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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Prolate and oblate chiral liquid crystal spheroids

Liquid crystals are known to exhibit intriguing textures and color patterns, with applications in display and optical technologies. This work focuses on chiral materials and examines the palette of morphologies that arises when microdroplets are deformed into nonspherical shapes in a controllable manner. Specifically, geometrical confinement and mechanical strain are used to manipulate orientational order, phase transitions, and topological defects that arise in chiral liquid crystal droplets. Inspired by processes encountered in nature, where insects and animals often rely on strain and temperature to alter the optical appearance of dispersed liquid crystalline elements, chiral droplets are dispersed in polymer films and deformation induced by uniaxial or biaxial stretching. Our measurements are interpreted by resorting to simulations of the corresponding systems, thereby providing an in-depth understanding of the morphologies that arise in these materials. The reported structures and assemblies offer potential for applications in smart coatings, smart fabrics, and wearable sensors.

42 ENGINEERING↗
DOE OSTI2024

Preserving Superconvergence of Spectral Elements for Curved Domains [Slides]

Finite Element Methods (FEM) and Spectral Element Methods (SEM) are crucial for solving partial differential equations (PDEs) on complex geometries. SEM offers superior accuracy due to potential superconvergence for simple domains. Challenges persist for domains with curved boundaries, restricting SEM’s advantages in real-world applications. A proposed solution is the introduction of a novel strategy to enhance accuracy and maintain superconvergence of SEM in curved domains. The strategy includes a mesh-generation procedure with geometrically refined elements near curved boundaries and a post-processing phase using the Adaptive Extended Stencil Finite Element Method (AES-FEM). The method, named AES-FEM post-processed Spectral Element Method (ApSEM), aligns the accuracy of non-tensor-product elements with superconvergent spectral elements.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1977

Similarity laws of lunar and terrestrial volcanic flows

A mathematical model of a one dimensional, steady duct flow of a mixture of a gas and small solid particles (rock) was analyzed and applied to the lunar and the terrestrial volcanic flows under geometrically and dynamically similar conditions. Numerical results for the equilibrium two phase flows of lunar and terrestrial volcanoes under similar conditions are presented. The study indicates that: (1) the lunar crater is much larger than the corresponding terrestrial crater; (2) the exit velocity from the lunar volcanic flow may be higher than the lunar escape velocity but the exit velocity of terrestrial volcanic flow is much less than that of the lunar case; and (3) the thermal effects on the lunar volcanic flow are much larger than those of the terrestrial case.

Pai, S. I.↗
NASA NTRS1980

Titan aerosols - Optical properties and vertical distribution

An analysis of Titan's solar phase variation as a function of wavelength together with the continuum geometric albedo makes it possible to set limits on the real part of the refractive index and on the average particle size of the aerosol component of Titan's atmosphere of between about 1.5 and 2.0 and between 0.20 microns and about 0.35 microns, respectively. If the real part of the refractive index is known the average particle size can be determined to within a few percent, and varies inversely with the real part of the refractive index. Using this information in a two-layer model of a methane-aerosol atmosphere and comparing the result with Titan's visible and near-infrared methane spectrum leads to the conclusion that the top layer of Titan's atmosphere contains 0.01 km atm of methane and 2.5 extinction optical depths of aerosol, while the data are consistent with a bottom layer containing 2.2 km atm of methane and about 7.5 aerosol optical depths for a real part of the refractive index equal to 1.7 and an average particle size of 0.25 microns.

Rages, K.↗
NASA NTRS1980

Asteroid rotation. III - 1978 observations

Photoelectric observations of 32 asteroids observed from Table Mountain Observatory during the second half of 1978 are reported. Rotation periods were obtained for most objects. Absolute magnitudes and phase functions were not determined for any of these asteroids. The geometric mean rotation period of the 32 asteroids observed is 14.2 + or - 1.6 hr, as compared to 9.38 + or - 0.35 hr for 182 asteroids analyzed in Harris and Burns (1979). This difference is attributed to an observational selection effect which favors detection of fast rotation. If this is true, then the present sample contains the reverse bias, since it is complete in that a period (in some cases very approximate) was obtained for each object observed, but fast rotators are underrepresented due to prior discovery of their rotation properties.

