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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

Prediction of Liquid Slosh Damping Using a High Resolution CFD Tool

Propellant slosh is a potential source of disturbance critical to the stability of space vehicles. The slosh dynamics are typically represented by a mechanical model of a spring mass damper. This mechanical model is then included in the equation of motion of the entire vehicle for Guidance, Navigation and Control analysis. Our previous effort has demonstrated the soundness of a CFD approach in modeling the detailed fluid dynamics of tank slosh and the excellent accuracy in extracting mechanical properties (slosh natural frequency, slosh mass, and slosh mass center coordinates). For a practical partially-filled smooth wall propellant tank with a diameter of 1 meter, the damping ratio is as low as 0.0005 (or 0.05%). To accurately predict this very low damping value is a challenge for any CFD tool, as one must resolve a thin boundary layer near the wall and must minimize numerical damping. This work extends our previous effort to extract this challenging parameter from first principles: slosh damping for smooth wall and for ring baffle. First the experimental data correlated into the industry standard for smooth wall were used as the baseline validation. It is demonstrated that with proper grid resolution, CFD can indeed accurately predict low damping values from smooth walls for different tank sizes. The damping due to ring baffles at different depths from the free surface and for different sizes of tank was then simulated, and fairly good agreement with experimental correlation was observed. The study demonstrates that CFD technology can be applied to the design of future propellant tanks with complex configurations and with smooth walls or multiple baffles, where previous experimental data is not available.

Yang, H. Q.↗
DOE OSTI2021

Effect of heat treatments on superconducting properties and connectivity in K-doped BaFe2As2

Abstract Fe-based superconductors and in particular K-doped BaFe 2 As 2 (K-Ba122) are materials of interest for possible future high-field applications. However the critical current density ( J c ) in polycrystalline Ba122 is still quite low and connectivity issues are suspected to be responsible. In this work we investigated the properties of high-purity, carefully processed, K-Ba122 samples synthesized with two separate heat treatments at various temperatures between 600 and 825 °C. We performed specific heat characterization and T c -distribution analysis up to 16 T and we compared them with magnetic T c and J c characterizations, and transmission-electron-microscopy (TEM) microstructures. We found no direct correlation between the magnetic T c and J c , whereas the specific heat T c -distributions did provide valuable insights. In fact the best J c -performing sample, heat treated first at 750 °C and then at 600 °C, has the peak of the T c -distributions at the highest temperatures and the least field sensitivity, thus maximizing H c2 . We also observed that the magnetic T c onset was always significantly lower than the specific heat T c : although we partially ascribe the lower magnetization T c to the small grain size (< λ , the penetration depth) of the K-Ba122 phase, this behaviour also implies the presence of some grain-boundary barriers to current flow. Comparing the T c -distribution with J c , our systematic synthesis study reveals that increasing the first heat treatment above 750 °C or the second one above 600 °C significantly compromises the connectivity and suppresses the vortex pinning properties. We conclude that high-purity precursors and clean processing are not yet enough to overcome all J c limitations. However, our study suggests that a higher temperature T c -distribution, a larger H c2 and a better connectivity could be achieved by lowering the second heat treatment temperature below 600 °C thus enhancing, as a consequence, J c .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Tuning the melting point of selected ionic liquids through adjustment of the cation’s dipole moment.

In prior research with thermally robust salts [Cassity et al., PCCP, 2017, 19, 31560] it was noted that an increase in the dipole moment of the cation generally led to a decrease in the melting point. Molecular dynamics simulations of the liquid state revealed that an increased dipole moment reduces cation-cation repulsions through dipole-dipole alignment. This was believed to reduce the liquid phase enthalpy, which would tend to lower the melting point of the IL. Here, we also test this principle by replacing hydrogen atoms with fluorine atoms at selected positions within the cation. This allows us to alter the electrostatics of the cation without substantially affecting the sterics. Furthermore, the strength of the dipole moment can be controlled by choosing different positions within the cation for replacement. We studied variants of four different parent cations paired with bistriflimide and determined their melting points, and enthalpies and entropies of fusion through DSC experiments. The decreases in the melting point were determined to be enthalpically driven. We found that the dipole moment of the cation, as determined by quantum chemical calculations, is inversely correlated with the melting point of the given compound. Molecular dynamics simulations of the crystalline and solid states of two isomers showed differences in their enthalpies of fusion that closely matched those seen experimentally. Moreover, this reduction in the enthalpy of fusion was determined to be caused by an increase in the enthalpy of the crystalline state. We provide evidence that dipole-dipole interactions between cations leads to the formation of cationic domains in the crystalline state. These cationic associations partially block favourable cation–anion interactions, which are recovered upon melting. If, however, the dipole- dipole interactions between cations is too strong they have a tendency to form glasses. This study provides a design rule for lowering the melting point of structurally similar ILs by altering their dipole moment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

