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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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473 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS2026

Diffusion Quantum Monte Carlo Calculation of the Austenite and Martensite Phases of NiTi

NiTi is a promising material for smart and active technologies due to its exhibition of the shape memory effect, superelasticity, and biocompatibility. The shape memory effect is tied to the reversible transition between the austenite and martensite phases. A major research direction is to alloy NiTi with Zr, Hf, Pd, Pt, etc., in order to tune the martensitic transition temperature (MTT). Modeling the MTT from first principles is challenging because the lattice dynamics is complicated by anharmonicity and various low-energy structures. Using density functional theory, the energy difference between the austenite and martensite phases of NiTi varies by up to 100 meV/atom depending on the choice of density functional, which is of the same order of the energy difference itself. Consequently, free energy calculations with different functionals can result in estimates of the MTT that vary by several hundred K. Using diffusion quantum Monte Carlo, we calculated the energy difference between the B2 and B19' structures of NiTi to be 70.9 +- 2.5 meV/atom.

Kevin K Ly↗
NASA NTRS1982

Contaminant characterization of five satellite materials

An extensive laboratory test program was performed to characterize outgassing of five satellite materials. The materials were Chemglaze Z-306 over 9922 primer, M-773 adhesive, multilayer insulation, polyurethane foam, and silverized Teflon. The souces were prepared to the specifications of a typical satellite program. Dynamic thermogravimetric mass loss characteristics of these five materials were obtained in vacuum with a beam microbalance. The temperature of the material was linearly raised from 25 C to over 650 C while monitoring the mass loss, rate of mass loss, temperature, and the composition of the outgassed material by residual gas analysis. Isothermal source emission/capture coefficients/reemission parameters were obtained with an array of quartz crystal microbalances (QCM). A detailed test matrix in which the temperatures of the QCMs (-160 C, - 100 C, -40 C, and +10 C) and the source material (125 C, and 90 C, and 50 C) were varied was performed. The array of QCMs was also used to measure the spatial distribution of the source emission. The effects of vacuum ultraviolet radiation on the deposition and reemission parameters was determined.

J A Muscari↗
NASA NTRSDate not supplied

Evaluation of Particle Degradation of a Ytterbium Disilicate Gas Turbine Coating in a Combustion Environment

Ytterbium disilicate (Yb2Si2O7) is a state-of-the-art topcoat material used in environmental barrier coatings (EBCs) to protect SiC-SiC composites from water vapor corrosion in gas turbine engines. However, it’s degradation by thermochemical and thermomechanical particle interactions may limit its use in next generation engine systems. Several static furnace tests have been performed on Yb2Si2O7 to elucidate methods of degradation, although dynamic testing in an engine-relevant environment has not been carried out. Ultimately, testing and evaluation of materials that incorporates all environmental damage modes will allow for an accurate assessment of long-term durability and operating lifetime. This work details the investigation of particle-induced erosion and corrosion of Yb2Si2O7 in NASA Glenn’s Erosion Burner Rig Facility. Coating durability was investigated as a function of test temperature, particle size, and deposition rate. Thermal cycling was also incorporated into testing to determine the interplay of heating/cooling cycles with particle degradation. Overall, these analyses will be used to determine coating robustness in an engine relevant environment.

Jamesa L Stokes↗
NASA NTRSDate not supplied

Evaluation of Particle Degradation of a Ytterbium Disilicate Gas Turbine Coating in a Combustion Environment

Ytterbium disilicate (Yb2Si2O7) is a state-of-the-art topcoat material used in environmental barrier coatings (EBCs) to protect SiC-SiC composites from water vapor corrosion in gas turbine engines. However, it’s degradation by thermochemical and thermomechanical particle interactions may limit its use in next generation engine systems. Several static furnace tests have been performed on Yb2Si2O7 to elucidate methods of degradation, although dynamic testing in an engine-relevant environment has not been carried out. Ultimately, testing and evaluation of materials that incorporates all environmental damage modes will allow for an accurate assessment of long-term durability and operating lifetime. This work details the investigation of particle-induced erosion and corrosion of Yb2Si2O7 in NASA Glenn’s Erosion Burner Rig Facility. Coating durability was investigated as a function of test temperature, particle size, and deposition rate. Thermal cycling was also incorporated into testing to determine the interplay of heating/cooling cycles with particle degradation. Overall, these analyses will be used to determine coating robustness in an engine relevant environment.