Harris, A. W.↗
NASA NTRS1984

Rocket injector anomalies study. Volume 2: Results of parametric studies

The employment of a existing computer program to simulate three dimensional two phase gas spray flows in liquid propellant rocket engines. This was accomplished by modification of an existing three dimensional computer program (REFLAN3D) with Euler/Lagrange approach for simulating two phase spray flow, evaporation and combustion. The modified code is referred to as REFLAN3D-SPRAY. Computational studies of the model rocket engine combustion chamber are presented. The parametric studies of the two phase flow and combustion shows qualitatively correct response for variations in geometrical and physical parameters. The injection nonuniformity test with blocked central fuel injector holes shows significant changes in the central flame core and minor influence on the wall heat transfer fluxes.

Przekwas, A. J.↗
NASA NTRS1983

Geometric correction process for the Landsat-4 Thematic Mapper

The processing approaches which form the basis of the Landsat-4 Thematic Mapper (TM) geometric correction system are summarized. The correction is accomplished in two phases. In the first phase, correction data are generated. The spacecraft position, TM frame attitude, TM scanning mirror position, and detector sampling are found as a function of time through a combination of flight segment measurements, ground segment modeling, and control point information. The data, along with the earth position and geoid model, are used to determine the earth location for each TM image sample. Then, using map projections, correction data can be generated which define the location of each TM image sample on the output coordinate system. In the second phase, the correction data are used to resample TM detector samples onto the output coordinate system.

Beyer, E. P.↗
NASA NTRS1999

Near-Polar Cratered Cones on Mars: Mola Measurements and Implications for Volcanic Origins

Near-polar craterforms have been observed on Mars since Mariner 9. Hodges and Moore [1,2] described the implications of these apparently volcanic features and suggested that several were formed as a consequence of magma-ice or magma-water interactions. Indeed, they proposed that the feature illustrated in Fig. I represents a hydromagmatic explosion crater or maar, indicating interaction of ground-ice and/or water with magma in the higher Northern hemisphere latitudes of Mars. The advent of Mars Orbiter Laser Altimeter (MOLA) topographic information 161 for several of the putative volcanic craterforms described in [1,2] allows a reconsideration of their formation mechanisms. We have exploited MOLA's near-centerline cross-sections from the Science Phasing Orbit phase of the Mars Global Surveyor (MGS) mission to analyze the geometric properties of these features as constraints on their modes of origin and subsequent modification histories. From our preliminary analyses, we believe there is evidence these features may have been formed by effusive, lava shield building eruptions, and not hydromagmatic events. Furthermore, geometrical constraints indicate that some of the near-polar craterforms are geologically youthful.

Garvin, J. B.↗
NASA NTRS1998

Thermal State-of-Charge in Solar Heat Receivers

A theoretical framework is developed to determine the so-called thermal state-of-charge (SOC) in solar heat receivers employing encapsulated phase change materials (PCMS) that undergo cyclic melting and freezing. The present problem is relevant to space solar dynamic power systems that would typically operate in low-Earth-orbit (LEO). The solar heat receiver is integrated into a closed-cycle Brayton engine that produces electric power during sunlight and eclipse periods of the orbit cycle. The concepts of available power and virtual source temperature, both on a finite-time basis, are used as the basis for determining the SOC. Analytic expressions for the available power crossing the aperture plane of the receiver, available power stored in the receiver, and available power delivered to the working fluid are derived, all of which are related to the SOC through measurable parameters. Lower and upper bounds on the SOC are proposed in order to delineate absolute limiting cases for a range of input parameters (orbital, geometric, etc.). SOC characterization is also performed in the subcooled, two-phase, and superheat regimes. Finally, a previously-developed physical and numerical model of the solar heat receiver component of NASA Lewis Research Center's Ground Test Demonstration (GTD) system is used in order to predict the SOC as a function of measurable parameters.

