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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Shielded magnetic small-angle neutron scattering for characterization of radioactive samples

The development of a Pb-shielded fixture for the execution of a small-angle neutron scattering (SANS)-based workflow for interrogation of highly irradiated nuclear materials has been explored. The Pb shielding was specially designed to reduce the detected radioactivity from the specimen during SANS experiments, and the overall configuration is termed shielded magnetic SANS (SM-SANS). Two FeCrAl-based alloys, C35M and 125YF, were examined with the SM-SANS technique using a free-form size distribution locally monodisperse model in both the as-received and irradiated states. Quantitative values derived from the free-form size distribution were compared with atom probe tomography experiments. Microstructural and compositional parameters determined using the two characterization techniques were complements of each other. The results demonstrate that the SM-SANS technique is an effective means of characterizing nanoscale clustering in irradiated material systems and provides new avenues for investigating radioactive material microstructures.

FeCrAl↗
DOE OSTI2022

Formation and Reconnection of Electron Scale Current Layers in the Turbulent Outflows of a Primary Reconnection Site

We simulate with 3D particle in cell, the spontaneous formation of turbulent outflows in an initially laminar 3D reconnecting current layer. We observe the formation of many secondary current layers and reconnection sites in the outflow. The approach we follow is to study each individual feature within the turbulent outflow. To identify all clusters of current in the outflow we use a clustering technique widely used in unsupervised machine learning: density-based spatial clustering of applications with noise. Once the clusters are identified we measure their size and compute reconnection indicators to establish which are undergoing reconnection. With this analysis we establish that the size of the current clusters reaches all the way from its initial system scale down to subelectron skin depth scale. We observe that the smaller current clusters are more prone to reconnecting and to releasing energy. We then find the process of reconnection of the smaller current cluster to be of the recently observed electron-only type that leaves the ions essentially unaffected.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

The Localized Active Space Method with Unitary Selective Coupled Cluster

Here, we introduce a hybrid quantum-classical algorithm, the localized active space unitary selective coupled cluster singles and doubles (LAS-USCCSD) method. Derived from the localized active space unitary coupled cluster (LAS-UCCSD) method, LAS-USCCSD first performs a classical LASSCF calculation, then selectively identifies the most important parameters (cluster amplitudes used to build the multireference UCC ansatz) for restoring interfragment interaction energy using this reduced set of parameters with the variational quantum eigensolver method. We benchmark LAS-USCCSD against LAS-UCCSD by calculating the total energies of (H 2 ) 2 , (H 2 ) 4 , and trans-butadiene, and the magnetic coupling constant for a bimetallic compound [Cr 2 (OH) 3 (NH 3 ) 6 ] 3+ . For these systems, we find that LAS-USCCSD reduces the number of required parameters and thus the circuit depth by at least 1 order of magnitude, an aspect which is important for the practical implementation of multireference hybrid quantum-classical algorithms like LAS-UCCSD on near-term quantum computers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Origin and dynamics of emission line clouds in cooling flow environments

The author suggests that since clouds are born co-moving in a turbulent intra-cluster medium (ICM), the allowed parameter space can now be opened up to a more acceptable range. Large-scale motions can be driven in the central parts of cooling flows by a number of mechanisms including the motion of the central and other galaxies, and the dissipation of advected, focussed rotational and magnetic energy. In addition to the velocity width paradox, two other paradoxes (Heckman et al. 1989) can be solved if the ICM is turbulent. Firstly, the heating source for the emission line regions has always been puzzling - line luminosities are extremely high for a given (optical or radio) galaxy luminosity compared to those in non-cooling flow galaxies, therefore a mechanism peculiar to cooling flows must be at work. However most, if not all, previously suggested heating mechanisms either fail to provide enough ionization or give the wrong line ratios, or both. The kinetic energy in the turbulence provides a natural energy source if it can be efficiently converted to cloud heat. Researchers suggest that this can be done via magneto-hydrodynamic waves through plasma slip. Secondly, while the x ray observations indicate extended mass deposition, the optical line emission is more centrally concentrated. Since many of the turbulence-inducing mechanisms are strongest in the central regions of the ICM, so is the method of heating. In other words material is dropping out everywhere but only being lit up in the center.

