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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Realizing the Materials-Designed-To-Environments Promise of Additive Manufacturing Through a Fundamentally Different Approach to Optimization of Nonlinear Solid Mechanics Structures

Additive Manufacturing (AM) is expected to play a large role in the labs-wide goals of accelerating innovation and leading in modern engineering. More specifically, AM is seen as a key enabling technology for increasing the agility of nuclear deterrence and other national security applications involving complex coupled environments. However, the impact of AM on these initiatives has not been as wide-ranging as hoped because – despite its unique qualities – the focus has mostly been on detailed qualification to force AM components into pre-existing performance envelopes. This paradigm fundamentally precludes the novel possibilities afforded by the geometric and material flexibility of AM. In particular, the engineering of small-scale features to undergo buckling and contact can cause large geometric and symmetry changes which provide responsiveness to different environments. Despite almost a decade of observing such behavior, there exists no way to systematically design for AM to exploit it. Our goal for this project was to connect material design to multi-environment component performance by reconceptualizing how to design for AM to exploit the buckling and contact of small-scale features.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Static and dynamic properties of multi-ionic plasma mixtures

Complex plasma mixtures with three or more components are often encountered in astrophysics or in inertial confinement fusion (ICF) experiments. For mixtures containing species with large differences in atomic number Z, the modeling needs to consider at the same time the kinetic theory for low-Z elements combined with the theory of strongly coupled plasma for high-Z elements, as well as all the intermediate situations that can appear in multi-component systems. For such cases, we study the pair distribution functions, self-diffusions, mutual diffusion and viscosity for ternary mixtures at extreme conditions. These quantities can be produced from first principles using orbital free molecular dynamics at the computational expense of very intensive simulations to reach good statistics. Utilizing the first-principles results as reference data, we assess the merit of a global analytic model for transport coefficients, "Pseudo-Ions in Jellium" (PIJ), based on an iso-electronic assumption (iso-n e ). With a multi-component hypernetted-chain integral equation, we verify the quality of the iso-n e prescription for describing the static structure of the mixtures. This semi-analytical modeling compares well with the simulation results and allows one to consider plasma mixtures not accessible to simulations. Further, applications are given for the mix of materials in ICF experiments. A reduction of a multicomponent mixture to an effective binary mixture is also established in the hydrodynamic limit and compared with PIJ estimations for ICF relevant mixtures.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2019

Materials and Processes for New Propulsion Systems with Reduced Environmental Impact

Aeronautics research at NASA Glenn Research Center includes development, characterization and modeling of high temperature, lightweight materials and fabrication processes for aircraft propulsion systems with increased efficiency and reduced emissions, fuel burn and noise. Current propulsion materials research includes Ceramic Matrix Composites and Environmental Barrier Coatings, Polymer Matrix Composites and Additive Manufacturing processes. This presentation will summarize recent progress and plans in these areas. Ceramic Matrix Composites for Turbine Components: As part of NASA's Aeronautics research, Glenn Research Center has developed Ceramic Matrix Composites for 2700 degrees Fahrenheit turbine engine applications in the next generation of ultra-efficient aircraft. In this presentation, the development of advanced fiber and matrix constituents that enabled this advancement will be reviewed, and characterization of the resulting improvements in mechanical properties and durability will be summarized. Progress toward the development and validation of models predicting the effects of the engine environment on durability of Ceramic Matrix Composites and Environmental Barrier Coatings will be summarized. Progress and plans for collaborative research with industry and other government agencies will be reviewed. Polymer Matrix Composites for Powertrain and Impact Protection: A lightweight, hybrid polymer matrix composite/steel gear concept for rotorcraft power transmission applications was evaluated at realistic speed, torque, and power conditions. Dynamic testing was performed at 5000 horsepower and 5400 revolutions per minute with no performance degradation. Test results demonstrated the potential of hybrid composite / metal gears to reduce gear weight by approximately 15 percent, enabling the implementation of multi-speed drive systems, which would otherwise have a weight penalty, for increased speed and efficiency. Results of post-test inspection and endurance tests will be presented. Separately, ballistic impact tests demonstrated improved damage tolerance in polymer matrix composites by incorporating lightweight, thermoplastic veil materials between selected composite plies during the composite fabrication process. Results of impact tests and post-test inspection will be presented. Additive Manufacturing for Electric Propulsion: Additive Manufacturing processes offer the potential to fabricate new, high power density electric motor designs with complex geometries, multi-material components and optimally designed components that would not be feasible with traditional manufacturing processes. High performance stator components using advanced 3-phase conductive coils were fabricated using direct printing with optimized silver pastes. Additional additive manufacturing methods are being used to fabricate rotors and motor housing components. Systems studies show that the higher performance and lower weight motors offer improved energy efficiency and reduced emissions. Improvements to motor performance resulting from optimized materials and component designs will be presented.