Hall, Carsie A., Jr.↗
NASA NTRS1998

Thermal State-of-Charge in Solar Heat Receivers

A theoretical framework is developed to determine the so-called thermal state-of-charge (SOC) in solar heat receivers employing encapsulated phase change materials (PCMS) that undergo cyclic melting and freezing. The present problem is relevant to space solar dynamic power systems that would typically operate in low-Earth-orbit (LEO). The solar heat receiver is integrated into a closed-cycle Brayton engine that produces electric power during sunlight and eclipse periods of the orbit cycle. The concepts of available power and virtual source temperature, both on a finite-time basis, are used as the basis for determining the SOC. Analytic expressions for the available power crossing the aperture plane of the receiver, available power stored in the receiver, and available power delivered to the working fluid are derived, all of which are related to the SOC through measurable parameters. Lower and upper bounds on the SOC are proposed in order to delineate absolute limiting cases for a range of input parameters (orbital, geometric, etc.). SOC characterization is also performed in the subcooled, two-phase, and superheat regimes. Finally, a previously-developed physical and numerical model of the solar heat receiver component of NASA Lewis Research Center's Ground Test Demonstration (GTD) system is used in order to predict the SOC as a function of measurable parameters.

Hall, Carsie, A., III↗
NASA NTRS1983

Light scattering by randomly oriented cubes and parallelepipeds

In this paper, the geometric ray tracing theory for the scattering of light by hexagonal cylinders to cubes and parallelepipeds has been modified. Effects of the real and imaginary parts of the refractive index and aspect ratio of the particle on the scattering phase function and the degree of linear polarization are investigated. Causes of the physical features in the scattering polarization patterns are identified in terms of the scattering contribution due to geometric reflections and refractions. The single-scattering phase function and polarization data presented in this paper should be of some use for the interpretation of observed scattering and polarization data from planetary atmospheres and for the physical understanding of the transfer of radiation in an atmosphere containing nonspherical particles.

Liou, K. N.↗
NASA NTRS1978

Photometry and polarimetry of Jupiter at large phase angles. I - Analysis of imaging data of a prominent belt and a zone from Pioneer 10

Photopolarimetric observations of a prominent bright zone and a dark belt of Jupiter in red and blue light are analyzed which were performed by Pioneer 10 at phase angles of 12, 23, 34, 109, 120, 127, and 150 deg. Geometric and photometric reductions of the imaging data are described, the instrument sensitivity at various times is evaluated, and the data are referred to an absolute scale. The observations are analyzed in detail by comparing the data with results of radiative-transfer calculations for specific scattering models of Jupiter's atmosphere. These models include those with a vertical structure consisting of a layer of Rayleigh-scattering gas above a semiinfinite mixture of cloud particles and gas, those having a small quantity of aerosols in the gas above either the diffuse cloud in a reflecting-scattering model or the top cloud of a two-cloud-layer model, those in which a forward-scattering haze is mixed uniformly with gas, and those containing dust layers. It is found that in both the belt and the zone in red as well as blue light, cloud phase functions are required which provide both strong forward scattering and some backscattering.

Tomasko, M. G.↗
DOE OSTI2023

Novel Phases and Dynamics of Multi-orbital Mott Insulators

The goal of this project is to gain theoretical insight into magnetism in the presence of spin-orbit coupling (SOC) for multi-orbital Mott insulators. Inspired by the exact solution of the Kitaev model that harbors a quantum spin liquid with novel excitations and struck by its relevance for materials with anisotropic orbital interactions, the PI will explore various new classes of 4d and 5d transition metal oxides. Starting with all electron Hamiltonians, the PI will derive minimal magnetic models. The aim will be to understand the role played by orbital frustration, even in the absence of any geometric frustration, in creating orbitally ordered as well as spin-orbital liquid phases. Orbital frustration arises primarily from the directional or anisotropic nature of d-orbitals in contrast to the isotropic nature of the spin degree of freedom. These models will be investigated by a variety of theoretical and numerical methods, including exact diagonalization, mean field theories, density matrix renormalization group and quantum Monte Carlo methods. Testable predictions for three experiments: nuclear magnetic resonance (NMR) and resonant x-ray scattering (RXS) to probe orbital ordering and pump-probe experiments to probe quantum dynamics will test the validity of these models for materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Ice Phase Classification Made Easy with Score-Based Denoising