The physical origin of dark energy constraints from rubin observatory and CMB-S4 lensing tomography

ABSTRACT We seek to clarify the origin of constraints on the dark energy equation of state parameter from CMB lensing tomography, that is the combination of galaxy clustering and the cross-correlation of galaxies with CMB lensing in a number of redshift bins. We focus on the analytic understanding of the origin of the constraints. Dark energy information in these data arises from the influence of three primary relationships: distance as a function of redshift (geometry), the amplitude of the power spectrum as a function of redshift (growth), and the power spectrum as a function of wavenumber (shape). We find that the effects from geometry and growth play a significant role and partially cancel each other out, while the shape effect is unimportant. We also show that Dark Energy Task Force figure of merit forecasts from the combination of LSST galaxies and CMB-S4 lensing are comparable to the forecasts from cosmic shear in the absence of the CMB lensing map, thus providing an important independent check. Compared to the forecasts with the LSST galaxies alone, combining CMB lensing and LSST clustering information increases the FoM by roughly a factor of 3–4 in the optimistic scenario where systematics are fully under control. We caution that achieving these forecasts will likely require a full analysis of higher-order biasing, photometric redshift uncertainties, and stringent control of other systematic limitations, which are outside the scope of this work, whose primary purpose is to elucidate the physical origin of the constraints.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1979

Equivalence of airborne and ground-acquired wheat canopy temperatures

The relationship between airborne and ground-based measurements of soil and crop canopy temperatures is investigated for a partial crop canopy. Daily ground-based measurements using a wide-field-of-view radiometer oriented towards the nadir at a height of 1.5 m and airborne thermal imagery at two-week intervals were obtained throughout the entire growing season of a stand of wheat. When corrected for atmospheric effects, the airborne measurements were found to be virtually identical to ground-based measurements, with a regression line slope of 0.985, a standard deviation of 1.8 C and a correlation coefficient of 0.97.

Millard, J. P.↗
NASA NTRS1993

A Discrete Probability Function Method for the Equation of Radiative Transfer

A discrete probability function (DPF) method for the equation of radiative transfer is derived. The DPF is defined as the integral of the probability density function (PDF) over a discrete interval. The derivation allows the evaluation of the PDF of intensities leaving desired radiation paths including turbulence-radiation interactions without the use of computer intensive stochastic methods. The DPF method has a distinct advantage over conventional PDF methods since the creation of a partial differential equation from the equation of transfer is avoided. Further, convergence of all moments of intensity is guaranteed at the basic level of simulation unlike the stochastic method where the number of realizations for convergence of higher order moments increases rapidly. The DPF method is described for a representative path with approximately integral-length scale-sized spatial discretization. The results show good agreement with measurements in a propylene/air flame except for the effects of intermittency resulting from highly correlated realizations. The method can be extended to the treatment of spatial correlations as described in the Appendix. However, information regarding spatial correlations in turbulent flames is needed prior to the execution of this extension.

Sivathanu, Y. R.↗
DOE OSTI2021

Rate-Based Absorption Modeling for Postcombustion CO 2 Capture with Additively Manufactured Structured Packing

Carbon capture using amine-based solvents in an absorption process is a leading candidate for reducing greenhouse gas emissions in industrial flue gas streams. To reduce operating costs and associated parasitic energy of these processes, process intensification utilizing additively manufactured structured packing has emerged as a new technology to manage exothermic reactions during absorption while improving CO 2 capture. A rate-based model framework has been developed for these novel packings that incorporates the mass and heat transfer phenomena for amine-based absorption of CO 2 . The rate-based model framework is first benchmarked using available solubility data and pilot plant data for aqueous monoethanolamine. The model validation shows accurate prediction of both CO 2 equilibrium partial pressures and ion speciation for solubility data as well as CO 2 capture, temperature profile, and solvent composition for pilot plant data in the absorption column. The model framework is then applied toward predicting the CO 2 capture performance of additively manufactured structured packing. Simulations agree with experimental data in predicting the CO 2 capture and the capture performance increase due to cooling within the structured packing device. Finally, advantages of this rate-based model framework are the utilization of correlations that may predict mass transfer and heat transfer coefficients of the packing based on the geometric properties of the device and the implementation of the model framework in open-source programming.

