured bidirectional scattering distribution functions

Daylight predictions of architectural spaces depend on good estimates of light transfer through skylights, windows and other fenestration systems. For clear glazing and painted surfaces, parametric transmission and reflection models have proven adequate, but there are many cases where light-scattering, semi-specular shading and daylighting materials defy simple characterization. Something as commonplace as fabric roller shades and venetian blinds may turn daylight prediction into guesswork, and numerous advanced systems on the market tuned specifically to enhance daylight are not sufficiently characterized to distinguish their performance. In this paper, we describe new tools available to handle novel and specialized fabrics, materials, and devices using data-driven modelling of bi-directional scattering distribution functions (BSDFs). These representations are usually tabulated at constant or adjustable angular resolution for efficient point-in-time and annual daylight simulations. We describe a variety of BSDF simulation workflows, including some of the tools and methods that make advanced analysis possible, and highlight some of the current challenges. We conclude with a discussion of future work and how such data might be created and shared worldwide.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

TEM Characterization of Neutron Irradiated HfAl3-Al Composite Specimens

Particles comprised of a thermal neutron absorbing material (HfAl3) are dispersed in a metal matrix material with high thermal conductivity (aluminum) to conduct the heat generated by neutron capture away from the fuel and materials. This metal matrix composite is very promising for use as a conduction-cooled neutron absorber and has the potential to be useful as a shroud or heat sink for testing advanced fast reactor fuels and materials in an existing thermal reactor. To design and optimize the absorber block system for advanced reactor designs, fundamental understanding of the irradiation effect on material properties is necessary. This dataset contains TEM characterization results of neutron irradiated HfAl3-Al composite specimens. It is focused on the irradiation induced defects (dislocation lines and loops) characterization using the on-zone axis bright field STEM technique. This data was collected using a FEI Tecnai G2 F30 S/TEM at the Microscopy and Characterization Suite (MaCS), Center for Advanced Energy Studies (CAES).

Guillen, Donna↗
DOE OSTI2024

TEM Characterization of Neutron Irradiated HfAl3-Al Composite Specimens

Particles comprised of a thermal neutron absorbing material (HfAl3) are dispersed in a metal matrix material with high thermal conductivity (aluminum) to conduct the heat generated by neutron capture away from the fuel and materials. This metal matrix composite is very promising for use as a conduction-cooled neutron absorber and has the potential to be useful as a shroud or heat sink for testing advanced fast reactor fuels and materials in an existing thermal reactor. To design and optimize the absorber block system for advanced reactor designs, fundamental understanding of the irradiation effect on material properties is necessary. This dataset contains TEM characterization results of neutron irradiated HfAl3-Al composite specimens. It is focused on the irradiation induced defects (dislocation lines and loops) characterization using the on-zone axis bright field STEM technique. This data was collected using a FEI Tecnai G2 F30 S/TEM at the Microscopy and Characterization Suite (MaCS), Center for Advanced Energy Studies (CAES).

Guillen, Donna↗
DOE OSTI2025

Recent Progress in Solid‐State Lithium Batteries through Cathode Microstructure Engineering

A high‐performance cathode is necessary to realize the great potentials of solid‐state batteries such as high energy density and long cycle life. It is also needed to validate electrolyte performance, which is lacking. Currently, cathodes for solid‐state batteries are thinner and have lower cathode active material content than their lithium‐ion battery counterpart, resulting from insufficient conductivity and limiting the battery energy density. This review article provides an overview of recent development in cathode microstructures and their impact on battery properties, including compatibility between cathode and electrolyte, cathode architecture design, interface engineering, correlation between material properties, cathode processing approaches, and performance, as well as the advanced characterization methods used to understand the above correlations . Some perspectives on future development are shared including utilizing in situ and operando characterization tools to better understand dynamic evolution of the cathode/electrolyte interface, adapting artificial intelligence and machine learning to design and optimize cathode structures. The article is aimed to promote research interest on cathode development and advance solid‐state battery technologies.

cathode engineering↗
DOE OSTI2022

Nanoindentation mapping defects filtration for heterogeneous materials using generative adversarial networks