Additive Manufacturing↗
DOE OSTI2021

Diversifying Composition Leads to Hierarchical Composites with Design Flexibility and Structural Fidelity

Although significant progress has been made in the self-assembly of nanostructures, present successes heavily rely on precision in building block design, composition, and pair interactions. These requirements fundamentally limit our ability to synthesize macroscopic materials where the likelihood of impurity inclusion escalates and, more importantly, to access molecular-to-nanoscopic-to-microscopic-to-macroscopic hierarchies, since the types and compositions of building blocks vary at each stage. Inspired by biological blends and high-entropy alloys, we hypothesize that diversifying the blend’s composition can overcome these limitations. Increasing the number of components increases mixing entropy, leading to the dispersion of different components and, as a result, enhances interphase miscibility, weakens the dependence on specific pair interactions, and enables long-range cooperativity. This hypothesis is validated in complex blends containing small molecules, block copolymer-based supramolecules, and nanoparticles/colloidal particles. Hierarchically structured composites can be obtained with formulation flexibility in the filler selection and blend composition. It is worth noting that, by adding small molecules, we can solve the size constraint that plagues traditional block copolymer/nanoparticle blends. Detailed characterization and simulation further confirm that each component is distributed to locally mediate unfavorable interactions, cooperatively mitigate composition fluctuations, and retain structural fidelity. Furthermore, the blends have sufficient mobility to access tunable microstructures without compromising the order of the nanostructure. Besides establishing a kinetically viable pathway to release current constraints in the composite design and to navigate uncertainties during structure formation over multiple length scales, the present study demonstrates that entropy-driven behaviors can be realized in systems beyond high-entropy alloys despite inherent differences between metal alloys and organic/inorganic hybrids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2006

A Multi-mission Event-Driven Component-Based System for Support of Flight Software Development, ATLO, and Operations first used by the Mars Science Laboratory (MSL) Project

This paper details an architectural description of the Mission Data Processing and Control System (MPCS), an event-driven, multi-mission ground data processing components providing uplink, downlink, and data management capabilities which will support the Mars Science Laboratory (MSL) project as its first target mission. MPCS is developed based on a set of small reusable components, implemented in Java, each designed with a specific function and well-defined interfaces. An industry standard messaging bus is used to transfer information among system components. Components generate standard messages which are used to capture system information, as well as triggers to support the event-driven architecture of the system. Event-driven systems are highly desirable for processing high-rate telemetry (science and engineering) data, and for supporting automation for many mission operations processes.

Mission Data Processing and Control System (MPCS)↗
DOE OSTI2018

Investigation of Droplet Deposition for Suspensions Usable for Thermoplastic 3D Printing (T3DP)

Thermoplastic 3D printing (T3DP) is an additive manufacturing (AM) technology, which can be used for the production of dense single- and especially multi-material components. This becomes possible because of the combination of the precise deposition of small droplets of molten thermoplastic suspensions containing ceramic or metal particles, and a curing mechanism caused on cool down increasing the viscosity. In this paper, the droplet formation behavior of zirconia suspensions for T3DP (82 and 84 wt.%) was investigated. The droplet fusion factor (dff) is introduced to calculate the necessary distance between two droplets to form filament-like structures by fusion of adjacent droplets. Filament-like structures with a smooth surface and a nearly homogeneous cross section were manufactured for both suspensions with a dff of 44% or higher.

