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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Characterization of the lid-driven cavity magnetohydrodynamic flow at finite magnetic Reynolds numbers using far-field magnetic boundary conditions

The lid-driven cavity (LDC) flow is a canonic hydrodynamic problem. In this work, a 3D LDC flow of electrically conducting, incompressible fluid is studied numerically in the presence of a strong magnetic field, which is applied parallel to the lid plane and perpendicular to the direction of the lid motion. The cavity has electrically conducting walls of finite thickness and an infinitely thin moving lid. The problem is characterized by three dimensionless parameters: the Reynolds number ( Re ), the Hartmann number ( Ha ), and the magnetic Reynolds number ( Re m ). The primary research focus is on the effect of Re m , which was changed in the study from Re m $\ll$ 1 to the maximal Re m = 2000 at which dynamo action may be expected, while Ha = 100 and Re = 2000. The computational approach is based on the utilization of far-field magnetic boundary conditions by solving the full magnetohydrodynamic (MHD) flow problem at finite Re m for a multi-material domain composed of the inner conducting liquid, conducting walls, and sufficiently large insulating outer domain called “vacuum” (the induced magnetic field vanishes at the vacuum boundaries) using a fractional-step method. Lastly, the computed results show many interesting features with regard to the effect of Re m on the MHD boundary layer and the bulk flow, generation of a magnetic field and its penetration into vacuum, energy balance, tendency of the magnetic field to become frozen in the fluid and associated magnetic flux expulsion, transition to unsteady flows, and self-excitation of the magnetic field and the associated dynamo-type action at high Re m

42 ENGINEERING↗
DOE OSTI2018

Defectoscopy of ZnGeP{sub 2} single crystals using a strontium vapour laser

A modified method of optical defectoscopy of ZnGeP{sub 2} single crystal plates using a strontium vapour laser (λ = 1.03 and 1.09 μm) is proposed based on shadow imaging of internal defects in plates cut parallel to the (100) plane. It is shown that the use of a strontium vapour laser with a wavelength of 6.45 mm makes it possible to study inhomogeneities in large-size ZnGeP{sub 2} samples. The possibility of fabricating a projection defectoscope for monitoring breakdown development in ZnGeP{sub 2} crystals is considered. (laser applications)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

The smectic Z A phase: Antiferroelectric smectic order as a prelude to the ferroelectric nematic

We have structurally characterized the liquid crystal (LC) phase that can appear as an intermediate state when a dielectric nematic, having polar disorder of its molecular dipoles, transitions to the almost perfectly polar-ordered ferroelectric nematic. This intermediate phase, which fills a 100-y-old void in the taxonomy of smectic LCs and which we term the “smectic Z A ,” is antiferroelectric, with the nematic director and polarization oriented parallel to smectic layer planes, and the polarization alternating in sign from layer to layer with a 180 Å period. A Landau free energy, originally derived from the Ising model of ferromagnetic ordering of spins in the presence of dipole–dipole interactions, and applied to model incommensurate antiferroelectricity in crystals, describes the key features of the nematic–SmZ A –ferroelectric nematic phase sequence.

36 MATERIALS SCIENCE↗
DOE OSTI2014

The PAndAS field of streams: Stellar structures in the milky way halo toward Andromeda and Triangulum

We reveal the highly structured nature of the Milky Way (MW) stellar halo within the footprint of the Pan-Andromeda Archaeological Survey (PAndAS) photometric survey from blue main sequence (MS) and MS turn-off stars. We map no fewer than five stellar structures within a heliocentric range of ∼5-30 kpc. Some of these are known (the Monoceros Ring, the Pisces/Triangulum globular cluster stream), but we also uncover three well-defined stellar structures that could be, at least partly, responsible for the so-called Triangulum/Andromeda and Triangulum/Andromeda 2 features. In particular, we trace a new faint stellar stream located at a heliocentric distance of ∼17 kpc. With a surface brightness of Σ {sub V} ∼ 32-32.5 mag arcsec{sup –2}, it follows an orbit that is almost parallel to the Galactic plane north of M31 and has so far eluded surveys of the MW halo as these tend to steer away from regions dominated by the Galactic disk. Investigating our follow-up spectroscopic observations of PAndAS, we serendipitously uncover a radial velocity signature from stars that have colors and magnitudes compatible with the stream. From the velocity of eight likely member stars, we show that this stellar structure is dynamically cold, with an unresolved velocity dispersion that is lower than 7.1 km s{sup –1} at the 90% confidence level. Along with the width of the stream (300-650 pc), its dynamics point to a dwarf-galaxy-accretion origin. The numerous stellar structures we can map in the MW stellar halo between 5 and 30 kpc and their varying morphology is a testament to the complex nature of the stellar halo at these intermediate distances.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