Accurate identification of ice phases is essential for understanding various physicochemical phenomena. However, such classification for structures simulated with molecular dynamics is complicated by the complex symmetries of ice polymorphs and thermal fluctuations. For this purpose, both traditional order parameters and data-driven machine learning approaches have been employed, but they often rely on expert intuition, specific geometric information, or large training data sets. In this work, we present an unsupervised phase classification framework that combines a score-based denoiser model with a subsequent model-free classification method to accurately identify ice phases. Further, the denoiser model is trained on perturbed synthetic data of ideal reference structures, eliminating the need for large data sets and labeling efforts. The classification step utilizes the smooth overlap of atomic position (SOAP) descriptors as the atomic fingerprint, ensuring Euclidean symmetries and transferability to various structural systems. Our approach achieves a remarkable 100% accuracy in distinguishing ice phases of test trajectories using only seven ideal reference structures of ice phases as model inputs. This demonstrates the generalizability of the score-based denoiser model in facilitating phase identification for complex molecular systems. The proposed classification strategy can be broadly applied to investigate structural evolution and phase identification for a wide range of materials, offering new insights into the fundamental understanding of water and other complex systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2010

Reflector Surface Error Compensation in Dual-Reflector Antennas

By probing the field on a small subreflector at a minimal number of points, the main reflector surface errors can be obtained and subsequently used to design a phase-correction subreflector that can compensate for main reflector errors. The compensating phase-error profile across the subreflector can be achieved either by a surface deformation or by the use of an array of elements such as patch antennas that can cause a phase shift between the incoming and outgoing fields. The second option is of primary interest here, but the methodology can be applied to either case. The patch array is most easily implemented on a planar surface. Therefore, the example of a flat subreflector and a parabolic main reflector (a Newtonian dual reflector system) is considered in this work. The subreflector is assumed to be a reflector array covered with patch elements. The phase variation on a subreflector can be detected by a small number of receiving patch elements (probes). By probing the phase change at these few selected positions on the subreflector, the phase error over the entire surface can be recovered and used to change the phase of all the patch elements covering the subreflector plane to compensate for main reflector errors. This is accomplished by using a version of sampling theorem on the circular aperture. The sampling is performed on the phase-error function on the circular aperture of the main reflector by a method developed using Zernike polynomials. This method is based upon and extended from a theory previously proposed and applied to reflector aperture integration. This sampling method provides for an exact retrieval of the coefficients of up to certain orders in the expansion of the phase function, from values on a specifically calculated set of points in radial and azimuthal directions in the polar coordinate system, on the circular reflector aperture. The corresponding points on the subreflector are then obtained and, by probing the fields at these points, a set of phase values is determined that is then transferred back to the main reflector aperture for recovering the phase function. Once this function is recovered, the corresponding phase function on the subreflector is calculated and used to compensate for main reflector surface errors. In going back and forth between sub and main reflectors, geometrical (ray) optics is employed, which even though it ignores edge diffraction and other effects, is shown to be accurate for phase recovery.

Jamnejad, Vahraz↗
DOE OSTI2022

Chemical Pressure-Derived Assembly Principles for Dodecagonal Quasicrystal Approximants and Other Complex Frank–Kasper Phases

