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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 OSTI2023

Magnetic molecules lose identity when connected to different combinations of magnetic metal electrodes in MTJ-based molecular spintronics devices (MTJMSD)

Abstract Understanding the magnetic molecules’ interaction with different combinations of metal electrodes is vital to advancing the molecular spintronics field. This paper describes experimental and theoretical understanding showing how paramagnetic single-molecule magnet (SMM) catalyzes long-range effects on metal electrodes and, in that process, loses its basic magnetic properties. For the first time, our Monte Carlo simulations, verified for consistency with regards to experimental studies, discuss the properties of the whole device and a generic paramagnetic molecule analog (GPMA) connected to the combinations of ferromagnet-ferromagnet, ferromagnet-paramagnet, and ferromagnet-antiferromagnet metal electrodes. We studied the magnetic moment vs. magnetic field of GPMA exchange coupled between two metal electrodes along the exposed side edge of cross junction-shaped magnetic tunnel junction (MTJ). We also studied GPMA-metal electrode interfaces’ magnetic moment vs. magnetic field response. We have also found that the MTJ dimension impacted the molecule response. This study suggests that SMM spin at the MTJ exposed sides offers a unique and high-yield method of connecting molecules to virtually endless magnetic and nonmagnetic electrodes and observing unprecedented phenomena in the molecular spintronics field.

42 ENGINEERING↗
DOE OSTI2022

Enhancing the connection between computation and experiments in electrocatalysis

Combining computational and experimental methods is a powerful approach to understand the variables that govern catalyst performance and ultimately design improved materials. However, the effectiveness of this approach rests on the strength of the relationships between calculated parameters and experimental measurements. These relationships are complicated by the intricacy and dynamic behaviour of catalytic active sites, and by the non-trivial relationship between calculated reaction energetics and observed rates. In this Perspective, we highlight opportunities to enhance the connection between computation and experiment in electrocatalysis. These include measuring the intrinsic kinetic behaviour of catalysts, creating precise models for the active site and its environment, and forming clear relationships between calculated reaction energetics and observed rates. As experimental and computational methods continue to become more powerful, clear connections between the two will maximize their utility to guide the design of efficient and selective electrocatalysts.

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

New Carbon Allotropes with Helical Chains of Complementary Chirality Connected by Ethene-type π-Conjugation

We here identify by ab initio calculations two distinct three-dimensional three-connected (3D3C) chiral framework structures of carbon in R3m and I41/amd symmetry, respectively, which comprise 3-fold and 4-fold helical chains with complementary chirality. The helical carbon chains are connected by an ethene-type planar p-conjugation, and the resulting structures contain a network of sp2 carbon bonds with one-third being double bonds between the chains and two-thirds single bonds along the chains. Phonon and electronic band structure calculations show that these chiral carbene structures are dynamically stable and exhibit a large band gap (2.4 , 2.9 eV). This semiconducting nature reflects a key distinction from previously proposed metallic isomers of helical or zigzag carbon chains with twisted p states that are dynamically unstable. The present results solve the long-sought 3D3C all-sp2 carbon structures and may help design other covalent bonding networks.

ATOMISTIC MODELS↗
DOE OSTI2013

On precanonical quantization of gravity in spin connection variables

The basics of precanonical quantization and its relation to the functional Schroedinger picture in QFT are briefly outlined. The approach is then applied to quantization of Einstein's gravity in vielbein and spin connection variables and leads to a quantum dynamics described by the covariant Schroedinger equation for the transition amplitudes on the bundle of spin connection coefficients over space-time, that yields a novel quantum description of space-time geometry. A toy model of precanonical quantum cosmology based on the example of flat FLRW universe is considered.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Connectivity and critical current density of in-situ processed MgB{sub 2} superconductors: Effect of excess Mg and non-carbon based additives