36 MATERIALS SCIENCE↗
DOE OSTI2018

An adaptive least-squares global sensitivity method and application to a plasma-coupled combustion prediction with parametric correlation

We introduce an efficient non-intrusive surrogate-based methodology for global sensitivity analysis and uncertainty quantification. Modified covariance-based sensitivity indices (mCov-SI) are defined for outputs that reflect correlated effects. The overall approach is applied to simulations of a complex plasma-coupled combustion system with disparate uncertain parameters in sub-models for chemical kinetics and a laser-induced breakdown ignition seed. The surrogate is based on an Analysis of Variance (ANOVA) expansion, such as widely used in statistics, with orthogonal polynomials representing the ANOVA subspaces and a polynomial dimensional decomposition (PDD) representing its multi-dimensional components. The coefficients of the PDD expansion are obtained using a least-squares regression, which both avoids the direct computation of high-dimensional integrals and affords an attractive flexibility in choosing sampling points. This facilitates importance sampling using a Bayesian calibrated posterior distribution, which is fast and thus particularly advantageous in common practical cases, such as our large-scale demonstration, for which the asymptotic convergence properties of polynomial expansions cannot be realized due to computation expense. Effort, instead, is focused on efficient finite-resolution sampling. Standard covariance-based sensitivity indices (Cov-SI) are employed to account for correlation of the uncertain parameters. Magnitude of Cov-SI is unfortunately unbounded, which can produce extremely large indices that limit their utility. Alternatively, mCov-SI are then proposed in order to bound this magnitude $\in$ [0, 1]. The polynomial expansion is coupled with an adaptive ANOVA strategy to provide an accurate surrogate as the union of several low-dimensional spaces, avoiding the typical computational cost of a high-dimensional expansion. It is also adaptively simplified according to the relative contribution of the different polynomials to the total variance. Finally, the approach is demonstrated for a laser-induced turbulent combustion simulation model, which includes parameters with correlated effects.

42 ENGINEERING↗
DOE OSTI2020

Adsorption of furan, hexanoic acid, and alkanes in a hierarchical zeolite at reaction conditions: Insights from molecular simulations

Hierarchical zeolites containing both micropores and mesopores are valuable catalysts for facilitating reactions of large molecules. Furan acylation by fatty acids is a promising reaction for valorizing biomass, and the self-pillared pentasil (SPP) zeolite was found to perform particularly well for this reaction. To better understand the distribution of molecules in hierarchical zeolites at the elevated temperature (T = 523 K) and the elevated pressure (p >1 bar) associated with typical reaction conditions, unary and binary adsorption were predicted using Monte Carlo simulations in the isothermal–isobaric Gibbs ensemble. Adsorption of six species (furan, hexanoic acid, -hexane, -decane, -tetradecane, and 3,6-diethyloctane) was investigated from vapor, liquid, and supercritical phases, and loadings into the micropores, onto the mesopore surface, and in the mesopore interior of SPP were obtained. As pressure increases, -alkanes fill the micropores before loading the surface and then the interior of the mesopore, while furan and hexanoic acid adsorb strongly to the mesopore surface due to hydrogen bonding interactions with surface silanols. Hydrogen bonding interactions also draw hexanoic acid molecules in the micropore region toward the pore mouths, so their carboxylic acid group forms H-bonds with silanols, while the alkyl tails interact with the micropore walls. Mesopore condensation is observed for molecules below their critical point, and occurs when the Gibbs free energy of transfer into the mesopore interior and onto the mesopore surface converge. When hexanoic acid adsorption occurs in the presence of alkane solvents, then the selectivity and spatial distribution of hexanoic acid in the micropores and on the surface can be tuned by adjusting the fluid pressure and the alkane length and/or branching.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Novel NiAl-strengthened high entropy alloys with balanced tensile strength and ductility

