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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Structural Analysis, Magnetocaloric Effect, and Critical Exponents for La{sub 0.6}Sr{sub 0.2}Na{sub 0.2}MnO{sub 3} Manganite

This work focuses on the structural, magnetocaloric effect, and critical exponent investigations of La{sub 0.6}Sr{sub 0.2}Na{sub 0.2}MnO{sub 3} manganite prepared via sol–gel method. XRD analysis confirms the rhombohedral structure with R 3-bar c symmetry for this sample, and Rietveld method was used to estimate its different structural parameters. The sample presents FM-PM phase transition of second-order type at T{sub C} = 309 K. The maximum of magnetic entropy change (−ΔS{sub M}{sup max}) and relative cooling power (RCP) reach values of about 3.57 J kg{sup −1} K{sup −1} and 214.46 J kg{sup −1}, respectively (at μ{sub 0}H = 5 T). These values indicate that La{sub 0.6}Sr{sub 0.2}Na{sub 0.2}MnO{sub 3} sample can be used as active magnetic refrigerator. Critical exponents (β, γ, and δ) of the sample have studied by analyzing the M(μ{sub 0}H, T) isotherms using different techniques. The estimated values of these critical exponents are found to be different to those predicted for standard theoretical models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Impact of symmetry breaking and spin-orbit coupling on the band gap of halide perovskites

Halide perovskite (HP) materials have recently emerged as a class of semiconductors with immense promise for various optoelectronic applications, ranging from solar cells to light-emitting diodes. One of the unique attributes of HPs is their tunable band gaps with different factors governing their value. Furthermore, the first factor is related to relativistic corrections [“mass-Darwin,” connected to the ns 2 lone pairs, and spin-orbit coupling (SOC)] that induce an orbital shift or degeneracy splitting, resulting in a band-gap reduction. The second factor involves the structural configuration: in HPs the local symmetry of each Wyckoff position tends to be broken, inducing an opening of the band gap. Based on high-throughput density functional theory calculations, this paper systematically studies a possible self-cancelation on the band-gap correction for HPs when the polymorphous configuration—structural effects—and the SOC—electronic effects—are included. Our results indicate that the nature of interplay between SOC and symmetry breaking (SB) is that they are independent decoupling effects to describe the band-gap magnitude in halide perovskites. As a result of that, we observe a transitivity of the band-gap description; i.e., if we know the band gap of halide perovskites without SB and SOC, we can independently add the effects of band-gap reduction due to SOC and band-gap opening due to SB, regardless of the order in which these effects are considered.

14 SOLAR ENERGY↗
NASA NTRS1983

Structure and growth process of vapor-grown carbon fibers

The structure, effect of heat, and growth process of vapor-grown carbon fibers are investigated. The growth process of the carbon fibers could be divided into three stages; nucleation, elongation, and thickening processes. Also, a multi-layered structure can be produced as well as graphitization.

Koyama, T.↗
NASA NTRS1974

Some cable suspension systems and their effects on the flexural frequencies of slender aerospace structures

The effects of several cable suspension configurations on the first free-free flexural frequency of uniform beams have been determined by experiment and analysis. The results of this study confirm that in general the larger the test vehicle the larger is the flexural frequency measurement error attributable to a given cable suspension configuration. For horizontally oriented beams representing modern aerospace vehicles of average size and flexibility, the restraining effects of all but the shortest support cables were minor. The restraining effects of support cables of moderate length attached near the base of vertically oriented vehicles were overshadowed by the effects of beam compression due to gravity.

Herr, R. W.↗
DOE OSTI2020

Understanding effects of conductive additives in lithium-sulfur batteries

Since 2009, lithium-sulfur (Li-S) batteries have been attracting much research interest, ascribed to their high energy density and cost-effectiveness. However, their S cathodes are harassed by the poor conductivity, shuttling of lithium polysulfides (LPSs), and large volume change. In improving conductivity of S cathodes, carbon materials are widely used as conductive additives. However, there still lacks a comparative study on their geometric and structural effects in Li-S batteries. To this end, a systematic investigation is conducted on two different typical conductive additives, carbon black (CB) 1 and nitrogen-doped graphene nanosheets (N-GNS) 2 . This work reveals that, compared to the zero-dimensional (0D) CB nanoparticles, the two-dimensional (2D) N-GNS is structurally less defective and has a larger surface area. Furthermore, as a result, the 2D structure of the N-GNS helps achieve higher capacity retention but inhibits Li-ion transportation. In comparison, the 0D structure of the CB facilitates the transportation of Li-ions with a higher initial capacity but exposed to a severer shuttling behavior of LPSs. It is also found that a combination of the CB and N-GNS enables better performance of Li-S batteries, in terms of sustainable capacity, Coulombic efficiency, and rate capability. This study is inspiring for designing better S cathodes for Li-S batteries.