Jamesa L Stokes↗
NASA NTRS1991

Effects of Adverse Weather on Aerodynamics [Les Effets des Conditions Météorologiques Adverses sur I'Aérodynamique]

The 19 technical papers developed for the AGARD Fluid Dynamics Panel (FDP) Specialists' Meeting on "Effects of Adverse Weather on Aerodynamics" held from 28th April—i May 1991 in Toulouse, France are documented in this Conference Proceedings. In addition, introductory material from the Program Chairman and the results of the Round Table Discussion held after the meeting are also included. The FDP organized this meeting to provide a timely review of the progress being made in advancing the state-of-the-art of predicting, simulating, and measuring the effects of icing, anti-icing fluids, and various forms of precipitation on the aerodynamic characteristics of flight vehicles. Topics included results from both theoretical and experimental programs and material related to procedures and regulations for certification and operation. International participation for the meeting included authors from eight nations and representatives from most of the 16 NATO nations.

Precipitation - meteorology↗
DOE OSTI2025

Entanglement properties of SU(2) gauge theory

Understanding how isolated quantum systems thermalize is central to both fundamental physics and the development of quantum technologies. In this Perspective, we present recent and new results on thermalization in nonabelian gauge theory from exact real-time simulations of two-dimensional lattice models. We discuss tests of the eigenstate thermalization hypothesis, entanglement entropy dynamics, the absence of persistent non-thermal states, spectral signatures, and measures of quantum complexity. Our new results include a two-step thermalization process in localized regions and the role of higher gauge field representations. These findings suggest that thermalization in gauge theories may offer a test case for quantum advantage.

information theory and computation↗
NASA NTRSDate not supplied

Laser Beam Welding Benchmark Experiments Performed in Reduced Gravity and Vacuum

Laser beam welding (LBW) is affected by the extreme temperatures, reduced pressure, and reduced gravity present in space environments. Gravity and pressure especially influence its melt pool and solidification dynamics. A compact, modular vacuum chamber adaptable to flight platforms from parabolic to orbital currently hosts an experiment to investigate the combined influence of reduced gravity and pressure on LBW. A swappable cartridge contains a rotating platen on which customizable workpieces can be welded under vacuum, greatly increasing experimental throughput. Instrumentation includes weld and thermal cameras observing the process, thermocouples placed on workpieces, accelerometers, and vacuum sensors. Experimental data gathered during the welding process will be combined with post-flight nondestructive evaluation, metallography, and mechanical testing to provide validation datasets for computational modeling. Phase I of this effort involves a parabolic flight campaign in low gravity while an anticipated Phase II would proceed to in-space demonstration to access extended duration microgravity.

in-space welding↗
DOE OSTI2025

Nuclear quantum effects in molecular liquids across chemical space

Abstract Nuclear quantum effects (NQEs) influence many physical and chemical phenomena, particularly those involving light atoms or occurring at low temperatures. However, their impact has been carefully quantified in few systems-like water-and is rarely considered more broadly. Here we use path-integral molecular dynamics to systematically investigate NQEs on thermophysical properties of 92 organic liquids at ambient conditions. Depending on chemical constitution, we find substantial impact across thermal expansivity, compressibility, dielectric constant, enthalpy of vaporization, and notably molar volume, which shows consistent, positive quantum-classical differences up to 5%; similar, less pronounced trends manifest as isotope effects from deuteration. Using data-driven analysis, we identify three features-molar mass, classical hydrogen density, and classical thermal expansivity-that accurately predict NQEs and facilitate understanding of how characteristics like branching and heteroatom content influence behavior. This work highlights the broad relevance of NQEs in molecular liquids, while also providing a conceptual and practical framework to anticipate their impact.

Science & Technology - Other Topics↗
DOE OSTI2025

Unique Conductivity Behavior in Water-In-Salt Electrolytes Driven by Ion Clusters

Understanding and predicting ion transport in aqueous electrolytes are crucial for advanced energy storage and biophysics, and many emergent technologies yet remain elusive. Herein, we introduce a unified framework to quantitatively describe and predict electrolyte conductivity that shifts from conventional molar concentration-based metrics to a volume fraction-based approach. Through analyzing a variety of electrolyte solutions via this perspective, we observe a universal conductivity peak at a 37% volume fraction. Small-angle X-ray scattering (SAXS) and molecular dynamics (MD) simulations reveal that nanometer-scale ion clusters drive this general behavior. Moreover, key geometric features of the ion transport pathwayssuch as pore size, tortuosity, and connectivityfollow a consistent dependence with respect to the volume fraction, reinforcing the argument for the universal conductivity trend. This paradigm shift opens new avenues for designing high-performance electrolytes and provides transformative insights for advancing studies in many fields, wherein molecular aggregates dictate transport properties.