In a sequel to our previous paper (J. Appl. Phys. 113, 036908 (2013)), where we reported comprehensive analysis of inter-grain connectivity (A{sub F}), pinning, percolation threshold (P{sub c}), and anisotropy (γ) in a series of ex-situ processed MgB{sub 2}, we address the same issues in in-situ processed samples. MgB{sub 2} samples with stoichiometric composition, excess Mg (5 wt. %) and further 3 wt. % addition of various non-carbon based additives like nano-Ag, nano-Ni, and YBCO are synthesised by the in-situ route. Detailed investigations of X-ray diffraction, magnetization (M), and resistivity (ρ) as a function of temperature (T) and field (B) in the range 5–300 K and 0–8 T are carried out in all the samples. The resistive superconducting onset T{sub con} ∼ 38.6 ± 0.3 K and offset (where ρ goes to zero) T{sub c0} ∼ 38.1 ± 0.3 K of the samples stay nearly unchanged. The inter-grain connectivity (A{sub F}) of the samples varies between 11%–20%. All the additives result in a critical current density (J{sub c}) higher than the stoichiometric MgB{sub 2} sample, where the highest values (e.g., J{sub c}(1 T, 5 K) ∼ 1.2 × 10{sup 9} A/m{sup 2}) are observed for the sample with 5 wt. % excess Mg. The major findings based on quantitative analysis of ρ (T, B) and J{sub c} (B, T) data in all the samples are: (1) along with previously studied ex-situ samples, the J{sub c}(A{sub F}) shows a significant increase at A{sub F} ∼ 7%; (2) the irreversibility lines lie lower than the characteristic T{sub c0}(B) lines in the B-T phase diagram; (3) a universal core pinning (δl- and/or δT{sub c}- type) mechanism is revealed in the entire T range 5–30 K; and (4) typical values of P{sub c} ∼ 0.57 ± 0.04 is indicative of weak link networks.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Hypericin-mediated selective photomodification of connective tissues

Controllable modification of biological molecules and supramolecular components of connective tissue are important for biophysical and biomedical applications. Through the use of second harmonic generation imaging, two-photon fluorescence microscopy, and spectrofluorimetry, we found that hypericin, a natural pigment, induces photosensitized destruction of collagen fibers but does not affect elastic fibers and lipids in chicken tendon, skin, and blood vessels. We demonstrated the dynamics and efficiency of collagen photomodification and investigated mechanisms of this processes. Our results suggest that hypericin–mediated photoprocesses in biological tissues may be useful in biomedical applications that require selective modification of connective tissues.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

Connes distance function on fuzzy sphere and the connection between geometry and statistics

An algorithm to compute Connes spectral distance, adaptable to the Hilbert-Schmidt operatorial formulation of non-commutative quantum mechanics, was developed earlier by introducing the appropriate spectral triple and used to compute infinitesimal distances in the Moyal plane, revealing a deep connection between geometry and statistics. In this paper, using the same algorithm, the Connes spectral distance has been calculated in the Hilbert-Schmidt operatorial formulation for the fuzzy sphere whose spatial coordinates satisfy the su(2) algebra. This has been computed for both the discrete and the Perelemov’s SU(2) coherent state. Here also, we get a connection between geometry and statistics which is shown by computing the infinitesimal distance between mixed states on the quantum Hilbert space of a particular fuzzy sphere, indexed by n ∈ ℤ/2.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

On the space of connections having non-trivial twisted harmonic spinors

We consider Dirac operators on odd-dimensional compact spin manifolds which are twisted by a product bundle. We show that the space of connections on the twisting bundle which yields an invertible operator has infinitely many connected components if the untwisted Dirac operator is invertible and the dimension of the twisting bundle is sufficiently large.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Connection between quantum systems involving the fourth Painlevé transcendent and k-step rational extensions of the harmonic oscillator related to Hermite exceptional orthogonal polynomial

The purpose of this communication is to point out the connection between a 1D quantum Hamiltonian involving the fourth Painlevé transcendent P{sub IV}, obtained in the context of second-order supersymmetric quantum mechanics and third-order ladder operators, with a hierarchy of families of quantum systems called k-step rational extensions of the harmonic oscillator and related with multi-indexed X{sub m{sub 1,m{sub 2,…,m{sub k}}}} Hermite exceptional orthogonal polynomials of type III. The connection between these exactly solvable models is established at the level of the equivalence of the Hamiltonians using rational solutions of the fourth Painlevé equation in terms of generalized Hermite and Okamoto polynomials. We also relate the different ladder operators obtained by various combinations of supersymmetric constructions involving Darboux-Crum and Krein-Adler supercharges, their zero modes and the corresponding energies. These results will demonstrate and clarify the relation observed for a particular case in previous papers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Numerical analysis on seismic behavior of reinforced concrete beam to concrete filled steel tubular column connections with ring-beam