25 ENERGY STORAGE↗
DOE OSTI2018

Hot phonon and carrier relaxation in Si(100) determined by transient extreme ultraviolet spectroscopy

The thermalization of hot carriers and phonons gives direct insight into the scattering processes that mediate electrical and thermal transport. Obtaining the scattering rates for both hot carriers and phonons currently requires multiple measurements with incommensurate timescales. Here, transient extreme-ultraviolet (XUV) spectroscopy on the silicon 2p core level at 100 eV is used to measure hot carrier and phonon thermalization in Si(100) from tens of femtoseconds to 200 ps, following photoexcitation of the indirect transition to the Δ valley at 800 nm. The ground state XUV spectrum is first theoretically predicted using a combination of a single plasmon pole model and the Bethe-Salpeter equation with density functional theory. The excited state spectrum is predicted by incorporating the electronic effects of photo-induced state-filling, broadening, and band-gap renormalization into the ground state XUV spectrum. A time-dependent lattice deformation and expansion is also required to describe the excited state spectrum. The kinetics of these structural components match the kinetics of phonons excited from the electron-phonon and phonon-phonon scattering processes following photoexcitation. Separating the contributions of electronic and structural effects on the transient XUV spectra allows the carrier population, the population of phonons involved in inter- and intra-valley electron-phonon scattering, and the population of phonons involved in phonon-phonon scattering to be quantified as a function of delay time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Neutron Total Scattering Analysis of Materials for the Nuclear Fuel Cycle

Here, this paper reviews recent experimental efforts at the University of Tennessee and Oak Ridge National Laboratory to comprehensively characterize the structural details of materials relevant for the nuclear fuel cycle by employing advanced neutron scattering techniques. For the study of nuclear ceramics, neutron scattering offers distinct advantages over traditional laboratory or synchrotron X-ray diffraction, including enhanced sensitivity to elements with a low atomic mass, such as oxygen, nitrogen, and carbon. The key to these efforts is the recent advancement in the neutron scattering infrastructure at the high-flux diffractometers at the Spallation Neutron Source. The high neutron flux at these instruments enables neutron total scattering, a nondestructive bulk technique that simultaneously captures both short-range structural effects through pair distribution function analysis and long-range order through diffraction pattern analysis. This approach is particularly important for a comprehensive description of defective, disordered, or amorphous nuclear materials. The case studies presented here include analyses of the local defect structure in hyperstoichiometric uranium oxides and short-range order of ion-irradiated ceramics. This advanced analytical methodology will improve our understanding of the behavior of materials in extreme environments and contribute to the development of more resilient nuclear materials.

Neutron scattering↗
NASA NTRS1973

Structural expansions for the ground state energy of a simple metal

A structural expansion for the static ground state energy of a simple metal is derived. An approach based on single particle band structure which treats the electron gas as a non-linear dielectric is presented, along with a more general many particle analysis using finite temperature perturbation theory. The two methods are compared, and it is shown in detail how band-structure effects, Fermi surface distortions, and chemical potential shifts affect the total energy. These are of special interest in corrections to the total energy beyond third order in the electron ion interaction, and hence to systems where differences in energies for various crystal structures are exceptionally small. Preliminary calculations using these methods for the zero temperature thermodynamic functions of atomic hydrogen are reported.

Hammerberg, J.↗
NASA NTRS1976

Aeroelastic analysis for helicopter rotor blades with time-variable, non-linear structural twist and multiple structural redundancy: Mathematical derivation and program user's manual

The differential equations of motion for the lateral and torsional deformations of a nonlinearly twisted rotor blade in steady flight conditions together with those additional aeroelastic features germane to composite bearingless rotors are derived. The differential equations are formulated in terms of uncoupled (zero pitch and twist) vibratory modes with exact coupling effects due to finite, time variable blade pitch and, to second order, twist. Also presented are derivations of the fully coupled inertia and aerodynamic load distributions, automatic pitch change coupling effects, structural redundancy characteristics of the composite bearingless rotor flexbeam - torque tube system in bending and torsion, and a description of the linearized equations appropriate for eigensolution analyses. Three appendixes are included presenting material appropriate to the digital computer program implementation of the analysis, program G400.