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

A fundamental understanding of whole biomass dissolution in ionic liquid for regeneration of fiber by solution-spinning

Materials made from renewable resources are interesting and attractive substitutes for petroleum-based materials. Recently, regeneration of cellulose fibers using ionic liquids (ILs) as green solvents has been a topic of interest to both industrial and academic sectors. However, extraction of cellulose from lignocellulosic biomass requires numerous energy intensive processing steps. Additionally, the deconstruction and removal of lignin and hemicellulose components from lignocellulosic biomass usually involve corrosive pretreatment and the solvation of specific biomass components. Instead, utilization of the whole biomass—particularly woody residues—to manufacture high-performance materials offers an attractive value-proposition. In this study, we demonstrated fiber regeneration of whole hybrid poplar (HP) biomass by a sustainable method. We developed an environmentally friendly approach by partially auto-hydrolyzing the biomass with water before its dissolution in 1-ethyl-3-methylimidazolium acetate ([C2mim][OAc]) ionic liquid, for large-scale, roll-to-roll production of fibers by solution spinning. We discuss, for the first time, a fundamental understanding of the inter- and intramolecular interactions in HP biomass–IL solutions, as well as their corresponding spinnability, structural reformation, and mechanical performance of the regenerated fibers. Particularly, the molecular alignment, recrystallization, and crystallinity of the spun fibers were correlated to the chain entanglement, molecular relaxation, and rheological properties of the HP biomass–IL solutions. A window of entangled concentration (4–6.5 wt%) of biomass in the IL was determined to be favorable for fiber spinning.

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

Effect of InAs quantum dots capped with GaAs on atomic-scale ordering in Ga 0.5 In 0.5 P

The CuPt ordering of the group III elements in Ga x In 1-x P ( x ≃ 0.5) has been observed to vary during growth by metalorganic vapor-phase epitaxy of InAs quantum dots capped with GaAs in a GaInP matrix. While ordering is not affected by the insertion of a GaAs layer, the growth of InAs quantum dots capped with GaAs results in ordered, partially ordered, or fully disordered GaInP. We show that the degree of ordering depends on the deposition time of the InAs quantum dots and on the thickness of the GaAs capping layer. Our results indicate that disordered GaInP occurs in the presence of excess indium at the growth surface, which results from the growth of strained InAs quantum dots. Ordering resumes when the excess indium is consumed. Cathodoluminescence, scanning transmission electron microscopy, and atomic force microscopy are used in this study to correlate the electronic properties and the microstructure of the thin films.

Atomic force microscopy↗
DOE OSTI2024

Structural transition and uranium valence change in UTe 2 at high pressure revealed by x-ray diffraction and spectroscopy

High-pressure x-ray diffraction up to 30 GPa, in conjunction with resonant emission x-ray spectroscopy and partial fluorescence yield x-ray absorption spectroscopy up to 52 GPa, were used to study how the structural and electronic properties of UTe2 evolve with pressure at room temperature. An orthorhombic-to-tetragonal phase transition was observed to occur between 5 and 7 GPa, with a large volume collapse of nearly 10% and a nearest U-U distance increase by about 4%. This lower-to-higher symmetry transition suggests less 5⁢f electron participation in bonding when the weakly correlated superconducting phase in the tetragonal structure of UTe 2 appears. Beyond 7 GPa, no new structural transitions were found up to 30 GPa. The resonant x-ray emission spectra clearly demonstrate an intermediate valence of U, nearly +3.74 at 1.8 GPa and room temperature, and reveal that the U valence shifts towards 4+, passes through a peak at 2.8 GPa, then decreases towards 3+ and settles down to a nearly constant value above 15 GPa. These experiments reveal that some fundamental structural and valence changes occur in UTe 2 at relatively low pressures, which could be responsible for the interplay between unconventional superconductivity, magnetic ordering, and weakly correlated superconductivity that is manifested in the temperature-pressure phase diagram of UTe 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Nanomechanics and Electronic Structure of Organic Photovoltaics in Real Application Conditions by Advanced Scanning Probe Microscopy (Final Technical Report for Project DE-SC0018041)

