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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Thermoelectric properties of antiperovskite calcium oxides Ca{sub 3}PbO and Ca{sub 3}SnO

We report the thermoelectric properties of polycrystalline samples of Ca{sub 3}Pb{sub 1−x}Bi{sub x}O (x = 0, 0.1, 0.2) and Ca{sub 3}SnO, both crystallizing in a cubic antiperovskite-type structure. The Ca{sub 3}SnO sample shows metallic resistivity and its thermoelectric power approaches 100 μV K{sup −1} at room temperature, resulting in the thermoelectric power factor of Ca{sub 3}SnO being larger than that of Ca{sub 3}Pb{sub 1−x}Bi{sub x}O. On the basis of Hall and Sommerfeld coefficients, the Ca{sub 3}SnO sample is found to be a p-type metal with a carrier density of ∼10{sup 19 }cm{sup −3}, a mobility of ∼80 cm{sup 2} V{sup −1} s{sup −1}, both comparable to those in degenerated semiconductors, and a moderately large hole carrier effective mass. The coexistence of moderately high mobility and large effective mass observed in Ca{sub 3}SnO, as well as possible emergence of a multivalley electronic structure with a small band gap at low-symmetry points in k-space, suggests that the antiperovskite Ca oxides have strong potential as a thermoelectric material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Organic Semiconductor-Containing Supramolecules: Effect of Small Molecule Crystallization and Molecular Packing

Small molecules (SMs) with unique optical or electronic properties provide an opportunity to incorporate functionality into block copolymer (BCP)-based supramolecules. However, the assembly of supramolecules based on these highly crystalline molecules differs from their less crystalline counterparts. In this work, two families of organic semiconductor SMs are investigated, where the composition of the crystalline core, the location (side- vs end-functionalization) of the alkyl solubilizing groups, and the constitution (branched vs linear) of the alkyl groups are varied. With these SMs, we present a systematic study of how the phase behavior of the SMs affects the overall assembly of these organic semiconductor-based supramolecules. The incorporation of SMs has a large effect on the interfacial curvature, the supramolecular periodicity, and the overall supramolecular morphology. The crystal packing of the SM within the supramolecule does not necessarily lead to the assembly of the comb block within the BCP microdomains, as is normally observed for alkyl-containing supramolecules. An unusual lamellar morphology with a wavy interface between the microdomains is observed due to changes in the packing structure of the small molecule within BCP microdomains. Since the supramolecular approach is modular and small molecules can be readily switched out, present studies provide useful guidance toward access supramolecular assemblies over several length scales using optically active and semiconducting small molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Decarbonizing the Building Sector: A Human-Centered Study Focused on Small/Light Commercial Building Energy Equity

Decarbonization of the building sector is no small feat; buildings account for 40% of primary energy consumption, and fossil-fuel combustion in buildings leads to roughly 30% of total greenhouse gas emissions. Energy efficiency, electrification and smart technologies are fundamental strategies to reduce consumption and shift away from fossil-fuel use in buildings. This energy transition carries significant societal risks unless the shift is carried out with equity and justice as a top priority. Low-income, vulnerable and communities of color have higher energy burdens compared to affluent populations. Furthermore, systemic racism and historic exclusionary policies have resulted in increased risks (environmental, climatic, economic, and social) to low-income and communities of color, and underserved communities often do not have financial resources for, or access to, advanced building technologies. The U.S. Department of Energy is funding research to characterize and develop solutions to the challenges of equity and justice that complicate the ability of communities to contribute to goals for decarbonization. Our project has a specific focus on small commercial buildings and the businesses that occupy them. Significantly less is known about the burdens and risks these businesses experience or the challenges they face in pursuing decarbonization, or how those are affected by income and race, in comparison to research on energy equity and justice for diverse households. The project team includes the Pacific Northwest National Laboratory, Arizona State University and Clark Atlanta University. Researchers are conducting semi-structured interviews with small business owners in underserved communities in Phoenix and Atlanta, followed by a survey distributed to the larger community to learn more about the equity and justice issues that communities with different racial, economic, and cultural backgrounds face. Results will help inform an actionable and replicable framework for engaging small commercial building owners/operators to catalyze the reduction of energy burdens and increase equity.