Loewenstein, Michael↗
DOE OSTI2023

A New Sodium Thioborate Fast Ion Conductor: Na 3 B 5 S 9

Abstract We report a new sodium fast‐ion conductor, Na 3 B 5 S 9 , that exhibits a high Na ion total conductivity of 0.80 mS cm −1 (sintered pellet; cold‐pressed pellet=0.21 mS cm −1 ). The structure consists of corner‐sharing B 10 S 20 supertetrahedral clusters, which create a framework that supports 3D Na ion diffusion channels. The Na ions are well‐distributed in the channels and form a disordered sublattice spanning five Na crystallographic sites. The combination of structural elucidation via single crystal X‐ray diffraction and powder synchrotron X‐ray diffraction at variable temperatures, solid‐state nuclear magnetic resonance spectra and ab initio molecular dynamics simulations reveal high Na‐ion mobility (predicted conductivity: 0.96 mS cm −1 ) and the nature of the 3D diffusion pathways. Notably, the Na ion sublattice orders at low temperatures, resulting in isolated Na polyhedra and thus much lower ionic conductivity. This highlights the importance of a disordered Na ion sublattice—and existence of well‐connected Na ion migration pathways formed via face‐sharing polyhedra—in dictating Na ion diffusion.

Zhou, Laidong↗
DOE OSTI2023

A New Sodium Thioborate Fast Ion Conductor: Na 3 B 5 S 9

Abstract We report a new sodium fast‐ion conductor, Na 3 B 5 S 9 , that exhibits a high Na ion total conductivity of 0.80 mS cm −1 (sintered pellet; cold‐pressed pellet=0.21 mS cm −1 ). The structure consists of corner‐sharing B 10 S 20 supertetrahedral clusters, which create a framework that supports 3D Na ion diffusion channels. The Na ions are well‐distributed in the channels and form a disordered sublattice spanning five Na crystallographic sites. The combination of structural elucidation via single crystal X‐ray diffraction and powder synchrotron X‐ray diffraction at variable temperatures, solid‐state nuclear magnetic resonance spectra and ab initio molecular dynamics simulations reveal high Na‐ion mobility (predicted conductivity: 0.96 mS cm −1 ) and the nature of the 3D diffusion pathways. Notably, the Na ion sublattice orders at low temperatures, resulting in isolated Na polyhedra and thus much lower ionic conductivity. This highlights the importance of a disordered Na ion sublattice—and existence of well‐connected Na ion migration pathways formed via face‐sharing polyhedra—in dictating Na ion diffusion.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

Fermi Detection of a Luminous gamma-ray Pulsar in a Globular Cluster

We report the Fermi Large Area Telescope detection of gamma -ray (>100 mega-electron volts) pulsations from pulsar J1823--3021A in the globular cluster NGC 6624 with high significance (approx 7 sigma). Its gamma-ray luminosity L (sub 3) = (8:4 +/- 1:6) X 10(exp 34) ergs per second, is the highest observed for any millisecond pulsar (MSP) to date, and it accounts for most of the cluster emission. The non-detection of the cluster in the off-pulse phase implies that its contains < 32 gamma-ray MSPs, not approx 100 as previously estimated. The gamma -ray luminosity indicates that the unusually large rate of change of its period is caused by its intrinsic spin-down. This implies that J1823--3021A has the largest magnetic field and is the youngest MSP ever detected, and that such anomalous objects might be forming at rates comparable to those of the more normal MSPs.

