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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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165 records · Page 3

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DOE OSTI2025

Influence of gradation on failure mode of saturated sand at particle scale

Extensive research has been reported in the literature to characterize the failure mode of dry sand using various experimental techniques such as surface optical imaging, photo-elastic materials, three-dimensional (3D) computed tomography (CT), and 3D synchrotron micro-computed tomography (SMT). However, there is a limited literature about the behavior of saturated sand. This paper presents the results of axisymmetric triaxial compression (ATC) experiments that were conducted on saturated sand specimens. The behavior of specimens composed of a uniform sand with grain size between US sieves #40 and #50 is compared to specimens conducted on the same sand that has a wider gradation. 3D SMT technique was used to acquire 3D scans while shearing the specimens to probe localized events that are completely missed or misinterpreted when analyzing ATC measurements based on global standard measurements. The results show a higher effective principal stress ratio (EPSR) for the non-uniform specimen and a thicker shear band when compared to uniform specimen.

Elnur, Mohammed [University of Tennessee]↗

DOE OSTI2024

Adaptive Scalpel Scanning Probe Microscopy for Enhanced Volumetric Sensing in Tomographic Analysis

Controlling nanoscale tip‐induced material removal is crucial for achieving atomic‐level precision in tomographic sensing with atomic force microscopy (AFM). While advances have enabled volumetric probing of conductive features with nanometer accuracy in solid‐state devices, materials, and photovoltaics, limitations in spatial resolution and volumetric sensitivity persist. This work identifies and addresses in‐plane and vertical tip‐sample junction leakage as sources of parasitic contrast in tomographic AFM, hindering real‐space 3D reconstructions. Novel strategies are proposed to overcome these limitations. First, the contrast mechanisms analyzing nanosized conductive features are explored when confining current collection purely to in‐plane transport, thus allowing reconstruction with a reduction in the overestimation of the lateral dimensions. Furthermore, an adaptive tip‐sample biasing scheme is demonstrated for the mitigation of a class of artefacts induced by the high electric field inside the thin oxide when volumetrically reduced. This significantly enhances vertical sensitivity by approaching the intrinsic limits set by quantum tunneling processes, allowing detailed depth analysis in thin dielectrics. The effectiveness of these methods is showcased in tomographic reconstructions of conductive filaments in valence change memory, highlighting the potential for application in nanoelectronics devices and bulk materials and unlocking new limits for tomographic AFM.

36 MATERIALS SCIENCE↗

NASA NTRS1965

Investigation of battery active nickel oxides First quarterly report

X-ray diffraction patterns of nickel-cadmium battery electrodes and stabilization of nickel oxides and hydroxides

ELECTRODE↗

NASA NTRSDate not supplied

Design and Optimization of an Open Rotor Stage

Open rotor propulsors enable greatly increased effective bypass ratios over current aircraft engines, resulting in significantly improved efficiencies. One of the most promising of these geometries is the “open fan”, which consists of a single rotor followed by a single stator. This configuration will be referred to as an “open rotor stage” for design work at NASA. In this work we consider the multidisciplinary design and optimization of an open rotor stage using a variety of 2D and 3D techniques. The 2D aerodynamic techniques used for design include a 2D Trefftz plane method, axisymmetric throughflow, and quasi-3D blade-to-blade CFD. Aerodynamic performance is prioritized, while structural requirements are met and some acoustic considerations are included. Between the rotor, stator, and hub profiles, a total of 101 design variables are used. Differences in the process of designing an open rotor stage vs. designing other high-speed propellers are also discussed. The current design, the NASA Optimized Propulsor for Efficiency and Noise (N-OPEN-1), achieves 84.7% net efficiency as predicted by 3D CFD, with further improvements expected to be possible. This design makes effective use of a slower rotor and a less tip-loaded work distribution than typical single-rotation propellers, allowing the stator to produce 14.8% of the thrust. Laminar flow on the blades was responsible for a 1.7% efficiency benefit and warrants further study.

Open rotors↗

NASA NTRS2026

Design and Optimization of an Open Rotor Stage

turbomachinery↗

DOE OSTI2026

Revealing the Hidden Third Dimension of Point Defects in Two-Dimensional MXenes

Point defects govern many important functional properties of two-dimensional (2D) materials. However, resolving the three-dimensional (3D) arrangement of these defects in multi-layer 2D materials remains a fundamental challenge, hindering rational defect engineering. Here, we overcome this limitation using an artificial intelligence-guided electron microscopy workflow to map the 3D topology and clustering of atomic vacancies in Ti3C2TX MXene. Our approach reconstructs the 3D coordinates of vacancies across hundreds of thousands of lattice sites, generating robust statistical insight into their distribution that can be correlated with specific synthesis pathways. This large-scale data enables us to classify a hierarchy of defect structures-from isolated vacancies to nanopores-revealing their preferred formation and interaction mechanisms, as corroborated by molecular dynamics simulations. This work provides a generalizable framework for understanding and ultimately controlling point defects across large volumes, paving the way for the rational design of defect-engineered functional 2D materials.