ENSEMBLE SIMULATIONS OF PROTON HEATING IN THE SOLAR WIND VIA TURBULENCE AND ION CYCLOTRON RESONANCE

Protons in the solar corona and heliosphere exhibit anisotropic velocity distributions, violation of magnetic moment conservation, and a general lack of thermal equilibrium with the other particle species. There is no agreement about the identity of the physical processes that energize non-Maxwellian protons in the solar wind, but a traditional favorite has been the dissipation of ion cyclotron resonant Alfvén waves. This paper presents kinetic models of how ion cyclotron waves heat protons on their journey from the corona to interplanetary space. It also derives a wide range of new solutions for the relevant dispersion relations, marginal stability boundaries, and nonresonant velocity-space diffusion rates. A phenomenological model containing both cyclotron damping and turbulent cascade is constructed to explain the suppression of proton heating at low alpha-proton differential flow speeds. These effects are implemented in a large-scale model of proton thermal evolution from the corona to 1 AU. A Monte Carlo ensemble of realistic wind speeds, densities, magnetic field strengths, and heating rates produces a filled region of parameter space (in a plane described by the parallel plasma beta and the proton temperature anisotropy ratio) similar to what is measured. The high-beta edges of this filled region are governed by plasma instabilities and strong heating rates. The low-beta edges correspond to weaker proton heating and a range of relative contributions from cyclotron resonance. On balance, the models are consistent with other studies that find only a small fraction of the turbulent power spectrum needs to consist of ion cyclotron waves.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Magnetic anisotropy and entropy change in trigonal Cr 5 Te 8

We present a comprehensive investigation of the anisotropic magnetic and magnetocaloric properties of quasi-two-dimensional weak itinerant ferromagnet trigonal Cr 5 Te 8 single crystals. Magnetic-anisotropy-induced satellite transition T * is observed at low fields applied parallel to the ab plane below the Curie temperature ( T c ~ 230K). T * is featured by an anomalous magnetization downturn, similar to that in structurally related CrI 3 , which possibly stems from an in-plane antiferromagnetic alignment induced by out-of-plane ferromagnetic spins canting. Magnetocrystalline anisotropy is also reflected in magnetic entropy change Δ S M ( T , H ) and relative cooling power. Furthermore, given the high Curie temperature, Cr 5 Te 8 crystals are materials of interest for nanofabrication in basic science and applied technology.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Incommensurate spin density wave and magnetocaloric effect in the metallic triangular lattice HoAl 2 Ge 2

Here, we report the magnetic structure and the magnetocaloric effect (MCE) of the ternary compound HoAl 2 Ge 2 with a trigonal CaAl 2 Si 2 -type crystal structure. A neutron powder diffraction experiment reveals that HoAl 2 Ge 2 exhibits an incommensurate spin density wave (SDW) with a propagation vector k=(0.23,0,0.06). The special arrangement of magnetic moments in HoAl 2 Ge 2 induces interesting physical phenomena and large magnetocaloric effects. The rise in resistivity at low temperatures indicates the effect of the SDW state in the electronic transport. The maximum magnetic-entropy change is –16.1J/kg K under a magnetic field change of 0–70 kOe for an isotropic HoAl 2 Ge 2 powder and it increases to –17.9J/kg K for a single crystal when the magnetic field (H) is applied parallel to the ab plane. A large rotating magnetic-entropy change of –5.1J/kg K for H=20 kOe in a HoAl 2 Ge 2 single crystal is obtained, which is closely associated to the magnetic anisotropy of the SDW order and its response to the external magnetic field. We discuss the large MCE in terms of the field-induced metamagnetic transition from the incommensurate SDW order to the ferromagnetic order. Our study establishes the triangular lattice R Al 2 Ge 2 (R=rare-earth elements) as a unique family of compounds to explore the existence of the incommensurate spin density waves and the correlated physical properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Crystal structure of tetrakis(acetylacetonato)dichloridodi-μ 3 -methanolato-tetra-μ 2 -methanolato-tetrairon(III)

The title complex, [Fe 4 (C 5 H 7 O 2 ) 4 (CH 3 O) 6 Cl 2 ] or [Fe 4 (acac) 4 (μ 2 -OMe) 4 (μ 3 -OMe) 2 Cl 2 ] (acac = acetylacetonate), crystallizes in the orthorhombic Pbca space group with one half of the molecule per asymmetric unit, the other half being completed by inversion symmetry. The core structure consists of a face-sharing double pseudo-cubane entity with two opposite corners missing. Weak C—H...Cl intermolecular interactions result in a two-dimensional layered structure parallel to the ac plane.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A co-crystal of nonahydrated disodium(II) with mixed anions from m-chlorobenzoic acid and furosemide