Antonopoulos, Chrissi A.↗
NASA NTRS1994

Simple atmospheric perturbation models for sonic-boom-signature distortion studies

Sonic-boom propagation from flight level to ground is influenced by wind and speed-of-sound variations resulting from temperature changes in both the mean atmospheric structure and small-scale perturbations. Meteorological behavior generally produces complex combinations of atmospheric perturbations in the form of turbulence, wind shears, up- and down-drafts and various wave behaviors. Differences between the speed of sound at the ground and at flight level will influence the threshold flight Mach number for which the sonic boom first reaches the ground as well as the width of the resulting sonic-boom carpet. Mean atmospheric temperature and wind structure as a function of altitude vary with location and time of year. These average properties of the atmosphere are well-documented and have been used in many sonic-boom propagation assessments. In contrast, smaller scale atmospheric perturbations are also known to modulate the shape and amplitude of sonic-boom signatures reaching the ground, but specific perturbation models have not been established for evaluating their effects on sonic-boom propagation. The purpose of this paper is to present simple examples of atmospheric vertical temperature gradients, wind shears, and wave motions that can guide preliminary assessments of nonturbulent atmospheric perturbation effects on sonic-boom propagation to the ground. The use of simple discrete atmospheric perturbation structures can facilitate the interpretation of the resulting sonic-boom propagation anomalies as well as intercomparisons among varied flight conditions and propagation models.

Ehernberger, L. J.↗
DOE OSTI2017

Designing Mixed Detergent Micelles for Uniform Neutron Contrast

Micelle-forming detergents provide an amphipathic environment that mimics lipid bilayers and are important tools used to solubilize and stabilize membrane proteins in solution for in vitro structural investigations. Small-angle neutron scattering (SANS) performed at the neutron contrast match point of detergent molecules allows observing the scattering signal from membrane proteins unobstructed by contributions from the detergent. However, we show here that even for a perfectly average-contrast matched detergent there arises significant core-shell scattering from the contrast difference between aliphatic detergent tails and hydrophilic head groups. This residual signal at the average detergent contrast match point interferes with interpreting structural data of membrane proteins. This complication is often made worse by the presence of excess empty (protein-free) micelles. Here, we present an approach for the rational design of mixed micelles containing a deuterated detergent analog, which eliminates neutron contrast between core and shell, and allows the micelle scattering to be fully contrast matched to unambiguously resolve membrane protein structure using solution SANS.

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

Quasinormal modes, echoes and the causal structure of the Green's function

Quasinormal modes describe the return to equilibrium of a perturbed system, in particular the ringdown phase of a black hole merger. But as globally-defined quantities, the quasinormal spectrum can be highly sensitive to global structure, including distant small perturbations to the potential. In what sense are quasinormal modes a property of the resulting black hole? We explore this question for the linearized perturbation equation with two potentials having disjoint bounded support. We give a composition law for the Wronskian that determines the quasinormal frequencies of the combined system. We show that over short time scales the evolution is governed by the quasinormal frequencies of the individual potentials, while the sensitivity to global structure can be understood in terms of echoes. We introduce an echo expansion of the Green’s function and show that, as expected on general grounds, at any finite time causality limits the number of echoes that can contribute. We illustrate our results with the soluble example of a pair of -function potentials. We explicate the causal structure of the Green’s function, demonstrating under what conditions two very different quasinormal spectra give rise to very similar ringdown waveforms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

Few-body resonances of unequal-mass systems with infinite interspecies two-body s-wave scattering length

Two-component Fermi and Bose gases with infinitely large interspecies s-wave scattering length a{sub s} exhibit a variety of intriguing properties. Among these are the scale invariance of two-component Fermi gases with equal masses, and the favorable scaling of Efimov features for two-component Bose gases and Bose-Fermi mixtures with unequal masses. This paper builds on our earlier work [Phys. Rev. Lett. 105, 170403 (2010)] and presents a detailed discussion of our studies of small unequal-mass two-component systems with infinite a{sub s} in the regime where three-body Efimov physics is absent. We report on nonuniversal few-body resonances. Just like with two-body systems on resonance, few-body systems have a zero-energy bound state in free space and a diverging generalized scattering length. Our calculations are performed within a nonperturbative microscopic framework and investigate the energetics and structural properties of small unequal-mass two-component systems as functions of the mass ratio {kappa}, and the numbers N{sub 1} and N{sub 2} of heavy and light atoms. For purely attractive Gaussian two-body interactions, we find that the (N{sub 1},N{sub 2})=(2,1) and (3,1) systems exhibit three-body and four-body resonances at mass ratios {kappa}=12.314(2) and 10.4(2), respectively. The three- and four-particle systems on resonance are found to be large. It seems feasible that the features discussed in this paper can be probed experimentally with present-day technology.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Evolution of Magnetic Oxygen States in Sr-Doped LaCoO3

