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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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NASA NTRS1990

GRID2D/3D: A computer program for generating grid systems in complex-shaped two- and three-dimensional spatial domains. Part 1: Theory and method

An efficient computer program, called GRID2D/3D was developed to generate single and composite grid systems within geometrically complex two- and three-dimensional (2- and 3-D) spatial domains that can deform with time. GRID2D/3D generates single grid systems by using algebraic grid generation methods based on transfinite interpolation in which the distribution of grid points within the spatial domain is controlled by stretching functions. All single grid systems generated by GRID2D/3D can have grid lines that are continuous and differentiable everywhere up to the second-order. Also, grid lines can intersect boundaries of the spatial domain orthogonally. GRID2D/3D generates composite grid systems by patching together two or more single grid systems. The patching can be discontinuous or continuous. For continuous composite grid systems, the grid lines are continuous and differentiable everywhere up to the second-order except at interfaces where different single grid systems meet. At interfaces where different single grid systems meet, the grid lines are only differentiable up to the first-order. For 2-D spatial domains, the boundary curves are described by using either cubic or tension spline interpolation. For 3-D spatial domains, the boundary surfaces are described by using either linear Coon's interpolation, bi-hyperbolic spline interpolation, or a new technique referred to as 3-D bi-directional Hermite interpolation. Since grid systems generated by algebraic methods can have grid lines that overlap one another, GRID2D/3D contains a graphics package for evaluating the grid systems generated. With the graphics package, the user can generate grid systems in an interactive manner with the grid generation part of GRID2D/3D. GRID2D/3D is written in FORTRAN 77 and can be run on any IBM PC, XT, or AT compatible computer. In order to use GRID2D/3D on workstations or mainframe computers, some minor modifications must be made in the graphics part of the program; no modifications are needed in the grid generation part of the program. This technical memorandum describes the theory and method used in GRID2D/3D.

Shih, T. I.-P.↗

NASA NTRS1984

First known EL5 chondrite - Evidence for dual genetic sequence for enstatite chondrites

The compositionally distinct EH and EL groups together with four (3-6) petrologic types which constitute the enstatite chondrites represent increasing degrees of metamorphic alteration. Although bulk composition variations preclude a simple conversion of EH4 into EL6 material, complex models which involve simultaneous bulk composition and petrologic type variations may be implied by other classification schemes in common use. Attention is presently given to the discovery of the first EL5 chondrite, which breaks the EH3,4-EH5-EL6 sequence and indicates that the enstatite chondrites constitute the two discrete, isochemical metamorphic sequences EH3-5 and EL5-6.

Sears, D. W. G.↗

DOE OSTI2025

Chemical Imaging of Atmospheric Biomass Burning Particles from North American Wildfires

The effects of biomass burning aerosols (BBA) on radiative forcing and cloud formation depend on chemical composition and the internal structures of individual particles within smoke plumes. To improve our understanding of the chemical and physical properties of BBA emitted at different times of the day and their evolution during atmospheric aging, we conducted a study as a part of the Fire Influence on Regional to Global Environments and Air Quality field campaign. Particle samples were collected onboard a research aircraft from smoke plumes from a wildfire in eastern Oregon during late afternoon and nighttime flights on August 28, 2019. A time-resolved aerosol collector was used to collect samples on substrates for offline spectromicroscopic imaging to investigate the single-particle characteristics of BBA particles. Approximately 20,400 individual particles from 10 selected samples were analyzed using computer-controlled scanning electron microscopy coupled with energy-dispersive X-ray microanalysis, revealing their elemental composition, morphology, and viscosity. Elemental microanalysis indicated that aged potassium is likely found in the form of K 2 SO 4 , KNO 3 , and possible K-organic salts. Further chemical speciation and carbon bonding mapping within individual particles were conducted using synchrotron-based scanning transmission X-ray microscopy (STXM) coupled with near edge X-ray absorption fine structure (NEXAFS) spectroscopy. Real-time, water-soluble light absorption measurements were acquired using a particle-into-liquid sampler instrument coupled to a liquid waveguide capillary cell and total organic analyzer. In the late afternoon samples, 65% of the total particle number population consisted entirely of organic components, compared to 46% in the nighttime particles. These differences were attributed to discrepancies in composition at the time of emission and to the daytime condensation and accumulation of photochemically formed secondary organic material on existing BBA particles, a process that halts at night. Microscopy images indicated that particle viscosity was lower in the nighttime particles (<10 1 Pa·s), likely due to increased relative humidity and a higher contribution from hygroscopic inorganic components. The chemical heterogeneity of individual particles was quantified using STXM-derived mixing state parameters. The nature of carbon bonding within individual particles was inferred from the extent of carbon sp 2 hybridization derived from NEXAFS spectra. Average percentages of sp 2 hybridization range between 40% and 60%, with no noticeable differences between late afternoon and nighttime flights. These findings were compared with the online optical properties of both late afternoon and nighttime smoke plumes, providing valuable insights into the complex relationship between chemical composition and optical properties of BBA particles at different times of the day.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1991