In the title compound, [Na 2 (H 2 O) 9 ](C 7 H 4 ClO 2 )(C 12 H 10 ClN 2 O 5 S) {systematic name: catena-poly[[[triaquasodium(I)]-di-μ-aqua-[triaquasodium(I)]-μ-aqua] 3-chlorobenzoate 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoate]}, both the original m-chlorobenzoic acid and furosemide exist with deprotonated carboxylates, and the sodium cations and water molecules exist in chains with stoichiometry [Na 2 (OH 2 ) 9 ] 2+ that propagate in the [-110] direction. Each of the two independent Na + ions is coordinated by three monodentate water molecules, two double-water bridges, and one single-water bridge. There is considerable cross-linking between the [Na 2 (OH 2 ) 9 ] 2+ chains and to furosemide sulfonamide and carboxylate by intermolecular O—H...O hydrogen bonds. All hydrogen-bond donors participate in a complex two-dimensional array parallel to the ab plane. The furosemide NH group donates an intramolecular hydrogen bond to the carboxylate group, and the furosemide NH 2 group donates an intramolecular hydrogen bond to the Cl atom and an intermolecular one to the m-chlorobenzoate O atom. The plethora of hydrogen-bond donors on the cation/water chain leads to many large rings, up to graph set R 4 4 (24), involving two chains and two furosemide anions. The chlorobenzoate is involved in only one R 2 2 (8) ring, with two water molecules cis-coordinated to Na. The furan O atom is not hydrogen bonded.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Crystal structure of pentasodium hydrogen dicitrate from synchrotron X-ray powder diffraction data and DFT comparison

The crystal structure of pentasodium hydrogen dicitrate, Na 5 H(C 6 H 5 O 7 ) 2 , has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional techniques. Each of the two independent citrate anions is joined into a dimer by very strong centrosymmetric O—H...O hydrogen bonds, with O...O distances of 2.419 and 2.409 Å. Four octahedrally coordinated Na + ions share edges to form open layers parallel to the ab plane. A fifth Na + ion in trigonal–bipyramidal coordination shares faces with NaO 6 octahedra on both sides of these layers.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Development and characterization of a three-dimensional radiochromic film stack dosimeter for megavoltage photon beam dosimetry

Purpose: Three-dimensional (3D) dosimeters are particularly useful for verifying the commissioning of treatment planning and delivery systems, especially with the ever-increasing implementation of complex and conformal radiotherapy techniques such as volumetric modulated arc therapy. However, currently available 3D dosimeters require extensive experience to prepare and analyze, and are subject to large measurement uncertainties. This work aims to provide a more readily implementable 3D dosimeter with the development and characterization of a radiochromic film stack dosimeter for megavoltage photon beam dosimetry. Methods: A film stack dosimeter was developed using Gafchromic{sup ®} EBT2 films. The dosimeter consists of 22 films separated by 1 mm-thick spacers. A Virtual Water™ phantom was created that maintains the radial film alignment within a maximum uncertainty of 0.3 mm. The film stack dosimeter was characterized using simulations and measurements of 6 MV fields. The absorbed-dose energy dependence and orientation dependence of the film stack dosimeter were investigated using Monte Carlo simulations. The water equivalence of the dosimeter was determined by comparing percentage-depth-dose (PDD) profiles measured with the film stack dosimeter and simulated using Monte Carlo methods. Film stack dosimeter measurements were verified with thermoluminescent dosimeter (TLD) microcube measurements. The film stack dosimeter was also used to verify the delivery of an intensity-modulated radiation therapy (IMRT) procedure. Results: The absorbed-dose energy response of EBT2 film differs less than 1.5% between the calibration and film stack dosimeter geometries for a 6 MV spectrum. Over a series of beam angles ranging from normal incidence to parallel incidence, the overall variation in the response of the film stack dosimeter is within a range of 2.5%. Relative to the response to a normally incident beam, the film stack dosimeter exhibits a 1% under-response when the beam axis is parallel to the film planes. Measured and simulated PDD profiles agree within a root-mean-square difference of 1.3%. In-field film stack dosimeter and TLD measurements agree within 5%, and measurements in the field penumbra agree within 0.5 mm. Film stack dosimeter and TLD measurements have expanded (k = 2) overall measurement uncertainties of 6.2% and 5.8%, respectively. Film stack dosimeter measurements of an IMRT dose distribution have 98% agreement with the treatment planning system dose calculation, using gamma criteria of 3% and 2 mm. Conclusions: The film stack dosimeter is capable of high-resolution, low-uncertainty 3D dose measurements, and can be readily incorporated into an existing film dosimetry program.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2015