This project report consists of the following three sections: A.) Investigation of Charge Transport Properties in Semiconducting Conjugated Polymer Blends Using Computational Chemistry and Experiments: This section provides unpublished but valuable research results that correlate the electronic structure of PCBM:PCDTBT organic photovoltaic systems with their current-voltage characteristics. The presentation is structured in the form of a scientific publication. B.) Scanning Probe Microscopy Methodology Development Efforts for Organic Photovoltaic Materials: This section summarizes various published works focusing on advancements in scanning probe microscopy methods. Each sub-section corresponds to a scientific publication for which the abstract and citation are provided. C.) Other Publications Supported by the Project: This section lists additional published works partially supported by the project, which are not included in the previous two sections.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Bayes goes fast: Uncertainty quantification for a covariant energy density functional emulated by the reduced basis method

A covariant energy density functional is calibrated using a principled Bayesian statistical framework informed by experimental binding energies and charge radii of several magic and semi-magic nuclei. The Bayesian sampling required for the calibration is enabled by the emulation of the high-fidelity model through the implementation of a reduced basis method (RBM)—a set of dimensionality reduction techniques that can speed up demanding calculations involving partial differential equations by several orders of magnitude. The RBM emulator we build—using only 100 evaluations of the high-fidelity model—is able to accurately reproduce the model calculations in tens of milliseconds on a personal computer, an increase in speed of nearly a factor of 3,300 when compared to the original solver. Besides the analysis of the posterior distribution of parameters, we present model calculations for masses and radii with properly estimated uncertainties. We also analyze the model correlation between the slope of the symmetry energy L and the neutron skin of 48 Ca and 208 Pb. The straightforward implementation and outstanding performance of the RBM makes it an ideal tool for assisting the nuclear theory community in providing reliable estimates with properly quantified uncertainties of physical observables. Such uncertainty quantification tools will become essential given the expected abundance of data from the recently inaugurated and future experimental and observational facilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1974

Perturbation theory of structure in classical liquid mixtures: Application to metallic systems near phase separation

The partial structure factors of classical simple liquid mixtures near phase separation are dicussed. The theory is developed for particles interacting through pair potentials, and is thus appropriate both to insulating fluids, and also to metallic systems if these may be described by an effective ion-ion pair interaction. The motivation arose from consideration of metallic liquid mixtures, in which resistive anomalies have been observed near phase separation. A mean field theory correction appropriate to 3 pair potential for the effects of correlated motions in the reference fluid is studied. The work is cast in terms of functions which are closely related to the direct correlation functions of Ornstein and Zernike. The results are qualitatively in accord with physical expectations. Quantitative agreement with experiment seems to turn on the selection of the hard core reference potential in terms of the metallic effective pair potential. It is suggested that the present effective pair potentials are perhaps not properly used to calculate the metallic structure factors at long wavelength.

Henderson, R. L.↗
NASA NTRS1974

Prediction of pressure and flow transients in a gaseous bipropellant reaction control rocket engine

An analytic model is developed to predict pressure and flow transients in a gaseous hydrogen-oxygen reaction control rocket engine feed system. The one-dimensional equations of momentum and continuity are reduced by the method of characteristics from partial derivatives to a set of total derivatives which describe the state properties along the feedline. System components, e.g., valves, manifolds, and injectors are represented by pseudo steady-state relations at discrete junctions in the system. Solutions were effected by a FORTRAN IV program on an IBM 360/65. The results indicate the relative effect of manifold volume, combustion lag time, feedline pressure fluctuations, propellant temperature, and feedline length on the chamber pressure transient. The analytical combustion model is verified by good correlation between predicted and observed chamber pressure transients. The developed model enables a rocket designer to vary the design parameters analytically to obtain stable combustion for a particular mode of operation which is prescribed by mission objectives.

Markowsky, J. J.↗
NASA NTRS1994

Compressional ULF waves in the outer magnetosphere. 2: A case study of Pc 5 type wave activity