Tiltrotor research aircraft composite blade repairs: Lessons learned

The XV-15, N703NA Tiltrotor Research Aircraft located at the NASA Ames Research Center, Moffett Field, California, currently uses a set of composite rotor blades of complex shape known as the advanced technology blades (ATBs). The main structural element of the blades is a D-spar constructed of unidirectional, angled fiberglass/graphite, with the aft fairing portion of the blades constructed of a fiberglass cross-ply skin bonded to a Nomex honeycomb core. The blade tip is a removable laminate shell that fits over the outboard section of the spar structure, which contains a cavity to retain balance weights. Two types of tip shells are used for research. One is highly twisted (more than a conventional helicopter blade) and has a hollow core constructed of a thin Nomex-honeycomb-and-fiberglass-skin sandwich; the other is untwisted with a solid Nomex honeycomb core and a fiberglass cross-ply skin. During initial flight testing of the blades, a number of problems in the composite structure were encountered. These problems included debonding between the fiberglass skin and the honeycomb core, failure of the honeycomb core, failures in fiberglass splices, cracks in fiberglass blocks, misalignment of mated composite parts, and failures of retention of metal fasteners. Substantial time was spent in identifying and repairing these problems. Discussed here are the types of problems encountered, the inspection procedures used to identify each problem, the repairs performed on the damaged or flawed areas, the level of criticality of the problems, and the monitoring of repaired areas. It is hoped that this discussion will help designers, analysts, and experimenters in the future as the use of composites becomes more prevalent.

Espinosa, Paul S.↗

NASA NTRS1992

Tiltrotor Research Aircraft composite blade repairs - Lessons learned

Espinosa, Paul S.↗

DOE OSTI2024

Melting and solidification dynamics during laser melting of reaction-based metal matrix composites uncovered by in-situ synchrotron X-ray diffraction

Laser additive manufacturing (AM) of reaction-based metal matrix composites (MMCs) involves highly complex and non-equilibrium material transformation behavior, including melting, dissolution, precipitation, and solidification. Yet, the dynamics and interplay of these phase transformation processes remain poorly understood, posing substantial challenges in identifying the microstructure formation mechanism, and predicting and controlling the microstructure in the printed parts. Here, in this study, we performed the in-situ X-ray diffraction experiment to characterize the phase evolution dynamics of the 316L + 10 vol.%TiC system during laser melting, which provides direct and quantitative insights of the complex phase reaction and evolution dynamics under rapid heating and cooling conditions relevant to additive manufacturing of reaction-based MMCs. Further in-depth thermodynamic and kinetic calculations revealed that most of the phase evolution behavior observed in the in-situ X-ray diffraction experiment cannot be solely explained by widely used equilibrium thermodynamic models, and diffusion-controlled nonequilibrium dissolution and precipitation kinetics must be considered to elucidate the complex phase evolution behavior, including incomplete TiC dissolution, and three-step TiC precipitation. The three distinct types of precipitates generate unique hierarchical TiC micro- and nanostructures, which enhances the yield strength from 513 MPa to 877 MPa by 71 %, tensile strength from 628 MPa to 1054 MPa by 68 %, and Young's modulus from 193 GPa to 221 GPa by 14 %. The findings of our research provide the knowledge foundation for the design of unique microstructures and advanced MMC materials through laser AM.