A single phase, face-centered-cubic (FCC) Al 0.3 CoCrFeNi high entropy alloy usually has low yield strength. Here, a precipitate-strengthened Al 0.3 CoCrFeNi has been developed, exhibiting enhanced yield strength while retaining good ductility, which is attributed to a novel microstructure comprising a finely distributed, needle-like B2 phase within the grains of the FCC matrix and a granular σ phase along the grain boundaries. Such a microstructure was obtained by a two-step heat treatment of an as-cast Al 0.3 CoCrFeNi, whose parameters were determined by integrating CALPHAD-based thermodynamic calculations with microstructural characterization by atom probe tomography. In situ neutron diffraction, in conjunction with crystal-plasticity finite-element simulations, has revealed the strengthening effect owing to the load partitioning between the constituent phases. Here, this work has important implications for understanding phase stability and deformation mechanisms in multi-principal component alloys, and paves the way for developing novel microstructures in complex alloys using correlative techniques.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Rigid-flexible coupling multi-body dynamics modeling of a semi-submersible floating offshore wind turbine

A 14-degree-of-freedom (14-DOF) flexible multibody dynamics model is developed and verified for a semi-submersible floating offshore wind turbine (FOWT). The model considers the coupled dynamics of the platform, tower, nacelle, blades, and mooring subjected to external wind and wave loads. The platform is simplified as a rigid body connected to the seabed by the mooring system. The tower and blade are modeled as flexible cantilever beams. The energy method is used to derive the governing equations of motion, where the kinetic energy, potential energy, and work done by external wind-wave forces are all deduced in a global coordinate system. The 5-MW baseline semi-submersible FOWT is used to verify the derived model against the results simulated from FAST developed by the US National Renewable Energy Laboratory (NREL) at two scenarios: free decay state and different wind-wave load cases. Results show that the established FOWT model can well reflect the vibration characteristics of FAST model. The application of the model to the control of platform pitch with a tuned mass damper is studied. Furthermore, the simplified model could provide a low-order method for the structural dynamics analysis and advanced vibration control design for the multi-body components of the semi-submersible FOWT in the future.

17 WIND ENERGY↗
DOE OSTI2019

Active Thermochemical Tables: The Partition Function of Hydroxymethyl (CH 2 OH) Revisited

The best currently available set of temperature-dependent non-rigid rotor anharmonic oscillator (NRRAO) thermochemical and thermophysical properties of hydroxymethyl radical is presented. The underlying partition function relies on a critically evaluated complement of accurate experimental and theoretical data, and is constructed using a two-pronged strategy that combines contributions from large amplitude motions obtained from direct counts, with contributions from the other internal modes of motion obtained from analytic NRRAO expressions. The contributions from the two strongly coupled large-amplitude motions of CH 2 OH, OH torsion and CH 2 wag, are based on energy levels obtained by solving the appropriate two-dimensional projection of a fully-dimensional potential energy surface that was recently obtained at the CCSD(T)/cc-pVTZ level of theory. The contributions of the remaining seven, more rigid, vibrational modes and of the external rotations are captured by NRRAO corrections to the standard rigid rotor harmonic oscillator (RRHO) treatment, which include corrections for vibrational anharmonicities, rotation-vibration interaction, Coriolis effects, and low-temperature. Here, the basic spectroscopic constants needed for the construction of the initial RRHO partition function rely on experimental ground-state rotational constants and the best available experimental fundamentals, additionally complemented by fundamentals obtained from the variational solution of the full-dimensional potential energy surface using a recently developed two-component multi-layer Lanczos algorithm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Pressure-induced tuning of lattice distortion in a high-entropy oxide