2D materials↗

DOE OSTI2024

Theoretical design and performance of three-dimensional, pillared FeS 2 cathodes

Three-dimensional (3D) electrode design can provide improved capacities and rate capabilities over conventional two-dimensional electrodes by enhancing electrical and ionic transport. Here, expanding upon our previous modeling efforts for conversion chemistry lithium-ion batteries, we develop a pseudo-four-dimensional (P4D) approach that is subsequently used to investigate the design of a pillared FeS 2 electrode. The model considers transport in three dimensions with an additional “fourth” dimension corresponding to the solid-state lithium transport within the active material particles. Additionally, we allow for expansion of the active material during the conversion reaction to understand how internal stresses impact the electrochemical performance of the cell. By optimizing the model with respect to areal capacity, we are able to predict areal capacities up to 16.8 mAh/cm 2 for an areal current density of 1.78 mA/cm 2 and a 103% improvement for the three-dimensional electrodes over planar electrodes of equal volume. Despite the promising results, our simulations suggest that 3D design may be difficult for conversion cathode materials due to the large internal stresses that arise during conversion. Nevertheless, the model is robust and adaptable to other materials that may be more suitable for 3D electrodes due to a lesser change in volume during discharge.

Conversion cathode materials↗

DOE OSTI2025

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↗

DOE OSTI2025

Bridging Additive Manufacturing and Electronics Printing in the Age of AI

Printing techniques have been instrumental in developing flexible and stretchable electronics, including organic light-emitting diode displays, organic thin film transistor arrays, electronic skins, organic electrochemical transistors for biosensors and neuromorphic computing, as well as flexible solar cells with low-cost processes such as inkjet printing, ultrasonic nozzle, roll-to-roll coating. The rise of additive manufacturing provides even more opportunities to print electronics in automated and customizable ways. In this work, we will review the current technologies of printing electronics (including printed batteries, supercapacitors, fuel cells, and sensors), especially with 3D printing. In this age of ongoing AI revolution, the application of AI algorithms is discussed in terms of combining them with 3D printing and electronics printing for a future with automated optimization, sustainable design, and customizable and scalable manufacturing.

Chemistry↗

NASA NTRSDate not supplied

Multiscale Modeling of Fracture Strength in Fibrous Thermal Protection System Materials

This work presents a multiscale modeling approach to predict the fracture strength of fibrous Thermal Protection System (TPS) materials. The model assumes that system failure is initiated at the joints between individual fibers. We investigated three distinct TPS compositions: amorphous silica, alumina and aluminosilicate fibers. Molecular dynamics (MD) simulations were employed to determine the fracture strength values of these fiber joints for both material systems. These fracture strength values were then integrated into simulations of 3D randomly populated fiber structures, where tensile load transfer occurs through the fiber joints. These microscale properties are upscaled through a renormalization approach [1] to predict macroscale tensile strength of 3D random fiber networks, accounting for joint-dominated failure and effective load-bearing area. The study concludes by demonstrating the resulting strength variation as a function of material composition, fiber density, and morphology. We also show validation of results by comparing them against explicit fiber finite element (FE) modeling [2] where fiber joint fracture is represented by cohesive elements.

Jaehyun Cho↗

DOE OSTI2024

Highly Ordered Eutectic Mesostructures via Template‐Directed Solidification within Thermally Engineered Templates

Template-directed self-assembly of solidifying eutectics results in emergence of unique microstructures due to diffusion constraints and thermal gradients imposed by the template. Here, the importance of selecting the template material based on its conductivity to control heat transfer between the template and the solidifying eutectic, and thus the thermal gradients near the solidification front, is demonstrated. Simulations elucidate the relationship between the thermal properties of the eutectic and template and the resultant microstructure. The overarching finding is that templates with low thermal conductivities are generally advantageous for forming highly organized microstructures. When electrochemically porosified silicon pillars (thermal conductivity < 0.3 Wm −1 K −1 ) are used as the template into which an AgCl-KCl eutectic is solidified, 99% of the unit cells in the solidified structure exhibit the same pattern. In contrast, when higher thermal conductivity crystalline silicon pillars (≈100 Wm −1 K −1 ) are utilized, the expected pattern is only present in 50% of the unit cells. The thermally engineered template results in mesostructures with tunable optical properties and reflectances nearly identical to the simulated reflectances of perfect structures, indicating highly ordered patterns are formed over large areas. This work highlights the importance of controlling heat flows in template-directed self-assembly of eutectics.