Bielawa, R. L.↗
NASA NTRS1985

Auroral zone effects on hydrogen geocorona structure and variability

The effect of diurnal and magnetospheric modulations on the structure of the hydrogen geocorona is analyzed on the basis of recent observations. Particular attention is given to the enhancement of neutral escape by plasma effects, including the recently observed phenomenon of low-altitude ion acceleration. It is found that, while significant fluxes of neutral H should be produced by transverse ion acceleration in the auroral zone, the process is probably insufficient to account for the observed polar depletion of hydrogen atoms. Analysis of recent exospheric temperature measurements from the Dynamics Explorer-2 satellite suggest that neutral heating in and near the high latitude cusp may be the major contributor to depleted atomic hydrogen densities at high latitudes. Altitude profiles of the production rates for escaping neutral hydrogen atoms during periods of maximum, minimum, and typical solar activity are provided.

Moore, T. E.↗
NASA NTRS2016

Aeroelastic Response of the Adaptive Compliant Trailing Edge Transtition Section

The Adaptive Compliant Trailing Edge demonstrator was a joint task under the Environmentally Responsible Aviation Project in partnership with the Air Force Research Laboratory and FlexSys, Inc. (Ann Arbor, Michigan), chartered by the National Aeronautics and Space Administration to develop advanced technologies that enable environmentally friendly aircraft, such as continuous mold-line technologies. The Adaptive Compliant Trailing Edge demonstrator encompassed replacing the Fowler flaps on the SubsoniC Aircraft Testbed, a Gulfstream III (Gulfstream Aerospace, Savannah, Georgia) aircraft, with control surfaces developed by FlexSys, Inc., a pair of uniquely-designed, unconventional flaps to be used as lifting surfaces during flight-testing to substantiate their structural effectiveness. The unconventional flaps consisted of a main flap section and two transition sections, inboard and outboard, which demonstrated the continuous mold-line technology. Unique characteristics of the transition sections provided a challenge to the airworthiness assessment for this part of the structure. A series of build-up tests and analyses were conducted to ensure the data required to support the airworthiness assessment were acquired and applied accurately. The transition sections were analyzed both as individual components and as part of the flight-test article assembly. Instrumentation was installed in the transition sections based on the analysis to best capture the in-flight aeroelastic response. Flight-testing was conducted and flight data were acquired to validate the analyses. This paper documents the details of the aeroelastic assessment and in-flight response of the transition sections of the unconventional Adaptive Compliant Trailing Edge flaps.

ground vibration test↗
NASA NTRS1983

Interply layer degradation effects on composite structural response

Recent research activities at NASA Lewis Research Center to computationally evaluate the effects of interply layer progressive weakening (degradation) on the structural response of a composite beam are summarized. The structural responses of interest include: (1) bending, (2) buckling, (3) free vibrations, (4) periodic excitation, and (5) impact. Finite element analysis was used for the computational evaluations. The interply layer degradation effects on the various structural responses were determined and assessed as a function of the interply layer modulus varying from 1 million psi down to 1000 psi and even lower for some limiting cases. The results obtained show that the interply layer degradation has generally negligible effects on composite structural response and, therefore, structural integrity, unless the interply layer modulus degrades to about 10,000 psi or less.

Chamis, C. C.↗
DOE OSTI2020

Designing Imidazolium Poly(amide-amide) and Poly(amide-imide) Ionenes and Their Interactions with Mono- and Tris(imidazolium) Ionic Liquids

Here we introduce the synthesis and thermal properties of a series of sophisticated imidazolium ionenes with alternating amide-amide or amide-imide backbone functionality, and investigate the structural effects of mono(imidazolium) and unprecedented tris(imidazolium) ionic liquids (ILs) in these ionenes. The new set of poly(amide-amide) (PAA) and poly(amide-imide) (PAI) ionenes represent the intersection of conventional high-performance polymers with the ionene archetype–presenting polymers with alternating functional and ionic elements precisely sequenced along the backbone. The effects of polymer composition on the thermal properties and morphology were analyzed. Five distinct polymer backbones were synthesized and combined with a stoichiometric equivalent of the IL 1-benzyl-3-methylimidazolium bistriflimide ([Bnmim][Tf 2 N]), which were studied to probe the self-assembly, structuring, and contributions of intermolecular forces when IL is added. Furthermore, three polyamide (PA) or polyimide (PI) ionenes with simpler xylyl linkages were interfaced with [Bnmim][Tf 2 N] as well as a novel amide-linked tris(imidazolium) IL, to demonstrate the structural changes imparted by the inclusion of functional, ionic additives dispersed within the ionene matrix. This work highlights the possibilities for utilizing concepts from small molecules which exhibit supramolecular self-assembly to guide creative design and manipulate the structuring of ionenes.