WE-EF-207-02: The Rotate-Plus-Shift C-Arm Trajectory: Theory and First Clinical Results

Purpose: The proposed method enables the acquisition of a complete dataset for 3D reconstruction of C-Arm data using less than 180° rotation. Methods: Typically a C–arm cone–beam CT scan is performed using a circle–like trajectory around a region of interest. Therefore an angular range of at least 180° plus fan–angle must be covered to ensure a completely sampled data set. This fact defines some constraints on the geometry and technical specifications of a C–arm system, for example a larger C radius or a smaller C opening respectively. This is even more important for mobile C-arm devices which are typically used in surgical applications.To overcome these limitations we propose a new trajectory which requires only 180° minusfan–angle of rotation for a complete data set. The trajectory consists of three parts: A rotation of the C around a defined iso–center and two translational movements parallel to the detector plane at the begin and at the end of the rotation (rotate plus shift trajectory). This enables the acquisition of a completely sampled dataset using only 180° minus fan–angle of rotation. Results: For the evaluation of the method we show simulated and measured data. The results show, that the rotate plus shift scan yields equivalent image quality compared to the short scan which is assumed to be the gold standard for C-arm CT today. Compared to the pure rotational scan over only 165°, the rotate plus shift scan shows strong improvements in image quality. Conclusion: The proposed method makes 3D imaging using C–arms with less than 180° rotation range possible. This enables integrating full 3D functionality into a C- arm device without any loss of handling and usability for 2D imaging.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

3D localization of electrophysiology catheters from a single x-ray cone-beam projection

Purpose: X-ray images allow the visualization of percutaneous devices such as catheters in real time but inherently lack depth information. The provision of 3D localization of these devices from cone beam x-ray projections would be advantageous for interventions such as electrophysiology (EP), whereby the operator needs to return a device to the same anatomical locations during the procedure. A method to achieve real-time 3D single view localization (SVL) of an object of known geometry from a single x-ray image is presented. SVL exploits the change in the magnification of an object as its distance from the x-ray source is varied. The x-ray projection of an object of interest is compared to a synthetic x-ray projection of a model of said object as its pose is varied. Methods: SVL was tested with a 3 mm spherical marker and an electrophysiology catheter. The effect of x-ray acquisition parameters on SVL was investigated. An independent reference localization method was developed to compare results when imaging a catheter translated via a computer controlled three-axes stage. SVL was also performed on clinical fluoroscopy image sequences. A commercial navigation system was used in some clinical image sequences for comparison. Results: SVL estimates exhibited little change as x-ray acquisition parameters were varied. The reproducibility of catheter position estimates in phantoms denoted by the standard deviations, (σ{sub x}, σ{sub y}, σ{sub z}) = (0.099 mm, 0.093 mm, 2.2 mm), where x and y are parallel to the detector plane and z is the distance from the x-ray source. Position estimates (x, y, z) exhibited a 4% systematic error (underestimation) when compared to the reference method. The authors demonstrated that EP catheters can be tracked in clinical fluoroscopic images. Conclusions: It has been shown that EP catheters can be localized in real time in phantoms and clinical images at fluoroscopic exposure rates. Further work is required to characterize performance in clinical images as well as the sensitivity to clinical image quality.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Absolute Configuration of Andrographolide and Its Proliferation of Osteoblast Cell Lines

Andrographolide, C{sub 20}H{sub 30}O{sub 5}, is a labdane diterpenoid which was isolated from the leave of Andrographis paniculata. Its crystal structure is determined by single crystal X-ray diffraction: monoclinic, sp. gr. P2{sub 1}, Z = 2. Absolute configuration is determined by the refinement of the Flack parameter to 0.21(19). In the crystal, molecules are linked by O–H···O hydrogen bonds and C–H···O interactions into two dimensional network parallel to the (001) plane. Its proliferation of osteoblast cell lines is reported.