36 MATERIALS SCIENCE↗

NASA NTRS2005

Chapter 19A – Radar Cross Section

The material in this Section will provide the novice Flight Test Engineer (FTE) with a brief overview of the radar cross section (RCS) concept. Brief details of radar range descriptions, operations, target calibrations, and data reduction are included. It is noted that these range operations concentrate on the "static" test range rather than the much more sophisticated "dynamic" test range. The dynamic test range is what the FTE will probably work with. Radar reflectivity measurement has developed over the last two decades from a relatively simple endeavor involving the measurement of target RCS amplitude statistics to involving wide band, coherent systems that can measure high resolution images of targets as well as, in many cases, the polarization and phasing properties. This rapid growth in RCS technology has occurred because of the increased use of radar in today's commercial and military systems. In general, the goal for commercial systems is to enhance radar reflectivity, whereas the military goal is to reduce radar reflectivity. Also, classification and identification are important for military purposes because in adverse weather radar may be the only system that may be capable of separating enemy targets from friendly ones. This Section will discuss the fundamentals of RCS. Since the flight test techniques associated with RCS measurements are very similar to those of antenna pattern measurements, both will be presented at the same time in Section 19B Antenna Radiation Pattern Measurements.

Robert W Borek↗

DOE OSTI2024

An Overview of Electric Vehicle Load Modeling Strategies for Grid Integration Studies

The adoption of electric vehicles (EVs) has emerged as a solution to reduce greenhouse gas emissions in the transportation sector, which has motivated the implementation of public policies to promote their use in several countries. However, the high adoption of EVs poses challenges for the electricity sector, as it would imply an increase in energy demand and possible impacts on the power quality (PQ) of the power grid. Therefore, it is important to conduct EV integration studies in the power grid to determine the amount that can be incorporated without causing problems and identify the areas of the power sector that will require reinforcements. Accurate EV load patterns are required for this type of study that, through mathematical modeling, reflect both the dynamic behavior and the factors that influence the decision to recharge EVs. This article aims to present an overview of EVs, examine the different factors considered in the literature for modeling EV load patterns, and review modeling methods. EV load modeling methods are classified into deterministic, statistical, and machine learning. The article shows that each modeling method has its advantages, disadvantages, and data requirements, ranging from simple load modeling to more accurate models requiring large datasets.

Computer Science↗

NASA NTRSDate not supplied

Turbo-Design: Open-Source Radial Equilibrium Turbomachinery Solver: Part I - Turbines

Advances in 3D Geometrical Designs and Cooling have played a significant role in improving the efficiency of turbomachinery. However, these advancements must be effectively translated back to the modeler. Machine learning can facilitate this transition. Specifically, machine learning–based loss models can bridge the gap between 3D and 1D designs, enabling modelers not only to predict velocity triangles but also to extract additional geometric features. Currently, the design tools used at NASA have not been updated to support such integration—until now. TurboDesign is an open-source, Python-based framework that replaces TD2 (LEW-11029-1) and AXOD2 (LEW-16323-1), both of which are radial equilibrium solvers for axial turbines. The goal of this update is to enable the integration of machine learning loss models into radial equilibrium equations. Additionally, TurboDesign is designed to support radial machines. This paper presents the governing equations, the assumptions underlying the code, the integration of legacy loss models, an example of machine learning model integration, and a validation comparison with CFD. All code, tutorials, and documentation are available at: https://www.github.com/nasa/turbo-design

Radial Equilibrium↗

DOE OSTI2026

Dissecting Disorder: Defect-Driven Structural Complexity in Layered Li3InCl6 Solid Electrolyte