In previously published work (Zhu and Kivelson, 1991) the spatial distribution of compressional magnetic pulsations of period 2 - 20 min in the outer magnetosphere was described. In this companion paper, we study some specific compressional events within our data set, seeking to determine the structure of the waves and identifying the wave generation mechanism. We use both the magnetic field and three-dimensional plasma data observed by the International Sun-Earth Explorer (ISEE) 1 and/or 2 spacecraft to characterize eight compressional ultra low frequency (ULF) wave events with frequencies below 8 mHz in the outer magnetosphere. High time resolution plasma data for the event of July 24, 1978, made possible a detailed analysis of the waves. Wave properties specific to the event of July 24, 1978, can be summarized as follows: (1) Partial plasma pressures in the different energy ranges responded to the magnetic field pressure differently. In the low-energy range they oscillated in phase with the magnetic pressure, while oscillations in higher-energy ranges were out-of-phase; (2) Perpendicular wavelengths for the event were determined to be 60,000 and 30,000 km in the radial and azimuthal directions, respectively. Wave properties common to all events can be summarized as follows: (1) Compressional Pc 5 wave activity is correlated with Beta, the ratio of the plasma pressure to the magnetic pressure; the absolute magnitude of the plasma pressure plays a minor role for the wave activity; (2) The magnetic equator is a node of the compressional perturbation of the magnetic field; (3) The criterion for the mirror mode instability is often satisfied near the equator in the outer magnetosphere when the compressional waves are present. We believe these waves are generated by internal magnetohydrodynamic (MHD) instabilities.

Zhu, Xiaoming↗
NASA NTRS1992

Characterization of photosystem 1 chlorophyll a/b-binding apoprotein accumulation in developing soybean using type-specific antibodies

The structure and supramolecular assembly of the soybean photosystem 1 (PS 1) chlorophyll a/b-binding antenna (LHC 1) was examined. We identified the subunit composition of LHC 1 in soybean and followed the accumulation of individual subunits during light-induced assembly. We observed four LHC 1 subunits, at 23, 22, 21 and 20.5 kDa, obtained partial sequence information by amino-terminal sequence analysis, and classified the 20.5, 22, and 21 kDa subunits as being encoded by type I, II, and IV chlorophyll a/b binding protein genes, respectively. Antisera against LHC 1 subunits were used to follow the accumulation of individual subunits during the light-initiated transition from etioplast to chloroplast. Several points are noteworthy. First, monospecific antibody against the 22 kDa subunit decorated a 25 kDa peptide in etiolated tissue, which declined during maturation. This decline correlated with the light-induced appearance of mature 22 kDa peptide, suggesting a precursor/product relationship. Second, the same antibody identified a 22 kDa protein in mature corn, but not a larger band in etiolated corn, suggesting that LHC 1 accumulation is regulated differently between species before the onset of chlorophyll biosynthesis. Third, the mature 22 kDa subunit appeared somewhat later than the other LHC 1 peptides during greening, implying that this subunit is less intimately associated with the PS1 core than are the subunits appearing earlier in development.

Non-NASA Center↗
NASA NTRS1997

Motion video compression system with neural network having winner-take-all function

A motion video data system includes a compression system, including an image compressor, an image decompressor correlative to the image compressor having an input connected to an output of the image compressor, a feedback summing node having one input connected to an output of the image decompressor, a picture memory having an input connected to an output of the feedback summing node, apparatus for comparing an image stored in the picture memory with a received input image and deducing therefrom pixels having differences between the stored image and the received image and for retrieving from the picture memory a partial image including the pixels only and applying the partial image to another input of the feedback summing node, whereby to produce at the output of the feedback summing node an updated decompressed image, a subtraction node having one input connected to received the received image and another input connected to receive the partial image so as to generate a difference image, the image compressor having an input connected to receive the difference image whereby to produce a compressed difference image at the output of the image compressor.

Fang, Wai-Chi↗
DOE OSTI2022

Physics-informed Karhunen-Loeve and Neural Network Approximations for Solving Inverse Differential Equation Problems

Here we present the PI-CKL-NN method for parameter estimation in differential equation (DE) models given sparse measurements of the parameters and states. In the proposed approach, the space- or time-dependent parameters are approximated by Karhunen-Loeve (KL) expansions that are conditioned on the parameters’ measurements, and the states are approximated by deep neural networks (DNNs). The unknown weights in the KL expansions and DNNs are found my minimizing the cost function that enforces the measurements of the states the DE constraint. Regularization is achieved by adding the l2 norm of the conditional KL coefficients into the loss function. Our approach assumes that the parameter fields are correlated in space or time and enforces the statistical knowledge (the mean and the covariance function) in addition to the DE constraints and measurements as opposed to the physics-informed neural network (PINN) and other similar physics-informed machine learning methods where only DE constraints and data are used for parameter estimation. We use the PI-CKL-NN method for parameter estimation in an ordinary differential equation with an unknown time-dependent parameter and the one- and two-dimensional partial differential diffusion equations with unknown space-dependent diffusion coefficients. We also demonstrate that PI-CKL-NN is more accurate than the PINN method, especially when the observations of the parameters are very sparse

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