36 MATERIALS SCIENCE↗

NASA NTRS1993

A test of the applicability of independent scattering to high albedo planetary regoliths

We show that 'independent scattering' is a useful approximation for high albedo particles whose size and packing density are similar to typical particles in the lunar regolith. Laboratory measurements of the intensity and linear polarization of light scattered from a laboratory sample of glass spheres of know size and composition are compared to radiative transfer calculations of the same observable quantities. Mie scattering is integrated over the size distribution of the particles to determine the mean phase and polarization functions, or phase matrix, of the particle. Assuming that the particles scatter independently, the 'doubling method' is used to rigorously calculate multiple scattering in an optically thick layer of these anisotropically scattering particles. All of the major features 'predicted' in the calculated intensity (double peaks at small phase angles) and polarization (negative branch at small phase angles, large positive peak near 20 degrees phase, and small polarization elsewhere) are observed in the laboratory measurements, with good quantitative agreement indicated at phase angles less than 90 degrees. Even though the particles are supported by physical contact with each other in the sample, as are the particles in planetary regoliths, the independent scattering calculation yields a good approximation to both the intensity and polarization. The physical parameters input to the calculation are only the size distribution of the particles and their complex index of refraction (composition). Significant advantages of this approach are that the phase matrix is calculated from basic physical principles and both the intensity and polarization are determined simultaneously. This model may have broad applications to the interpretation of photometry, spectroscopy, and polarimetry of the icy regoliths of high albedo satellites. The intent of this effort is to perform a controlled experiment that tests the utility of the independent scattering assumption

Goguen, J. D.↗

NASA NTRS1974

Element concentrations from lunar orbital gamma-ray measurements

We report the concentrations of Th, K, Fe, Mg, and Ti in 28 geographic regions overflown by the Apollo 15 and 16 spacecraft, as determined by gamma-ray spectrometry. The observed chemical compositions are consistent with ground truth, and the two missions give reasonable agreement in a region observed by both. The chemical compositions observed require a more complex model for interpretation than the previously reported radioactivity maps. Both highlands and maria show significant variations in composition. The van de Graaff region is unique; it may possibly be the source region for 'granitic' materials such as rock 12013.

Metzger, A. E.↗

DOE OSTI2025

Delineating the Effects of Counterions on the Structural and Vibrational Properties of U(IV) Lindqvist Polyoxometalate Complexes

Herein we conducted a full investigation into the fundamental structural and vibrational properties of uranium(IV) Peacock−Weakley-type lacunary Lindqvist (W 10 ) polyoxometalate (POM) complexes. We recently demonstrated the importance of the secondary lattice elements in tuning the distortion of the D 4d symmetry in W 10 POM complexes, and here, we synthesized eight UW 10 complexes with different alkali metal counterions and evaluated how the composition and packing of counterion species affected complex structural and vibrational properties. Single-crystal X-ray diffraction analysis on complexes 1−8 revealed changes in structural distortion parameters as a function of differences in counterion configurations, while far-infrared and Raman spectra for 1−8 also demonstrated that vibrational mode frequencies were sensitive to changes in counterion composition and packing. To more effectively compare different counterion configurations, we developed counterion effective ionic radius (eIR) as a new structural parameter, and comparisons between structural distortion parameters and eIR values strongly suggested that modulation by the secondary lattice elements can affect structural and vibrational manifolds within POM complexes. Partial least squares (PLS) analysis was used to quantitatively evaluate correlations observed within this investigation, and PLS statistical models showed a strong correlation between counterion eIR and both structural distortion parameters and vibrational mode frequencies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Developing Open-Source Tools for Increasing the Efficiency of Synthetic Aviation Turbine Fuel Certification Process

FuelLib is an open-source Python-based fuel library, developed by NREL, that leverages the group contribution method (GCM) of [1] to systematically estimate the thermodynamic and transport properties of hydrocarbon fuels. FuelLib predicts these properties based on the molecular structure of individual compounds or compound families, using weight percentages of a fuel's composition, typically measured using techniques such as gas chromatography (GC). FuelLib enables property estimation over a wide range of temperatures and pressures of multi-component fuels in the absence of detailed molecular composition data, making it particularly valuable for complex fuel mixtures where detailed experimental characterization of fuel composition is unavailable. These capabilities contribute directly to synthetic aviation turbine fuels (SATF) development, supporting the short-term American Society for Testing and Materials (ASTM) qualification of drop-in fuels while potentially expanding ASTM boundaries to certify a broader range of fuels.