This paper presents numerical study of the seismic behavior of reinforced concrete beam to concrete filled steel tube column connections with ring-beam. The material stress-strain relations, element type and boundary condition are selected, which are consistent with actual situation. Then the seismic behavior of this type of joint are researched by ABAQUS, and finite element analyses are conducted under cyclic loading. Its parameters are discussed including thickness of steel tubular column wall, sectional dimension of the ring-beam and strength of the core concrete. The results show that the ultimate capacity of the connections is improved with sectional dimension of the ring-beam increased. In the meanwhile, the influence on skeleton curve of the joints is slight of which included thickness of steel tubular column wall and strength of the core concrete.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Codiscovering graphical structure and functional relationships within data: A Gaussian Process framework for connecting the dots

Most problems within and beyond the scientific domain can be framed into one of the following three levels of complexity of function approximation. Type 1: Approximate an unknown function given input/output data. Type 2: Consider a collection of variables and functions, some of which are unknown, indexed by the nodes and hyperedges of a hypergraph (a generalized graph where edges can connect more than two vertices). Given partial observations of the variables of the hypergraph (satisfying the functional dependencies imposed by its structure), approximate all the unobserved variables and unknown functions. Type 3: Expanding on Type 2, if the hypergraph structure itself is unknown, use partial observations of the variables of the hypergraph to discover its structure and approximate its unknown functions. These hypergraphs offer a natural platform for organizing, communicating, and processing computational knowledge. While most scientific problems can be framed as the data-driven discovery of unknown functions in a computational hypergraph whose structure is known (Type 2), many require the data-driven discovery of the structure (connectivity) of the hypergraph itself (Type 3). We introduce an interpretable Gaussian Process (GP) framework for such (Type 3) problems that does not require randomization of the data, access to or control over its sampling, or sparsity of the unknown functions in a known or learned basis. Its polynomial complexity, which contrasts sharply with the super-exponential complexity of causal inference methods, is enabled by the nonlinear ANOVA capabilities of GPs used as a sensing mechanism.

Science & Technology - Other Topics↗
DOE OSTI2012

THE SN 393-SNR RX J1713.7-3946 (G347.3-0.5) CONNECTION

Although the connection of the Chinese 'guest' star of 393 AD with the Galactic supernova remnant RX J1713.7-3946 (G347.3-0.5) made by Wang et al. in 1997 is consistent with the remnant's relatively young properties and the guest star's projected position within the 'tail' of the constellation Scorpius, there are difficulties with such an association. The brief Chinese texts concerning the 393 AD guest star make no comment about its apparent brightness, stating only that it disappeared after eight months. However, at the remnant's current estimated 1-1.3 kpc distance and A{sub V} {approx_equal} 3, its supernova (SN) should have been a visually bright object at maximum light (-3.5 to -5.0 mag) if M{sub V} = - 17 to -18 and would have remained visible for over a year. The peak brightness {approx_equal}0 mag adopted by Wang et al. and others would require the RX J1713.7-3946 supernova to have been a very subluminous event similar to or fainter than SN 2005cs in M51. We also note problems connecting SN 393 with a European record in which the Roman poet Claudian describes a visually brilliant star in the heavens around 393 AD that could be readily seen even in midday. Although several authors have suggested this account may be a reference to the Chinese supernova of 393, Scorpius would not be visible near midday in March when the Chinese first reported the 393 guest star. We review both the Chinese and Roman accounts and calculate probable visual brightnesses for a range of SN subtypes and conclude that neither the Chinese nor the Roman descriptions are easily reconciled with an expected RX J1713.7-3946 supernova brightness and duration.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