Halide solid electrolytes have emerged as promising candidates for solid-state batteries owing to their high oxidative stability and ionic conductivity. Among them, Li3InCl6 (LIC) has attracted significant attention. However, diffraction patterns of LIC synthesized via different methods exhibit distinct differences particularly at low-angle reflectionsindicative of underlying structural disorder. These variations are attributed to deviations from ideal crystallographic order, especially stacking faults, whose impact on structure and ion transport remains poorly understood. Here, we identify and quantify stacking faults in LIC samples prepared under different synthetic conditions. Using X-ray diffraction and time-of-flight neutron diffraction, we construct and refine stacking fault models that accurately reproduce the experimental diffraction features. LIC samples with higher degrees of stacking faults exhibit only negligible differences in ionic conductivities and activation energies. This indicates that stacking faults have a limited impact on altering the Li+ diffusion pathway along the c-axis, likely due to the high concentration of vacancies in the In layers, while Li+ diffusion remains nearly unchanged in the ab-plane. Our results account for the observed differences in diffraction patterns across samples and provide a quantitative assessment of faulting probabilities and stacking sequences. The insights gained from this study are expected to be broadly applicable to other layered halide solid electrolytes and contribute to a deeper understanding of the role of structural disorder in ion transport.

Liu, Jue [ORNL] (ORCID:000000024453910X)↗

DOE OSTI2023

Shear and combustion characterization of printable ammonium perchlorate composite propellant formulations

Seven formulations of ammonium perchlorate composite propellant (APCP) are developed and their properties relevant for successful additive manufacture are characterized. Extrusion in a custom-built 3D printing system and spindle viscometry are used to collect viscosity measurements of curing primary and non-curing secondary versions of the formulations. The formulations that behave similarly to a Bingham plastic, with apparent viscosities between 4 and 8 thousand Pa*s at 30 minutes post-mix, are determined to be most suitable for printing applications. Measurements of one material show a yield stress of 1 kPa. Ambient pressure burn rates of 2.0–2.9 mm/s were measured for the compositions tested. All measured burn rates were comparable to the lower end of typical burn rates for APCP. In conclusion, the results of the characterization demonstrate a propellant suitable for use in a 3D printing system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRSDate not supplied

Thermomechanical Modeling of Woven Materials With Particle-Based, Explicit-Fiber Simulations

Fiber-based materials are extensively used to protect spacecraft during entry. Insulative fibers, often in a fiber network or woven, provide rigidity, strength, and control of material anisotropy and density. Woven thermal protection materials, such as ADEPT (Adaptable, Deployable Entry and Placement Technology), 3D-MAT (3-Dimensional Multifunctional Ablative Thermal Protection), and 3MDCP (3D Woven Mid-Density Carbon Phenolic), enable missions with stronger and denser materials for entry profiles with high shear and heat flux. Vulnerabilities to woven thermal protection materials include manufacturing-induced material property variation, and impact from micrometeoroids. Simulating woven materials under these conditions require models that can resolve hierarchal structures, thermomechanical behavior, and failure. To address this, we simulate weave thermal conduction and mechanical deformation. We simulate the full weave with a coarse-grained yarn model is presented. The model combines a validated, high-resolution single 3MDCP yarn model and phenolic resin model. Instead of modeling every fiber, each yarn ply with order 10, instead of order 1000, fibers. The discrete element bonded particle model (DEM-BPM) of fibers captures the thermal and mechanical behavior within and between fibers. We study the proportion of heat transfer and stress via the contact network, fiber bonds, and overall weave geometry.

bonded particle↗

DOE OSTI2025

Li 21 Ge 8 P 3 S 34 : New Lithium Superionic Conductor with Unprecedented Structural Type

Abstract Lithium superionic conductors are pivotal for enabling all‐solid‐state batteries, which aim to replace liquid electrolytes and enhance safety. Herein, we report the discovery of an unprecedented lithium superionic conductor, Li 21 Ge 8 P 3 S 34 , featuring a novel structural type and a new composition in the Li–Ge–P–S system. This material exhibits high lithium ionic conductivity of approximately 1.0 mS cm −1 at 303 K with a low activation energy of 0.20(1) eV. It's unique crystal structure was elucidated using three‐dimensional electron diffraction (3D ED) and further refined through combined powder X‐ray and neutron diffraction analyses. The structure consists of alternating two‐dimensional slabs: one of corner‐sharing GeS 4 tetrahedra and the other of isolated PS 4 tetrahedra, enabling efficient lithium‐ion transport through a tetrahedrally interconnected network of 1D, 2D, and 3D diffusion pathways. This distinctive structural motif provides a novel design strategy for next‐generation solid electrolytes, broadening the structural landscape of lithium superionic conductors. With further advancements in compositional tuning and interfacial engineering, Li 21 Ge 8 P 3 S 34 could contribute to the development of high‐performance all‐solid‐state batteries.

Chemistry↗