Magnetism in La1-xSrxCoO3 as a function of doping is investigated with x-ray absorption spectroscopy and x-ray magnetic circular dicrhoism at the O K edge, and corresponding first principles electronic structure calculations. For small x, the spectra are consistent with the formation of ferromagnetic clusters occurring within a nonmagnetic insulating matrix. Sr-induced, magnetic O-hole states form just above EF and grow with increasing Sr doping. Density functional calculations for x=0 yield a nonmagnetic ground state with the observed rhombohedral distortion and indicates that doping introduces holes at the Fermi level in magnetic states with significant O 2p and Co t2g character for the undistorted pseudocubic structure. Supercell calculations show stronger magnetism on oxygen atoms having more Sr neighbors.

36 MATERIALS SCIENCE↗
DOE OSTI2014

In cellulo structure determination of a novel cypovirus polyhedrin

The crystal structure of a previously unsolved type of cypovirus polyhedrin has been determined from data collected directly from frozen live insect cells. This work demonstrates that with the use of a microfocus synchrotron beam the structure of a novel viral polyhedrin could be successfully determined from microcrystals within cells, removing the preparatory step of sample isolation and maintaining a favourable biological environment. The data obtained are of high quality, comparable to that obtained from isolated crystals, and enabled a facile structure determination. A small but significant difference is observed between the unit-cell parameters and the mosaic spread of in cellulo and isolated crystals, suggesting that even these robust crystals are adversely affected by removal from the cell.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1999

Latest Results from the Mars Pathfinder Atmospheric Structure Investigation

The Mars Pathfinder Atmospheric Structure Investigation (ASI) obtained information on Martian atmospheric structure from three science accelerometers, which measured the deceleration of the probe at all levels in the atmosphere. Entry, descent, and landing occurred within 850 km of the Viking 1 landing site and somewhat later in northern summer. Pathfinder entered at 3 AME Local Mars Time (LMT), which provided the first opportunity to study Mars' nighttime atmospheric structure, and Viking 1 entered at 4:15 PME LMT. Magalhaes et al and Schofield et al have previously reported on the analysis of accelerometer measurements from the entry phase, which ended at about 8.5 km. The derived temperature profile extends from 140 km altitude down to 8.9 km, with a vertical resolution ranging from 250 meters to 50 meters, respectively. Here we report on a refined analysis of the Pathfinder entry phase ASIE data in which the effects of the small angular motions of the entry vehicle have been removed, thus enabling a search for small amplitude and small vertical wavelength structures. In addition, we will report on the atmospheric structure at altitudes below 8 km which is being derived from the accelerometer data acquired during the parachute descent phase. Additional information is contained in the original extended abstract.

Magalhaes, J. A.↗
DOE OSTI2023

Azimuthal structures and turbulent transport in Penning discharge

Azimuthal structures in cylindrical Penning discharge are studied with a 2D3V radial–azimuthal PIC/MCC model with the axial magnetic field. The discharge is self-consistently supported by ionization due to the axial injection of electrons. It is shown that the steady-state discharge can be supported in two different regimes with different types of observed azimuthal structures. The transition between the regimes is controlled by the mechanism of the energy input to the discharge. In the first regime (low energy of the injected electrons), with the pronounced m = 1 spoke activity, the power input is dominated by the energy absorption due to the radial current and self-consistent electric field. In the other regime (higher energy of the injected electrons), with prevalent small-scale m > 1 spiral structures, and the lower values of the anomalous transport, the total energy deposited to the discharge is lower and is mostly due to the direct input of the kinetic energy from the axial electron beam. Here we show that the large (m = 1) spoke and small-scale structures occur as a result of Simon–Hoh and lower hybrid instabilities driven by the electric field, density gradient, and collisions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

One-step fabrication of submicrostructures by low one-photon absorption direct laser writing technique with local thermal effect