TWIST AND CONNECTIVITY OF MAGNETIC FIELD LINES IN THE SOLAR ACTIVE REGION NOAA 10930

Twist and connectivity of magnetic field lines in the flare-productive active region NOAA 10930 are investigated in terms of the vector magnetograms observed by the Solar Optical Telescope on board the Hinode satellite and the nonlinear force-free field (NLFFF) extrapolation. First, we show that the footpoints of magnetic field lines reconstructed by the NLFFF correspond well to the conjugate pair of highly sheared flare ribbons on the Ca II images, which were observed by Hinode as an X3.4 class flare on 2006 December 13. This demonstrates that the NLFFF extrapolation may be used to analyze the magnetic field connectivity. Second, we find that the twist of magnetic field lines anchored on the flare ribbons increased as the ribbons moved away from the magnetic polarity inversion line in the early phase of the flare. This suggests that magnetic reconnection might commence from a region located below the most strongly twisted field. Third, we reveal that the magnetic flux twisted more than a half turn and gradually increased during the last one day prior to the onset of the flare, and that it quickly decreased for two hours after the flare. This is consistent with the store-and-release scenario of magnetic helicity. However, within this active region, only a small fraction of the flux was twisted by more than one full turn and the field lines that reconnected first were twisted less than one turn. These results imply that the kink mode instability could hardly occur, at least before the onset of flare. Based on our results, we discuss the trigger process of solar flares.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

SYMPATHETIC FILAMENT ERUPTIONS CONNECTED BY CORONAL DIMMINGS

We present for the first time detailed observations of three successive, interdependent filament eruptions that occurred one by one within 5 hr from different locations beyond the range of a single active region. The first eruption was observed from an active region and was associated with a coronal mass ejection (CME), during which diffuse and complex coronal dimmings formed, largely extending to the two other filaments located in quiet-Sun regions. Then, both quiescent filaments consecutively underwent the second and third eruptions, while the nearby dimmings were persistent. Comparing the result of a derived coronal magnetic configuration, the magnetic connectivity between the dimmings suggested that they were caused by the joint effect of simple expansion of overlying loop systems forced by the first eruption, as well as by its erupting field interacting or reconnecting with the surrounding magnetic structures. Note that the dimming process in the first eruption indicated a weakening and partial removal of an overlying magnetic field constraint on the two other filaments, and thus one can physically connect these eruptions as sympathetic. It appears that the peculiar magnetic field configuration in our event was largely favorable to the occurrence of sympathetic filament eruptions. Because coronal dimmings are frequent and common phenomena in solar eruptions, especially in CME events, it is very likely that they represent a universal agent that can link consecutive eruptions nearby with sympathetic eruptions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

ON THE ROLE OF THE ACCRETION DISK IN BLACK HOLE DISK-JET CONNECTIONS

Models of jet production in black hole systems suggest that the properties of the accretion disk-such as its mass accretion rate, inner radius, and emergent magnetic field-should drive and modulate the production of relativistic jets. Stellar-mass black holes in the 'low/hard' state are an excellent laboratory in which to study disk-jet connections, but few coordinated observations are made using spectrometers that can incisively probe the inner disk. We report on a series of 20 Suzaku observations of Cygnus X-1 made in the jet-producing low/hard state. Contemporaneous radio monitoring was done using the Arcminute MicroKelvin Array radio telescope. Two important and simple results are obtained: (1) the jet (as traced by radio flux) does not appear to be modulated by changes in the inner radius of the accretion disk and (2) the jet is sensitive to disk properties, including its flux, temperature, and ionization. Some more complex results may reveal aspects of a coupled disk-corona-jet system. A positive correlation between the reflected X-ray flux and radio flux may represent specific support for a plasma ejection model of the corona, wherein the base of a jet produces hard X-ray emission. Within the framework of the plasma ejection model, the spectra suggest a jet base with v/c {approx_equal} 0.3 or the escape velocity for a vertical height of z {approx_equal} 20 GM/c {sup 2} above the black hole. The detailed results of X-ray disk continuum and reflection modeling also suggest a height of z {approx_equal} 20 GM/c {sup 2} for hard X-ray production above a black hole, with a spin in the range 0.6 {<=} a {<=} 0.99. This height agrees with X-ray time lags recently found in Cygnus X-1. The overall picture that emerges from this study is broadly consistent with some jet-focused models for black hole spectral energy distributions in which a relativistic plasma is accelerated at z = 10-100 GM/c {sup 2}. We discuss these results in the context of disk-jet connections across the black hole mass scale.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

PROBING THE HALO FROM THE SOLAR VICINITY TO THE OUTER GALAXY: CONNECTING STARS IN LOCAL VELOCITY STRUCTURES TO LARGE-SCALE CLOUDS