Nguyen, Huong T. D.↗
DOE OSTI2024

3D Printing ofThermally Responsive Shape Memory LiquidCrystalline Epoxy Networks

Abstract A two-component liquid crystalline epoxy network (LCEN) with shape memory behavior was developed and evaluated as a candidate material for 3D printing. The cure kinetics of the uncured material and the shape memory properties of the cured LCEN were investigated by using parallel plate rheology and dynamic mechanical analysis, respectively. A commercially available fumed silica additive was introduced to the neat, uncured material to improve the rheological properties for 3D printing. The addition of fumed silica was found to increase the yield stress, shear-thinning behavior, and toughness of the uncured epoxy ink. Polarized light microscopy, differential scanning calorimetry, and wide-angle X-ray scattering measurements between the neat and additive-modified LCEN suggested a reduction in liquid crystalline alignment in the modified LCEN, owing to interactions between crystalline domains and fumed silica, which in turn influenced the mechanical behavior. Overall, the additive was found to be successful in preserving the shape memory properties of LCEN while improving its printability.

Chemistry↗
NASA NTRS2026

Controlled Parametric Forcing During Directional Solidification of a Bulk Organic Alloy Under Microgravity

The response of dendritic microstructures to step-like pulling velocity conditions is investigated using microgravity directional solidification experiments conducted on DECLIC-DSI combined with phase-field simulations. Under a constant pulling velocity of 1.5 µm/s, the evolution toward steady-state growth is characterized in terms of primary spacing, dendrite drift, and tip dynamics. For the first time, side-view observations enabled direct measurement of tip radius and sidebranching frequency. When step-like oscillations of the pulling velocity are imposed, the dendritic array exhibits a strongly period-dependent response: short periods lead to rapid tip adaptation, whereas longer periods induce a phase lag between tip position and morphology, resulting in progressive tip flattening and, above a critical period, interface destabilization and dendrite splitting. Quantitative phase-field simulations, including a realistic thermal field and stochastic noise, reproduce the experimental observations and provide insight into the governing mechanisms, highlighting the role of characteristic relaxation times, sequence-dependent effects, and the irreversible reorganization of the microstructure following splitting.

Microgravity↗
NASA NTRS1992

Design of A CVD Reactor for the Deposition of Diamond in A Microgravity Environment

There is a growing body of theoretical and experimental evidence suggesting that the uniformity, rate, adhesion, quality, and other key properties of Chemical Vapor Deposition (CVD) diamond coatings are influenced by the gas mixing kinetics in the thermal plasma environment of the reaction chamber. The implementation of, for example, Microwave Plasma Enhanced Chemical Vapor Deposition (MPECVD) process in microgravity has, thus, been suggested. Such a diamond deposition system, which overcomes the limitations of present systems and which is distiguishable from them by the use of high pressure MPECVD and recirculation of the would be effluent hydrogen and carbon, is described. Given the key fact that there is nothing in the effluent of the MPECVD process that is truly a byproduct or 'waste', the system can, at least in principle, lend itself to being closed loop yet dynamic. The exhaust contains hydrogen and carbon species which can be recirculated to the plasma reactor, that is, since there are no unusable reaction byproducts, the effluent can be fed back to the reaction chamber with no detriment, thus allowing deployment in a microgravity environment.

M L Languell↗
NASA NTRSDate not supplied

Development of a Digital Twin for Electrified Aircraft Powertrain Health Management

The augmentation of aircraft powertrains with electrical power systems is a promising path to reducing aircraft fuel consumption, emissions, and noise. Like conventional propulsion systems, electrified aircraft propulsion (EAP) systems will be subject to wear and tear throughout their lifecycles. System health management for EAP will enable efficient flight and maintenance scheduling, realizing economic, safety, and reliability benefits. A digital twin is, broadly, a dynamically updated virtual representation of an individual physical asset. This paper presents a Kalman filter-based approach for the development of a digital twin for an electrified powertrain and applies the approach to an EAP controls testbed. Measurements from nominal testbed operations are used to update a nonlinear model of the testbed. A Kalman filter is then created and used to identify and isolate anomalous testbed behavior based on measurements from off- nominal operations. Results show that the Kalman filter-based digital twin can monitor individual powertrain components’ health for degradation or other changes in performance. The applicability of the presented digital twin approach to any hybrid- or fully-electrified powertrain is emphasized.