In this work, local thermal effect induced by a continuous-wave laser has been investigated and exploited to optimize the low one-photon absorption (LOPA) direct laser writing (DLW) technique for fabrication of polymer-based microstructures. It was demonstrated that the temperature of excited SU8 photoresist at the focusing area increases to above 100 °C due to high excitation intensity and becomes stable at that temperature thanks to the use of a continuous-wave laser at 532 nm-wavelength. This optically induced thermal effect immediately completes the crosslinking process at the photopolymerized region, allowing obtain desired structures without using the conventional post-exposure bake (PEB) step, which is usually realized after the exposure. Theoretical calculation of the temperature distribution induced by local optical excitation using finite element method confirmed the experimental results. LOPA-based DLW technique combined with optically induced thermal effect (local PEB) shows great advantages over the traditional PEB, such as simple, short fabrication time, high resolution. In particular, it allowed the overcoming of the accumulation effect inherently existed in optical lithography by one-photon absorption process, resulting in small and uniform structures with very short lattice constant.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Mechanical properties of several Fe-Ni meteorites

The strength and elastic constants of meteorites are of increasing interest as predictions of meteorite impacts on earth come within the realm of possibility. In addition, meteorite impacts on extraterrestrial bodies provide an excellent sampling tool for evaluation of planetary compositions and properties. Fe-Ni meteorites provide a well-defined group of materials of fairly uniform composition. Iron-nickel meteorites exhibit a unique lamellar microstructure, a Widmanstatten structure, consisting of small regions with steep-iron-nickel composition gradients. This microstructure is found in the Fe-Ni system only in meteorites, and is believed to arise as a result of slow cooling in a planetary core or other large mass. Meteorites with compositions consisting of between 5 and 17% nickel in iron are termed 'octahedrite,' and further characterized according to the width of the Ni-poor kamacite bands; 'fine,' (0.2-0.5 mm) 'medium,' (0.5-1.3 mm) and 'coarse,' (1.5-3.3 mm). Many meteorites have inclusions and structures indicating that the material has been shocked at some point early in its evolution. Several Iron-nickel meteorites have been examined using Vickers and spherical indentation, x-ray fluorescence, and EBSD. Direct observation of mechanical properties in these highly structured materials provides a valuable supplement to bulk measurements, which frequently exhibit large variation in dynamic properties, even within a single sample. Previous studies of the mechanical properties of a typical iron-nickel meteorite, a Diablo Canyon specimen, indicated that the strength of the composite was higher by almost an order of magnitude than values obtained from laboratory-prepared specimens. Additional meteorite specimens have been examined to establish a range of error on the previously measured yield, to determine the extent to which deformation upon re-entry contributes to yield, and to establish the degree to which the strength varies as a function of microstructure.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Comment on “Microhydration of Biomolecules: Revealing the Native Structures by Cold Ion IR Spectroscopy”

This paper presents a re-examination of the conclusions of a study reported in The Journal of Physical Chemistry Letters (Saparbaev et al., 2021, 12, 907) that compared the structure of microsolvated ions formed by electrospray ionization to those formed in the gas-phase via a previously published cryogenic ion trap approach. We conducted additional experiments that clearly show that most of the observed differences in the IR spectra can be accounted for by considering the different spectroscopic action schemes used to obtain them. In particular, the presence of the D 2 -tag induces shifts in some of the N-H and O-H peaks which need to be carefully considered before comparing spectra. Furthermore, once these spectral effects are taken into account, we show that both clustering approaches yields similar clusters structures for the small GlyH + (H 2 O)n species. Using unimolecular reaction rate theory, we also show that for the small complexes considered here, only the gas-phase equilibrium distribution of conformers should be expected in both experimental approaches. In addition, the barrier heights necessary to kinetically trap high-energy conformers at 298K is explored using a series of model polyalanine chains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Crystal structure of fluorite-related Ln{sub 3}SbO{sub 7} (Ln=La–Dy) ceramics studied by synchrotron X-ray diffraction and Raman scattering