Abstract As a new class of multi-principal component oxides with high chemical disorder, high-entropy oxides (HEOs) have attracted much attention. The stability and tunability of their structure and properties are of great interest and importance, but remain unclear. By using in situ synchrotron radiation X-ray diffraction, Raman spectroscopy, ultraviolet–visible absorption spectroscopy, and ex situ high-resolution transmission electron microscopy, here we show the existence of lattice distortion in the crystalline (Ce 0.2 La 0.2 Pr 0.2 Sm 0.2 Y 0.2 )O 2−δ HEO according to the deviation of bond angles from the ideal values, and discover a pressure-induced continuous tuning of lattice distortion (bond angles) and band gap. As continuous bending of bond angles, pressure eventually induces breakdown of the long-range connectivity of lattice and causes amorphization. The amorphous state can be partially recovered upon decompression, forming glass–nanoceramic composite HEO. These results reveal the unexpected flexibility of the structure and properties of HEOs, which could promote the fundamental understanding and applications of HEOs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Manganese-based A-site high-entropy perovskite oxide for solar thermochemical hydrogen production

Non-stoichiometric perovskite oxides have been studied as a new family of redox oxides for solar thermochemical hydrogen (STCH) production owing to their favourable thermodynamic properties. However, conventional perovskite oxides suffer from limited phase stability and kinetic properties, and poor cyclability. Here, we report a strategy of introducing A-site multi-principal-component mixing to develop a high-entropy perovskite oxide, (La 1/6 Pr 1/6 Nd 1/6 Gd 1/6 Sr 1/6 Ba 1/6 )MnO 3 (LPNGSB_Mn), which shows desirable thermodynamic and kinetics properties as well as excellent phase stability and cycling durability. LPNGSB_Mn exhibits enhanced hydrogen production (~77.5 mmol mol oxide -1 ) compared to (La 2/3 Sr 1/3 )MnO 3 (~53.5 mmol mol oxide -1 ) in a short 1 hour redox duration and high STCH and phase stability for 50 cycles. LPNGSB_Mn possesses a moderate enthalpy of reduction (252.51–296.32 kJ (mol O) -1 ), a high entropy of reduction (126.95–168.85 J (mol O) -1 K -1 ), and fast surface oxygen exchange kinetics. All A-site cations do not show observable valence changes during the reduction and oxidation processes. In conclusion, this research preliminarily explores the use of one A-site high-entropy perovskite oxide for STCH.

08 HYDROGEN↗
DOE OSTI2023

BEYONDPLANCK XIV. Polarized foreground emission between 30 and 70 GHz

We constrain polarized foreground emission between 30 and 70 GHz with the Planck Low Frequency Instrument (LFI) and WMAP data within the global Bayesian BeyondPlanck framework. We combine for the first time full-resolution Planck LFI time-ordered data with low-resolution WMAP sky maps at 33, 40 and 61 GHz. Spectral parameters are fit with a likelihood defined at the native resolution of each frequency channel. This analysis represents the first implementation of true multi-resolution component separation applied to CMB observations for both amplitude and spectral energy distribution (SED) parameters. For synchrotron emission, we approximate the SED as a power-law in frequency and find that the low signal-to-noise ratio of the current data strongly limits the number of free parameters that may be robustly constrained. We partition the sky into four large disjoint regions (High Latitude; Galactic Spur; Galactic Plane; and Galactic Center), each associated with its own power-law index. We find that the High Latitude region is prior-dominated, while the Galactic Center region is contaminated by residual instrumental systematics. The two remaining regions appear to be signal-dominated, and for these we derive spectral indices of $β$ S Spur = -3.17 ± 0.06 and $β$ S Plane = -3.03 ± 0.07, in good agreement with previous results. For thermal dust emission we assume a modified blackbody model and we fit a single power-law index across the full sky. We find $β$ d = 1.64 ± 0.03, which is slightly steeper than reported from Planck HFI data, but still statistically consistent at the 2σ confidence level.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Multicomponent Reactions Among Alkyl Isocyanides, sp Reactants, and sp 2 Carbon Cages

We explored the reactivity and substrate scope of the reactions among an alkyl isocyanide, an sp-hybridized reactant (i.e. alkyne or allene), and a carbon cage, as a new approach to functionalize fullerenes and metallofullerenes. Furthermore, this account summarizes the key findings in our recent published work, and some original data for the reaction involving an isocyanide, allenes, and metallofullerene Lu 3 N@C 80 .