This paper presents the first potential connections made between two local features in velocity space found in a survey of M giant stars and stellar spatial inhomogeneities on global scales. Comparison to cosmological, chemodynamical stellar halo models confirms that the M giant population is particularly sensitive to rare, recent and massive accretion events. These events can give rise to locally observed velocity sequences-each made from a small fraction of debris from a massive progenitor, passing at high velocity through the survey volume, near the pericenter of the eccentric orbit of the system. The majority of the debris is found in much larger structures, whose morphologies are more cloud-like than stream-like and which lie at the orbital apocenters. Adopting this interpretation, the full-space motions represented by the observed M giant velocity features are derived under the assumption that the members within each sequence share a common space velocity. Orbit integrations are then used to trace the past and future trajectories of these stars across the sky revealing plausible associations with large, previously discovered, cloud-like structures. The connections made between nearby velocity structures and these distant clouds represent preliminary steps toward developing coherent maps of such giant debris systems. These maps promise to provide new insights into the origin of debris clouds, new probes of Galactic history and structure, and new constraints on the high-velocity tails of the local dark matter distribution that are essential for interpreting direct dark matter particle detection experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

CONNECTING THE SUN'S HIGH-RESOLUTION MAGNETIC CARPET TO THE TURBULENT HELIOSPHERE

The solar wind is connected to the Sun's atmosphere by flux tubes that are rooted in an ever-changing pattern of positive and negative magnetic polarities on the surface. Observations indicate that the magnetic field is filamentary and intermittent across a wide range of spatial scales. However, we do not know to what extent the complex flux-tube topology seen near the Sun survives as the wind expands into interplanetary space. In order to study the possible long-distance connections between the corona and the heliosphere, we developed new models of turbulence-driven solar wind acceleration along empirically constrained field lines. We used a potential field model of the quiet Sun to trace field lines into the ecliptic plane with unprecedented spatial resolution at their footpoints. For each flux tube, a one-dimensional model was created with an existing wave/turbulence code that solves equations of mass, momentum, and energy conservation from the photosphere to 4 AU. To take account of stream-stream interactions between flux tubes, we used those models as inner boundary conditions for a time-steady magnetohydrodynamic description of radial and longitudinal structure in the ecliptic. Corotating stream interactions smear out much of the smallest-scale variability, making it difficult to see how individual flux tubes on granular or supergranular scales can survive out to 1 AU. However, our models help clarify the level of ''background'' variability with which waves and turbulent eddies should be expected to interact. Also, the modeled fluctuations in magnetic field magnitude were seen to match measured power spectra quite well.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

UHECR ESCAPE MECHANISMS FOR PROTONS AND NEUTRONS FROM GAMMA-RAY BURSTS, AND THE COSMIC-RAY-NEUTRINO CONNECTION

The paradigm that gamma-ray burst fireballs are the sources of the ultra-high energy cosmic rays (UHECRs) is being probed by neutrino observations. Very stringent bounds can be obtained from the cosmic-ray (proton)-neutrino connection, assuming that the UHECRs escape as neutrons. In this study, we identify three different regimes as a function of the fireball parameters: the standard ''one neutrino per cosmic ray'' case, the optically thick (to neutron escape) case, and the case where leakage of protons from the boundaries of the shells (direct escape) dominates. In the optically thick regime, the photomeson production is very efficient, and more neutrinos will be emitted per cosmic ray than in the standard case, whereas in the direct escape-dominated regime, more cosmic rays than neutrinos will be emitted. We demonstrate that, for efficient proton acceleration, which is required to describe the observed UHECR spectrum, the standard case only applies to a very narrow region of the fireball parameter space. We illustrate with several observed examples that conclusions on the cosmic-ray-neutrino connection will depend on the actual burst parameters. We also show that the definition of the pion production efficiency currently used by the IceCube collaboration underestimates the neutrino production in the optically thick case. Finally, we point out that the direct escape component leads to a spectral break in the cosmic-ray spectrum emitted from a single source. The resulting ''two-component model'' can be used to even more strongly pronounce the spectral features of the observed UHECR spectrum than the dip model.

79 ASTRONOMY AND ASTROPHYSICS↗