33 ADVANCED PROPULSION SYSTEMS↗

NASA NTRS1993

Pressurized Shell Molds For Metal-Matrix Composites

Balanced-pressure molds used to make parts in complex shapes from fiber-reinforced metal-matrix composite materials. In single step, molding process makes parts in nearly final shapes; only minor finishing needed. Because molding pressure same on inside and outside, mold does not have to be especially strong and can be made of cheap, nonstructural material like glass or graphite. Fibers do not have to be cut to conform to molds. Method produces parts with high content of continuous fibers. Parts stiff but light in weight, and coefficients of thermal expansion adjusted. Parts resistant to mechanical and thermal fatigue superior to similar parts made by prior fabrication methods.

Kashalikar, Uday K.↗

NASA NTRS1990

GRID2D/3D: A computer program for generating grid systems in complex-shaped two- and three-dimensional spatial domains. Part 2: User's manual and program listing

An efficient computer program, called GRID2D/3D, was developed to generate single and composite grid systems within geometrically complex two- and three-dimensional (2- and 3-D) spatial domains that can deform with time. GRID2D/3D generates single grid systems by using algebraic grid generation methods based on transfinite interpolation in which the distribution of grid points within the spatial domain is controlled by stretching functions. All single grid systems generated by GRID2D/3D can have grid lines that are continuous and differentiable everywhere up to the second-order. Also, grid lines can intersect boundaries of the spatial domain orthogonally. GRID2D/3D generates composite grid systems by patching together two or more single grid systems. The patching can be discontinuous or continuous. For continuous composite grid systems, the grid lines are continuous and differentiable everywhere up to the second-order except at interfaces where different single grid systems meet. At interfaces where different single grid systems meet, the grid lines are only differentiable up to the first-order. For 2-D spatial domains, the boundary curves are described by using either cubic or tension spline interpolation. For 3-D spatial domains, the boundary surfaces are described by using either linear Coon's interpolation, bi-hyperbolic spline interpolation, or a new technique referred to as 3-D bi-directional Hermite interpolation. Since grid systems generated by algebraic methods can have grid lines that overlap one another, GRID2D/3D contains a graphics package for evaluating the grid systems generated. With the graphics package, the user can generate grid systems in an interactive manner with the grid generation part of GRID2D/3D. GRID2D/3D is written in FORTRAN 77 and can be run on any IBM PC, XT, or AT compatible computer. In order to use GRID2D/3D on workstations or mainframe computers, some minor modifications must be made in the graphics part of the program; no modifications are needed in the grid generation part of the program. The theory and method used in GRID2D/3D is described.

Bailey, R. T.↗

NASA NTRS2011

Modeling the Inner Magnetosphere: Radiation Belts, Ring Current, and Composition

The space environment is a complex system defined by regions of differing length scales, characteristic energies, and physical processes. It is often difficult, or impossible, to treat all aspects of the space environment relative to a particular problem with a single model. In our studies, we utilize several models working in tandem to examine this highly interconnected system. The methodology and results will be presented for three focused topics: 1) Rapid radiation belt electron enhancements, 2) Ring current study of Energetic Neutral Atoms (ENAs), Dst, and plasma composition, and 3) Examination of the outflow of ionospheric ions. In the first study, we use a coupled MHD magnetosphere - kinetic radiation belt model to explain recent Akebono/RDM observations of greater than 2.5 MeV radiation belt electron enhancements occurring on timescales of less than a few hours. In the second study, we present initial results of a ring current study using a newly coupled kinetic ring current model with an MHD magnetosphere model. Results of a dst study for four geomagnetic events are shown. Moreover, direct comparison with TWINS ENA images are used to infer the role that composition plays in the ring current. In the final study, we directly model the transport of plasma from the ionosphere to the magnetosphere. We especially focus on the role of photoelectrons and and wave-particle interactions. The modeling methodology for each of these studies will be detailed along with the results.