Freire, P. C. C.↗
NASA NTRS2022

Kelvin-Helmholtz Vortices as an Interplay of Magnetosphere-Ionosphere Coupling

The solar wind-magnetosphere interaction drives diverse physical processes on the flanks of Earth’s magnetopause, and in turn these processes couple to the ionosphere. We investigate simultaneous multipoint in-situ spacecraft and ground-based measurements to determine the role of Kelvin-Helmholtz waves at the Earth’s magnetopause and the low-latitude boundary layer in the magnetosphere-ionosphere coupling process. Nonlinear Kelvin-Helmholtz waves develop into flow vortices that twist and/or shear flux tube magnetic fields, thereby generating localized field-aligned currents. Kelvin-Helmholtz vortices on the dusk (dawn) flanks of the magnetosphere generate clockwise (counter-clockwise) rotations and upward (downward) field-aligned currents inside the flux tubes, consistent with the region-1 field-aligned current. We present in-situ MMS and Cluster spacecraft observations of Kelvin-Helmholtz vortices at the magnetopause that map to the poleward edge of the auroral regions. The FAST spacecraft and the ground-based magnetometers from which spherical elementary currents (acting as a proxy for vertical currents) can be calculated observe corresponding field-aligned current signatures. This study demonstrates the role played by the Kelvin-Helmholtz waves in linking magnetopause boundary fluctuations to ionospheric phenomena.

K-J Hwang↗
DOE OSTI2020

Mononuclear to Polynuclear U(IV) Structural Units: Effects of Reaction Conditions on U-Furoate Phase Formation

In this work, Uranium(IV) complexation by 2-furoic acid was examined to better understand the effects of ligand identity and reaction conditions on species formation and stability. Five compounds were isolated: [UCl 2 (2-FA) 2 (H 2 O) 2 ] n (1), [U 4 Cl 10 O 2 (THF) 6 (2-FA) 2 ]•2(THF) (2), [U 6 O 4 (OH) 4 (H 2 O) 3 (2-FA) 12 ]•7(THF)•(H 2 O) (3), [U 6 O 4 (OH) 4 (H 2 O) 2 (2-FA) 12 ]•8.76(H 2 O) (4), and [U 38 Cl 42 O 54 (OH) 2 (H 2 O) 20 ]•m(H 2 O)•n(THF) (5). The structures were determined by single crystal X-ray diffraction and further characterized by Raman, IR, and optical absorption spectroscopy. The thermal stability and magnetic behavior of the compounds were also examined. Variations in the synthetic conditions led to notable differences in the structural units observed in the solid state. At low H 2 O/THF ratios, a tetranuclear oxo bridged [U 4 O 2 ] core was isolated. Aging of this solution resulted in the formation a U 38 oxo cluster capped by chloro and water ligands. However, at increasing water concentrations only hexanuclear units were observed. In all cases, at temperatures of 100-120 °C, UO 2 nanoparticles formed.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Applying Magnetic Curvature to MMS Data to Identify Thin Current Sheets Relative to Tail Reconnection

Thin current sheets (TCSs) have been postulated to be a necessary precondition for reconnection onset. Magnetic reconnection X-lines in the magnetotail have been observed to be more common duskward of midnight. We take advantage of the MMS tetrahedral formation during the 2017–2020 MMS tail seasons to calculate the thickness of the cross-tail neutral sheet relative to ion gyroradius. While a similar technique was applied to Cluster data, current sheet thickness over a broader range of radial distances has not been robustly explored before this study. We compare our analysis to recent theories regarding mechanisms of tail current sheet thinning and to recent simulations. We find MMS spent more than twice as long in ion-scale TCSs in the pre-midnight sector than post-midnight, despite nearly even plasma sheet dwell time. The dawn-dusk asymmetry in the distribution of Ion Diffusion Regions, as previously reported in relation to regions of TCSs, is also analyzed.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1980

Sunspots and the physics of magnetic flux tubes. X - On the hydrodynamic instability of buoyant fields

The hydrodynamics of cylindrical buoyant bubbles (magnetic flux tubes) in an atmosphere is examined. Their dynamical stability is considered, with particular attention to the Rayleigh-Taylor and Kelvin-Helmholtz instabilities. The instabilities are sufficient to cause fragmentation in the absence of some strong stabilizing effect such as surface tension or an internal azimuthal magnetic field. The results of the stability analysis are first applied to rising gas bubbles in liquids. Then, since agreement with the experimental data is found, the results are applied to the similar problem of the rising magnetic flux in the sun. Magnetic flux tubes in a fluid velocity field are intrinsically unstable, unless twisted. With the known dynamical limits on the degree of twisting, an upper limit on the diameter of the order of a few hundred kilometers is found for the stability of individual flux tubes in the photosphere. Observations show that tubes, except when clustered to form sunspots, are generally not larger than this amount. Therefore, it is suggested that the hydrodynamic instability of larger tubes is a prime cause of their absence from the solar photosphere.