36 MATERIALS SCIENCE↗
NASA NTRS1974

Ground-state energies of simple metals

A structural expansion for the static ground-state energy of a simple metal is derived. Two methods are presented, one an approach based on single-particle band structure which treats the electron gas as a nonlinear dielectric, the other a more general many-particle analysis using finite-temperature perturbation theory. The two methods are compared, and it is shown in detail how band-structure effects, Fermi-surface distortions, and chemical-potential shifts affect the total energy. These are of special interest in corrections to the total energy beyond third order in the electron-ion interaction and hence to systems where differences in energies for various crystal structures are exceptionally small. Preliminary calculations using these methods for the zero-temperature thermodynamic functions of atomic hydrogen are reported.

Hammerberg, J.↗
DOE OSTI2021

Neural-network model for force prediction in multi-principal-element alloys

Atomistic simulations can provide useful insights into the physical properties of multi-principal-element alloys. However, classical potentials mostly fail to capture key quantum (electronic-structure) effects. Here we present a deep 3D convolutional neural network (3D CNN) based framework combined with a voxelization technique to design interatomic potentials for chemically complex alloys. We highlight the performance of the 3D CNN model and its efficacy in computing potentials using the medium-entropy alloy TaNbMo. In order to provide insights into the effect of voxel resolution, we implemented two approaches based on the inner and outer bounding boxes. An efficient 3D CNN model, which is as accurate as the density-functional theory (DFT) approach, for calculating potentials will provide a promising schema for accurate atomistic simulations of structure and dynamics of general multi-principle element alloys.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Selection Effects in Identifying Magnetic Clouds and the Importance of the Closest Approach Parameter

This study is motivated by the unusually low number of magnetic clouds (MCs) that are strictly identified within interplanetary coronal mass ejections (ICMEs), as observed at 1 AU; this is usually estimated to be around 30% or lower. But a looser definition of MCs may significantly increase this percentage. Another motivation is the unexpected shape of the occurrence distribution of the observers' "closest approach distances" (measured from a MC's axis, and called CA) which drops off somewhat rapidly as |CA| (in % of MC radius) approaches 100%, based on earlier studies. We suggest, for various geometrical and physical reasons, that the |CA|-distribution should be somewhere between a uniform one and the one actually observed, and therefore the 30% estimate should be higher. So we ask, When there is a failure to identify a MC within an ICME, is it occasionally due to a large |CA| passage, making MC identification more difficult, i.e., is it due to an event selection effect? In attempting to answer this question we examine WIND data to obtain an accurate distribution of the number of MCs vs. |CA| distance, whether the event is ICME-related or not, where initially a large number of cases (N=98) are considered. This gives a frequence distribution that is far from uniform, confirming earlier studies. This along with the fact that there are many ICME identification-parameters that do not depend on |CA| suggest that, indeed an MC event selection effect may explain at least part of the low ratio of (No. MCs)/(No. ICMEs). We also show that there is an acceptable geometrical and physical consistency in the relationships for both average "normalized" magnetic field intensity change and field direction change vs. |CA| within a MC, suggesting that our estimates of |CA|, B(sub 0) (magnetic field intensity on the axis), and choice of a proper "cloud coordinate" system (all needed in the analysis) are acceptably accurate. Therefore the MC fitting model (Lepping et al., 1990) is adequate, on average, for our analysis. However, this selection effect is not likely to completely answer our original question, on the unexpected ratio of MCs to ICMEs, so we must look for other factors, such as peculiarities of CME birth conditions. As a by-product of this analysis, we determine that the first order structural effects within a MC due to its interaction with the solar wind, plus the MC's usual expansion at 1 AU (i.e., the non-force free components of the MC's field) are, on average, weakly dependent on radial distance from the MC's axis; that is, in the outer reaches of a typical MC the non-force free effects show up, but even there they are rather weak. Finally, we show that it is not likely that a MC's size distribution statistically controls the occurrence distribution of the estimated |CA|s.

Lepping, R. P.↗