The structures of complex intermetallic compounds can often be interpreted in terms of assemblies of units from simpler parent phases. For example, dodecagonal quasicrystals appear, when viewed down their high-symmetry axes, as plane-filling arrangements of square and triangular tiles corresponding to the Cr 3 Si and Al 3 Zr 4 structure types, respectively. The atomic arrangements and cell-dimensions at the (100) faces of the cells of these structures provide a close geometrical match, which underlies not only dodecagonal quasicrystals and their approximants, but also the much more common σ-phase structure. In this Article, we show that such intergrowth of parent structures can arise from more than just geometrical coincidences, but can be driven by a complementary matching of atomic packing forces. DFT-Chemical Pressure (CP) analysis on elemental versions of the Cr 3 Si and Al 3 Zr 4 types reveal that in both cases arrays of positive interatomic pressures inhibit the formation of optimal contacts elsewhere in the structures. When they are lined up at the potential Cr 3 Si/Al 3 Zr 4 interfaces, however, positive pressures from the two structures interdigitate rather than coincide, providing the opportunity for the relaxation of strained interatomic contacts. That such relief is afforded by the interfaces is confirmed by CP analysis of the σ-phase (FeCr-type) structure. Building on this scheme, we introduce the CP interface function to represent how the CP features of atoms within a structure impact planes or other surfaces that could serve as interfaces between different structures. Using this function, we then explore how the favorability of interfaces between Cr 3 Si and Al 3 Zr 4 -type units is tuned by partial elemental substitution with Si, as well as their potential matches with Laves phase units. Furthermore, the emerging picture provides an account for features of the quasicrystal approximants Mn 7 VSi 2 and Mn 81.5 Si 18.5 , as well as a framework for approaching intermetallic intergrowth structures more broadly.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Magnetic phase diagram and multiple field-induced states in the intermetallic triangular-lattice antiferromagnet NdAuAl 4 Ge 2 with Ising-like spins

Geometrical frustration and the enhancement of strong quantum fluctuations in two-dimensional triangular antiferromagnets can lead to various intriguing phenomena. Here, in this work, we studied the spin-1/2 triangular lattice antiferromagnet NdAuAl 4 Ge 2 . Thermodynamic and transport properties, such as magnetization and specific heat together with the resistivity measurements were performed. In zero field, two successive phase transitions were observed at T N1 = 1.75 ± 0.02 and T N2 = 0.49 ± 0.02 K, respectively. Under magnetic field, XXZ-type anisotropy was revealed with the moments pointing along the easy c axis. For B∥c, multiple field-induced states were observed, and the magnetic phase diagram was established based on the specific-heat and magnetization data. The temperature-dependent resistivity measurements indicate that NdAuAl 4 Ge 2 is a good metal. It is very likely that both the long-range Ruderman-Kittel-Kasuya-Yosida interactions and the geometrical frustration play important roles in this case.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Presentation of gas-phase-reactant-accessible single-rhodium-atom catalysts for CO oxidation, via MOF confinement of an Anderson polyoxometalate

Geometric or electronic confinement of guests within nanoporous hosts holds promise for imparting catalytic functionality, including single-metal-atom catalytic functionality, to existing materials. When the nanoporous host is a metal–organic framework (MOF), single-metal-ion catalysts have typically been installed by grafting to an open site on an inorganic node, with the node effectively becoming the support for the catalyst. This approach, however, imposes compositional constraints, as the node not only needs to be receptive to grafting, but also must be capable of stabilizing the framework against solvent evacuation, chemical exposure, and heating. Here, we show that disk-like, Anderson polyoxometalate clusters (RhMo 6 O 24 n- and Mo 7 O 24 m- ; POMs) can be confined in pore-specific and orientation-specific fashion within the hierarchically porous, Zr(IV)-based MOF, NU1K. Self-limiting loading of one cluster per pore, and associated nano-confinement, serve to isolate each POM and prevent consolidation caused by sintering. Additionally, the oriented confinement serves to expose individual rhodium atoms to candidate gas-phase reactants, while enabling the rhodium atom to employ a well-defined oxy-molybdenum cluster, rather than a MOF node, as a support. Synchrotron-based difference-electron-density maps and differential pair-distribution-function analyses of scattered X-rays establish cluster siting and orientation and confirm isolation. Nanoconfined (i.e., MOF- and POM-confined) single-rhodium(III)-atoms are catalytically competent for an illustrative gas-phase reaction, CO oxidation by O 2 , with the MOF-isolated POM enormously outperforming nonporous, MOF-free, solid (NH 4 ) 3 [H 6 RhMo 6 O 24 ]·6H 2 O. This paper highlights the value of MOF-based nano-confinement and oriented isolation of planar POMs as a means of uniformly presenting and stabilizing potent single-metal-atom catalysts, in reactant-accessible form, on well-defined supports.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