Tsinganos, K. C.↗
DOE OSTI2023

Characterization, Structure, and Reactivity of Hydroxyl Groups on Metal‐Oxide Cluster Nodes of Metal–Organic Frameworks: Structural Diversity and Keys to Reactivity and Catalysis

Among the most stable metal–organic frameworks (MOFs) are those incorporating nodes that are metal oxide clusters with frames such as Zr 6 O 8 . This review is a summary of the structure, bonding, and reactivity of MOF node hydroxyl groups, emphasizing those bonded to nodes containing aluminum and zirconium ions. Hydroxyl groups are often present on these nodes, sometimes balancing the charges of the metal ions. They arise during MOF syntheses in aqueous media or in post-synthesis treatments. They are identified with infrared and 1 H nuclear magnetic resonance spectroscopies and characterized by their reactivities with polar compounds such as alcohols. Terminal OH, paired µ 2 -OH, and aqua groups on nodes are catalytic sites in numerous reactions. Relatively unreactive hydroxyl groups (such as isolated µ 2 -OH groups) may replace reactive groups and inhibit catalysis; some node hydroxyl groups (e.g., µ 3 -OH) are mere spectators in catalysis. There are similarities between MOF node hydroxyl groups and those on the surfaces of bulk metal oxides, zeolites, and enzymes, but the comparisons are mostly inexact, and much remains to be understood about MOF node hydroxyl group chemistry. It is posited that understanding and controlling this chemistry will lead to tailored MOFs and improved adsorbents and catalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Strong Turbulent Alfvén Wave Interactions in a Laboratory Plasma (Final Scientific/Technical Report)

Turbulence is a fundamental and widespread aspect of plasma behavior, occurring in nearly every natural plasma system that is observed, from clusters of distant galaxies to plasmas within the solar system. Plasma continuously streaming from the sun, known as the solar wind, has been particularly fruitful in understanding plasma turbulence due to the availability of spacecraft data. An ensuring mystery in solar wind turbulence is the unexpected observation of residual energy – there is excess energy in the magnetic fluctuations compared to the velocity fluctuations even though an Alfvén wave in Magnetohydrodynamics has equal amounts of energy in each. The project studied strong non-linear interaction between counter-propagating Alfvén waves in the lab for the first time. Dr. Mel Abler, who was hired as a postdoctoral researcher under this grant, obtained the first observation of residual energy in a counter-propagating Alfvén wave interaction. Dr. Abler showed experimentally that the interaction of two counter-propagating Alfvén waves produces daughter modes that are not not normal modes of the system and only exist in the presence of the nonlinear drive. These Alfvén quasimodes contain either negative residual energy (more energy in magnetic fluctuations) or positive residual energy (more energy in velocity fluctuations).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1985

Lightning on Venus

On the night side of Venus, the plasma wave instrument on the Pioneer-Venus Orbiter frequently detects strong and impulsive low-frequency noise bursts when the local magnetic field is strong and steady and when the field is oriented to point down to the ionosphere. The signals have characteristics of lightning whistlers, and an attempt was made to identify the sources by tracing rays along the B-field from the Orbiter down toward the surface. An extensive data set strongly indicates a clustering of lightning sources near the Beta and Phoebe Regios, with additional significant clustering near the Atla Regio at the eastern edge of Aphrodite Terra. These results suggest that there are localized lightning sources at or near the planetary surface.