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

Synthesis, Crystal Structure, Antioxidant, and α-Glucosidase Inhibitory Activities of Methoxy-substituted Benzohydrazide Derivatives

Eight methoxy substituted at the benzylidene moiety benzohydrazide derivatives [R = 2-OCH{sub 3} (1), 3-OCH{sub 3} (2), 4-OCH{sub 3} (3), 2,3-(OCH{sub 3}){sub 2} (4), 3,4-(OCH{sub 3}){sub 2} (5), 2,4,5-(OCH{sub 3}){sub 3} (6), 2,4,6-(OCH{sub 3}){sub 3} (7), and 3,4,5-(OCH{sub 3}){sub 3} (8)] were synthesized and characterized by {sup 1}H NMR, FT-IR and UV-Vis spectroscopy. The crystal structure of 4 was determined by single crystal X-ray diffraction (sp. gr. Pbca, Z = 8). The molecule is slightly twisted with the dihedral angle between the two phenyl rings being 9.33(14)°. The methoxy group at the ortho position is twisted [C–O–C–C angle is–109.2(3)°] whereas the other at meta position is co-planar with the attached benzene ring. In the crystal packing, the molecules are linked into two-dimensional network parallel to the (001) plane by O–H···O, O–H···N, and N–H···O hydrogen bonds. Compounds 1–8 were evaluated for an antioxidant and α-glucosidase inhibitory activities and the results suggested that the −OCH{sub 3} substituent was ineffective for bioactivity enhancement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Diagnostics of the efficiency of surface plasmon-polariton excitation by quantum dots via polarization measurements of the output radiation

It is demonstrated that the efficiency of surface plasmon-polariton excitation at a metal-semiconductor interface by active quantum dots can be determined from measurements of the polarization characteristics of the output radiation. Experimentally, the proposed diagnostic method is based on finding the ratio of the intensities of the output radiation with polarizations orthogonal and parallel to the nanoheterostructure plane for two different distances between the quantum-dot layer and the metal-semiconductor interface. These data are then used to obtain the unknown parameters in the proposed mathematical model which makes it possible to calculate the rate of surface plasmon-polariton excitation by active quantum dots. As a result, this rate can be determined without complicated expensive equipment for fast time-resolved measurements.

36 MATERIALS SCIENCE↗
DOE OSTI2019

New Direction in the Application of Thermoelectric Energy Converters

In southern countries, including European states, solar collectors for additional water-heating systems are widely used. However, the disadvantage of such systems is that a considerable proportion of solar energy cannot be used with increasing water temperature and dissipates into the environment. It is proposed to use waste heat at a high temperature, which is supplied to a thermoelectric generator (TEG) operating on the basis of a temperature difference between the hot water in the solar collector and cold water supplied to a radiator on the other TEG side. This is a new application of thermoelectric converters, in which the converter can act not only as a source of electrical energy but also as a source of low-potential heat coming from the radiator. The total conversion efficiency in such devices can reach 90%. It is shown that the use of p-type legs in a TEG with the cleavage planes of the legs parallel to the heat-flux direction instead of the conventional parallel orientation results in an increase in the thermoelectric efficiency by 25% on average in the temperature range of 100–300°C.

14 SOLAR ENERGY↗
DOE OSTI2015

Linking preferred orientations to elastic anisotropy in Muderong Shale, Australia

The significance of shales as unconventional hydrocarbon reservoirs, nuclear waste repositories, and geological carbon storage has opened new research frontiers in geophysics. Among many of its unique physical properties, elastic anisotropy has long been investigated by both experimental and computational approaches. Here we calculate elastic properties of Cretaceous Muderong Shale from Australia with a self-consistent averaging method based on microstructural information. The volume fraction and crystallographic preferred orientation distributions of constituent minerals are based on synchrotron X-ray diffraction experiments. Aspect ratios of minerals and pores, determined from scanning electron microscopy (SEM), are introduced in the self-consistent averaging. Our analysis suggests that phyllosilicates (i.e., illite-mica, illite-smectite, kaolinite, and chlorite) are dominant with ~70 vol.%. The shape of clay platelets displays an average aspect ratio of 0.05. These platelets are aligned parallel to the bedding plane with a rather high degree of preferred orientation. The estimated porosity at ambient pressure is ~17 vol.% and is divided into equiaxial pores and flat pores with an average aspect ratio of 0.01. Our model shows results (e.g. at pressure of ~50 MPa with C 11 = 26.3; C 13 =12.5; C 33 = 18.2; C 44 = 2.8; C 66 = 6.8 [GPa]) that compare satisfactorily with values derived from ultrasonic velocity measurements (C 11 = 26.6; C 13 = 16.2; C 33 = 18.3; C 44 = 4.5; C 66 = 8.8 [GPa]), confirming the validity and reliability of our approximations and averaging approach.

58 GEOSCIENCES↗