Electrified Aircraft Propulsion↗
DOE OSTI2024

Learning Nonlinear Reduced Models from Data with Operator Inference

This review discusses Operator Inference, a nonintrusive reduced modeling approach that incorporates physical governing equations by defining a structured polynomial form for the reduced model, and then learns the corresponding reduced operators from simulated training data. The polynomial model form of Operator Inference is sufficiently expressive to cover a wide range of nonlinear dynamics found in fluid mechanics and other fields of science and engineering, while still providing efficient reduced model computations. The learning steps of Operator Inference are rooted in classical projection-based model reduction; thus, some of the rich theory of model reduction can be applied to models learned with Operator Inference. This connection to projection-based model reduction theory offers a pathway toward deriving error estimates and gaining insights to improve predictions. Furthermore, through formulations of Operator Inference that preserve Hamiltonian and other structures, important physical properties such as energy conservation can be guaranteed in the predictions of the reduced model beyond the training horizon. This review illustrates key computational steps of Operator Inference through a large-scale combustion example.

Mechanics↗
NASA NTRS2006

Low Temperature Life-Cycle Testing of a Lithium-Ion Battery for Low-Earth-Orbiting Spacecraft

A flight-qualified, lithium-ion (Li-ion) battery developed for the Mars Surveyor Program 2001 Landeris undergoing life-testing at low temperature under a low-Earth-orbit (LEO) profile to assess its capability to provide long term energy storage for aerospace missions. NASA has embarked upon an ambitious course to return humans to the moon by 2015-2020 in preparation for robotic and human exploration of Mars and robotic exploration of the moons of outer planets. Li-ion batteries are excellent candidates to provide power and energy storage for multiple aspects of these missions due to their high specific energy, high energy density, and excellent low temperature performance. Laboratory testing of Li-ion technology is necessary in order to assess lifetime, characterize multi-cell battery-level performance under aerospace conditions, and to gauge safety aspects of the technology. Life-cycle testing provides an opportunity to examine battery-level performance and the dynamics of individual cells in the stack over the entire life of the battery. Data generated through this testing will be critical to establish confidence in the technology for its widespread use in manned and unmanned missions.

Reid, Concha↗
DOE OSTI2026

Sierra/SD - Users Manual - 5.32

Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high-fidelity, validated models used in modal, vibration, static and shock analysis. This document provides a user's guide to the input for Sierra/SD. Details of input specifications for the different solution types, output options, element types and parameters are included.

Beale, Dagny Marie [Sandia National Laboratories (↗
DOE OSTI2026

Mesh-based multiphysics coupling acceleration for fusion neutronics through clustering for fusion blanket applications

Accurate modeling of particle transport within fusion blankets is essential for predicting performance metrics such as heat deposition and the tritium breeding ratio (TBR). However, high-fidelity coupling of thermal fluids from computational fluid dynamics (CFD) to neutronics simulations often incurs significant computational costs due to the complexity of surface intersection calculations in Monte Carlo codes. This paper presents an accelerated multiphysics coupling method for neutronics that utilizes hierarchical agglomerative clustering to map complex material property distributions to a neutronics model. Implemented within the fusion reactor design and assessment (FREDA) framework, the method leverages existing Python packages to automate the creation of clustered geometries for OpenMC. The approach is demonstrated on a sector model of an ARC-class tokamak with an immersion molten salt blanket, and an simple geometry with varying isotopic concentrations. Results show that the clustering method significantly reduces computational burden without compromising fidelity, providing a foundation for agile iteration of neutronics simulations involving multiple coupled material properties.

Bae, Jin Whan [ORNL] (ORCID:0000000326548907)↗
NASA NTRS2005

The Cassini/Huygens Doppler Wind Experiment: Results from the Titan Descent

The primary objective of the Doppler Wind Experiment (DWE), one of the six scientific investigations comprising the payload of the ESA Huygens Probe, is a determination of the wind velocity in Titan's atmosphere. Measurements of the Doppler shift of the S-band (2040 MHz) carrier signal to the Cassini Orbiter and to Earth were recorded during the Probe descent in order to deduce wind-induced motion of the Probe to an accuracy better than 1 m s-1. An experiment with the same scientific goal was performed with the Galileo Probe at Jupiter. Analogous to the Galileo experience, it was anticipated that the frequency of the Huygens radio signal could be measured on Earth to obtain an additional component of the horizontal winds. Specific secondary science objectives of DWE include measurements of: (a) Doppler fluctuations to determine the turbulence spectrum and possible wave activity in the Titan atmosphere; (b) Doppler and signal level modulation to monitor Probe descent dynamics (e.g., spinrate/spinphase, parachute swing); (c) Probe coordinates and orientation during descent and after impact on Titan.

M K Bird↗