Glocer, Alex↗

DOE OSTI2022

Survey of Additive Manufacturing Signatures for the Prevention of Nuclear Proliferation

Improvements in additive manufacturing technologies will enable multiple-material and advanced material capabilities, creating opportunities to improve and expand the nuclear fuel fabrication process. Additive manufacturing can allow fuel to have complex geometries and contain composites of materials that would otherwise be difficult or impossible to make with traditional manufacturing methods. This opportunity also has implications for nuclear proliferation, as nuclear parts may be printed and more easily acquired. Here, we present a survey of additive manufacturing technologies and relevant signatures that could be used to identify processes, materials, or part properties.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2024

Composition-dependent transformation-induced plasticity in Co-based complex concentrated alloys

Not provided.

Materials Science↗

DOE OSTI2020

A perspective on challenges and opportunities in developing high entropy-ultra high temperature ceramics

The emergence of a new class of high entropy ultra-high temperature ceramics (HE-UHTCs) is expected to possess exceptionally superior mechanical, oxidation, and erosion resistance as compared to conventional UHTCs. The improvement in the properties of HE-UHTCs is attributed to the high configurational entropy of the multi-component system stabilized into a single-phase, but with little discussion on entropy contributions. This perspective article presents a viewpoint on the critical scientific question regarding the actual role entropy plays in stabilizing and enhancing the thermo-mechanical properties of a multi-component system. The high throughput first-principle calculations, which can provide the entropy formation ability (EFA) of thermodynamically stable HE-UHTCs, can prove to be valuable toolset to this puzzle. HE-UHTCs show enhancement in the mechanical properties much higher than the predicted rule of the mixture, which cannot traditionally be explained by a mere solid solution formation effect. Additionally, isothermal oxidation studies of HE-UHTCs limited to furnace testing state remarkable oxidation resistance which is attributed to the passivity of complex, layered structure, and composition of the oxide scale. However, whether all the constituents in the HE-UHTC system react simultaneously or preferential oxidation takes place needs to be addressed. To address all these issues, an integrated computational and experimental approach has been postulated towards designing a thermal protection system (TPS) for re-entry applications. Succeeding the approach will provide new opportunities in the compositional space of HE-UHTCs with tailored properties.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Enabling fast discharge of Li-ion batteries via electrolyte formulations for urban air mobility applications

High-power discharge requirements are critical for lithium-ion batteries (LIBs) used in electric Vertical Takeoff and Landing (eVTOL) vehicles that are increasingly considered in urban mobility. This investigation places a particular emphasis on understanding the impact of electrolytes on discharge processes and rate capability. We aim to compare the discharge behavior of LiBs using a conventional electrolyte (Gen 2: 1.2 M LiPF 6 in EC:EMC) and the dual salt LiTFSI-LiBOB-based electrolyte. Here we carefully examine the profiles of charging and discharging, the behavior during extended cycles, impedance spectroscopy results, and the characteristics of the electrode surface. Our research findings demonstrate the complex relationship between the composition of electrolytes and the specific high-power discharge requirements of electric vertical takeoff and landing (eVTOL) systems. This research highlights the importance of customizing electrolyte compositions to optimize energy storage density while simultaneously enabling higher power extraction to enhance performance in short-range electric aviation.

25 ENERGY STORAGE↗

DOE OSTI2020

Volumetric analysis and mesh generation of real and artificial microstructural geometries

Producing a viable finite element mesh of realistic microstructural structural geometry is a critical step in analyzing the thermo-mechanical behavior of complex multi-material composites. Advancements in imaging technology such as micro computed tomography have allowed modelers to access high resolution mesoscale geometries for direct numerical simulation. However, converting from voxel based 3D images to usable finite element meshes has been challenging. A robust method including algorithms and software scripts for generating finite element meshes from 3D imaged microstructures is presented in this paper. It includes a routine for inserting cohesive elements around material interfaces to enable modeling of interface properties including delamination and damage. The algorithms and procedures presented in this method leverage currently available software packages for processing surface based geometry into volume based meshes. In addition to converting real geometry from physical imaging systems, algorithms for producing numerically generated and statistically equivalent microstructural geometry are also included. These artificial microstructures can be a valuable resource for modelers when physical specimens do not exist or are limited in quantity: Method establishes a workflow from voxel data to viable finite element mesh including interface information, and Includes a method for synthetic geometry generation based on metrics from real microstructures.

36 MATERIALS SCIENCE↗