Advanced composite materials with multiple phases and heterogeneous microstructure necessitate spatial mapping characterization of elastic modulus to develop constitutive relations and overall mechanical response. Such modulus mapping can be obtained using the nanoindentation technique, where the indenter tip raster over the selected microstructure region. Typically, a surface preparation procedure is done in the specimens to ensure proper contact between the indenter tip and sample surface. However, a near-perfect surface finish is unachievable in heterogeneous materials, primarily with ceramic reinforcements, due to the differential material removal rate during polishing. Thus, the nanoindenter records localized erroneous measurements due to differences in surface roughness and corresponding force response. This study establishes a novel deep learning-based strategy to rectify incorrect experimental spatial measurements acquire during nanoindentation modulus mapping. Here, the integrated bicubic interpolation and generative adversarial networks (GANs) model was trained using 14 ceramic and 18 metallic data sets, each comprising 65,536 measurements. The developed algorithm was validated against experimental measurements on four unknown specimens. The standard deviation in measured elastic modulus reduces by ~50% in ceramics and ~72% in metallic samples. This computational framework proposes a novel approach to reducing uncertainty in materials’ properties using state-of-the-art computer vision techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2026

High-energy synchrotron X-ray multimodal computed tomography: enabling multiscale materials characterization at NSLS-II

We report the commissioning of a multimodal computed tomography experimental setup at the 28-ID-2 (XPD) beamline of the National Synchrotron Light Source II. This high-energy (>60 keV) resource features a tunable X-ray beam size ranging from several millimetres to a few micrometres and enables comprehensive characterization of high-Z materials—an essential capability for nuclear and advanced materials research. It provides four complementary computed tomography modalities: X-ray absorption, X-ray fluorescence, X-ray diffraction, and pair distribution function tomography. A case study using a custom-made heterogeneous sample demonstrates these abilities to simultaneously capture atomic, elemental, and morphological information. This unique combination of imaging, structural, and chemical sensitive methods provides a holistic approach to study complex materials with amorphous and crystalline systems across multiple length scales.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Review of High‐Speed Digital Image Correlation: Advancements and Good Practices

This paper reviews the current state of the art in high‐speed (HS) and ultrahigh‐speed (UHS) digital image correlation (DIC) techniques, emphasizing their critical role in experimental research across various scientific domains. HS and UHS DIC have evolved significantly, driven by advancements in camera systems, image processing algorithms and experimental methodologies. These developments have opened new avenues for capturing and analysing dynamic events with unprecedented temporal and spatial detail, but not without introducing challenges such as optical distortions, motion blur and lighting issues that can affect measurement quality. This review advocates for standardized reporting practices in HS/UHS DIC methodologies to improve reproducibility and reliability across studies, drawing on guidelines from the International Digital Image Correlation Society (iDICs). Through a comprehensive analysis of over 150 articles, this review identifies key advancements in imaging technology and their application in six research domains: material characterization, test development, fracture mechanics, model validation, ballistic and explosive phenomena assessment and measurement uncertainties. Distinctions between two‐dimensional (2D) and stereo‐DIC applications are explored, offering insights into their practical implementation and trade‐offs. Good practices for HS/UHS DIC applications are proposed along with suggestions for future directions for this evolving field, highlighting the indispensable role of technological innovation in expanding the capabilities of optical metrology.

experimental mechanics↗
NASA NTRS1980

Concepts and techniques for ultrasonic evaluation of material mechanical properties

Ultrasonic methods that can be used for material strength are reviewed. Emergency technology involving advanced ultrasonic techniques and associated measurements is described. It is shown that ultrasonic NDE is particularly useful in this area because it involves mechanical elastic waves that are strongly modulated by morphological factors that govern mechanical strength and also dynamic failure modes. These aspects of ultrasonic NDE are described in conjunction with advanced approaches and theoretical concepts for signal acquisition and analysis for materials characterization. It is emphasized that the technology is in its infancy and that much effort is still required before the techniques and concepts can be transferred from laboratory to field conditions.

Vary, A.↗
NASA NTRS1987

Fluoride salts and container materials for thermal energy storage applications in the temperature range 973 to 1400 K

Multicomponent fluoride salt mixtures were characterized for use as latent heat of fusion heat storage materials in advanced solar dynamic space power systems with operating temperatures in the range of 973 to 1400 K. The melting points and eutectic composition for many systems with published phase diagrams were verified, and several new eutectic compositions were identified. Additionally, the heats of fusion of several binary and ternary eutectics and congruently melting intermediate compounds were measured by differential scanning calorimetry. The extent of corrosion of various metals by fluoride melts was estimated from thermodynamic considerations, and equilibrium conditions inside a containment vessel were calculated as functions of the initial moisture content of the salt and free volume above the molten salt. Preliminary experimental data on the corrosion of commercial, high-temperature alloys in LiF-19.5CaF2 and NaF-27CaF2-36MgF2 melts are presented and compared to the thermodynamic predictions.

Misra, Ajay K.↗