Scarf, F. L.↗
NASA NTRS2008

Three-Dimensional Signatures of Intermittent Magnetic Reconnection in Global Simulations of Dayside Magnetosphere Dynamics

We performed high resolution global MHD simulations of THEMIS dayside crossings events in May -June 2007. We found that magnetopause surface is not in steady-state even during extended periods of steady solar wind conditions. The so-called tilted reconnection lines become unstable due to formation of pressure bubbles, strong core field flux tubes, vortices, and traveling magnetic field cavities. The topology of FTEs differ from that in two dimension cartoons representing obliquely oriented quasi-2D flux rope. The structure of FTE is changing at spatial scales of 1 -2 Re. Closely located space probes can observe completely different signatures. Branches of bent flux rope can move in opposite directions. THEMIS and Cluster observations are consistent with signatures predicted by simulations.

Kuznetsova, M.M.↗
NASA NTRS2016

NuSTAR Hard X-Ray Survey of the Galactic Center Region. II. X-Ray Point Sources

We present the first survey results of hard X-ray point sources in the Galactic Center (GC) region by NuSTAR. We have discovered 70 hard (3-79 keV) X-ray point sources in a 0.6 deg(sup 2) region around SgrA* with a total exposure of 1.7 Ms, and 7 sources in the Sgr B2 field with 300 ks. We identify clear Chandra counterparts for 58 NuSTAR sources and assign candidate counterparts for the remaining 19. The NuSTAR survey reaches X-ray luminosities of approx. 4× and approx. 8 ×10(exp 32) erg/s at the GC (8 kpc) in the 3-10 and 10-40 keV bands, respectively. The source list includes three persistent luminous X-ray binaries (XBs) and the likely run-away pulsar called the Cannonball. New source-detection significance maps reveal a cluster of hard (>10 keV) X-ray sources near the Sgr A diffuse complex with no clear soft X-ray counterparts. The severe extinction observed in the Chandra spectra indicates that all the NuSTAR sources are in the central bulge or are of extragalactic origin. Spectral analysis of relatively bright NuSTAR sources suggests that magnetic cataclysmic variables constitute a large fraction (>40%-60%). Both spectral analysis and logN-logS distributions of the NuSTAR sources indicate that the X-ray spectra of the NuSTAR sources should have kT > 20 keV on average for a single temperature thermal plasma model or an average photon index of Lambda = 1.5-2 for a power-law model. These findings suggest that the GC X-ray source population may contain a larger fraction of XBs with high plasma temperatures than the field population.

center - X-rays: binaries - diffuse background↗
DOE OSTI2022

CASM — A software package for first-principles based study of multicomponent crystalline solids

CASM is a software package that enables first-principles based studies of crystalline materials. It has been designed to treat coupled chemical, mechanical, vibrational, and magnetic degrees of freedom to determine ground state and finite temperature properties of crystals. The symmetry of the underlying parent crystal structure is used to enumerate perturbations of the parent crystal structure and generate derivative structures which can be input to first-principles calculations in order to explore the ground state energy landscape. CASM algorithmically constructs cluster expansions that fully couple discrete and continuous degrees of freedom, and generates highly efficient code to evaluate the cluster expansion basis functions. Widely used machine learning methods are integrated for fitting expansion coefficients to first-principle calculations. The fully parameterized cluster expansions can be combined with (kinetic) Monte Carlo methods to calculate finite temperature thermodynamic and kinetic properties. CASM Alloy Manager identifies distinct parent crystal structures in an alloy system, creating individual projects for each, and integrating the results. The integrated infrastructure facilitates the linkage between first-principles statistical mechanics predictions with higher length scale computational methods, such as phase field simulations. In conclusion, CASM projects are designed to be easy to share in repositories, to re-use, and to extend to include additional chemical species or types of degrees of freedom.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mechanism of superconductivity in the Hubbard model at intermediate interaction strength

We study the fluctuations responsible for pairing in the d -wave superconducting state of the two-dimensional Hubbard model at intermediate coupling within a cluster dynamical mean-field theory with a numerically exact quantum impurity solver. By analyzing how momentum- and frequency-dependent fluctuations generate the d -wave superconducting state in different representations, we identify antiferromagnetic fluctuations as the pairing glue of superconductivity in both the underdoped and the overdoped regime. Nevertheless, in the intermediate coupling regime, the predominant magnetic fluctuations may differ significantly from those described by conventional spin fluctuation theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