Ln{sub 3}SbO{sub 7} (Ln=La, Pr, Nd, Sm, Eu, Gd, Tb and Dy) ceramics were synthesized by solid-state reaction in optimized conditions of temperature and time to yield single-phase ceramics. The crystal structures of the obtained ceramics were investigated by synchrotron X-ray diffraction, second harmonic generation (SHG) and Raman scattering. All samples exhibited fluorite-type orthorhombic structures with different oxygen arrangements as a function of the ionic radius of the lanthanide metal. For ceramics with the largest ionic radii (La–Nd), the ceramics crystallized into the Cmcm space group, while the ceramics with intermediate and smallest ionic radii (Sm–Dy) exhibited a different crystal structure belonging to the same space group, described under the Ccmm setting. The results from SHG and Raman scattering confirmed these settings and ruled out any possibility for the non-centrosymmetric C222{sub 1} space group describing the structure of the small ionic radii ceramics, solving a recent controversy in the literature. Besides, the Raman modes for all samples are reported for the first time, showing characteristic features for each group of samples. - Graphical abstract: Raman spectrum for La{sub 3}SbO{sub 7} ceramics showing their 22 phonon modes adjusted through Lorentzian lines. According to synchrotron X-ray diffraction and Raman scattering, this material belongs to the space group Cmcm. - Highlights: • Ln{sub 3}SbO{sub 7} ceramics belonging to the space groups Cmcm and Ccmm are synthesized. • SXRD, SHG and Raman scattering confirmed the orthorhombic structures. • Ccmm instead of C222{sub 1} is the correct one based on SHG and Raman data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

The solar probe and coronal dynamics

The discovery of coronal holes led to basic changes in ideas about the structure of the low corona and its expansion into the solar wind. The nature of the energy flux is not understood. Current ideas include enhanced thermal conductivities, extended MHD wave heating, and wave momentum transfer, all in rapidly diverging geometries. There is little feel for the relative importance of these processes. The Solar Probe, with its penetration deep into the solar corona, could lead to observational constraints on their relative importance, and thus to an understanding of the origin of the solar wind. Observations from the Solar Probe will also bear on such questions as to whether small scale "intrastream" structure is common close to the Sun in open field-line regions, whether the properties of the wind are pronouncedly different over closed and open field-line regions at five solar radii, and many others. The resolution of these questions requires measurements of the magnetic field and of the proton and electron distribution functions.

Belcher, J.↗
DOE OSTI2013

Silver silicates with three-dimensional d{sup 10}-d{sup 10} interactions as visible light active photocatalysts for water oxidation

Ag{sub 2}SiO{sub 3} and Ag{sub 9}(SiO{sub 4}){sub 2}NO{sub 3} with the short Ag–Ag bond distances close to metallic Ag have optical band gaps of 2.6 eV and 2.0 eV, respectively. They oxidized water molecules to oxygen with the rates of 98 and 194 μmol/g · h by the 280 mW/cm{sup 2} visible-light illumination, and decolorized organic dye more than 10 times faster than the commercialized WO{sub 3} and TiO{sub 2}. Based on the electronic structure calculation, their small band gaps and superior carrier transport property are correlated with the spatial proximity between Ag ions stabilized by d{sup 10}-d{sup 10} interaction, which promotes the descent and dispersion of conduction bands by increasing Ag 5s/5p orbital overlaps.

36 MATERIALS SCIENCE↗
NASA NTRS2008

Structural Maps of the V-17 Beta Regio Quadrangle, Venus

These represent slices of the geologic map into 7 time-stratigraphic levels whose descriptions are found in [3-6]. From older to younger they are: 1) Tessera material unit (t), 2) Densely fractured plains material unit (pdf), 3) Fractured and ridged plains material unit (pfr), 4) Tessera transitional terrain structural unit (tt), 5) Fracture belts structural unit (fb), 6) Shield plains (psh) and plains with wrinkle ridges (pwr) material units combined, and 7) Lobate (pl) and smooth (ps) plains material units combined and, approximately contemporaneous with them, the structural unit of rifted terrain (rt). Each slice shows the generalized pattern of structures typical of these units. Figures 1-7 show the seven maps and Figure 8 shows the combined map illustrating what is shown in the seven maps. To visualize the Beta Regio uplift outlines, the major structure of this area, we show the +0.5 km and +2.5 km contour lines, corresponding respectively to the base and the mid-height of the uplift. It is seen in Figures 1-2 and 4 the trends of t, pdf and tt occupy relatively small areas and their structures seen in these small windows appear rather variable and with almost no orientation heritage with time. Figure 3 shows that swarms of ridge belts trend mostly NW and go through the Beta structure with no alignment with it, suggesting that this structure did not yet exist at this time. Figure 5 shows that fracture belts align along the northern base of the Beta uplift suggesting onset of the formation of this structure. Figure 6 shows that wrinkle ridges do not show alignment with the Beta uplift suggesting that this already forming structure was not high enough to exert topographic stress in its vicinity. Figure 7 shows that the Beta uplift has Devana Chasma as an axial rift zone, suggesting a genetic link between the uplift and rifting. Figure 8 shows that structural trends in this area significantly changed with time.

Basilevsky, A. t.↗