36 MATERIALS SCIENCE↗
DOE OSTI2017

A rigorous full-dimensional quantum dynamics study of tunneling splitting of rovibrational states of vinyl radical C 2 H 3

Here, we report a rigorous quantum mechanical study of the rovibrational energy levels of vinyl radical C 2 H 3 . The calculations are carried out using a real two-component multi-layer Lanczos algorithm in a set of orthogonal polyspherical coordinates based on a recently developed accurate ab initio potential energy surface of C 2 H 3 . All well converged 158 vibrational bands up to 3200 cm -1 are determined, together with a comparison to previous calculations and experimental results. Our results show a remarkable multi-dimensional tunneling effect on the vibrational spectra of the radical. The vibrational tunneling splitting is substantially different from that of previous reduced dimensional calculations. The rotational constants of the fundamental vibrational bands of C 2 H 3 are also given. It was found that the rovibrational states are strongly coupled, especially among those bending vibrational modes. Additionally, the perturbative iteration approach of Gruebele has been extended to assign the rovibrational energy levels of C 2 H 3 without the requirement of explicit wavefunctions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Effects of irradiation damage on the hardness and elastic properties of quaternary and high entropy transition metal diborides

Multi-principal component transition metal (TM) diborides represent a class of high-entropy ceramics (HECs) that have received considerable interest in recent years owing to their promising properties for extreme environment applications that include thermal/ environmental barriers, hypersonic vehicles, turbine engines, and next-generation nuclear reactors. While the addition of chemical disorder through the random distribution of TM elements on the cation sublattice has offered opportunities to tailor elastic stiffness and hardness, the effects of irradiation-induced structural damage on the physical properties of these complex materials have remained largely unexplored. To this end, changes in the hardness and elastic moduli of a high-entropy TM diboride (Hf 0.2 Nb 0.2 Ta 0.2 Ti 0.2 Zr 0.2 )B 2 and three of its quaternary subsets following irradiation with 10 MeV gold (Au) ions to fluences of up to 6 × 10 15 Au cm -2 are investigated at the micrometer and sub-micrometer length-scales via the dispersion of laser-generated surface acoustic waves (SAW) and nanoindentation, respectively. The nanoindentation measurements show that the TM diborides exhibit an initial increase in hardness following irradiation with energetic Au ions, with a subsequent decrease in hardness following further irradiation. One quaternary composition, (Hf 1/3 Ta 1/3 Ti 1/3 )B 2 , exhibits a notable exception to the trend and continues to exhibit an increase in hardness with ion irradiation fluence. Although differences in the absolute values of the effective elastic moduli obtained from the measured SAW dispersion and nanoindentation are observed (and attributed to microstructural variations at the measurement length-scale), both techniques yield similar trends in the form of an initial reduction and subsequent saturation in the elastic modulus with increasing ion irradiation fluence. The quaternary TM diboride (Hf 1/3 Ta 1/3 Ti 1/3 )B 2 again exhibits a departure from this trend. The high-entropy TM diboride (Hf 0.2 Nb 0.2 Ta 0.2 Ti 0.2 Zr 0.2 )B 2 exhibits the greatest recovery in hardness and modulus when irradiated to high ion fluences following initial changes at low fluence, indicating superior resistance to radiation-induced damage over its quaternary counterparts. Opportunities for designing HECs with superior hardness and modulus for enhanced radiation resistance (compared to their single constituent counterparts) by tailoring chemical disorder and bond character in the lattice are discussed.

36 MATERIALS SCIENCE↗