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At least 415 records · Page 23

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NASA NTRS2007

Does the Blazar Gamma-ray Spectrum Harden with Increasing Flux? - Analysis of Nine Years of EGRET Data

The Energetic Gamma Ray Experiment Telescope (EGRET) on the Compton Gamma Ray Observatory (CGRO) discovered gamma-ray emission from more than 67 blazars during its nine-year lifetime. We conducted an exhaustive search of the EGRET archives and selected all the blazars that were observed multiple times and were bright enough to enable a spectral analysis using standard powerlaw models. The sample consists of 18 flat-spectrum radio quasars (FSRQs), 6 low-frequency-peaked BL Lacs (LBLs) and 2 high-frequency-peaked BL Lacs (HBLs). We do not detect any clear pattern in'the variation of spectral index with flux. Some of the blazars do not show any statistical evidence for spectral variability. The spectrum hardens with increasing flux in a few cases. There is also evidence for a flux-hardness anticorrelation at lo\v fluxes in five blazars. The well observed blazars (3C 279,3C 273, PKS 0528-i-134, PKS 1622-297, PKS 0208- 512) do not show any overall trend in the long-term spectral dependence on flux, but the sample shows a mixture of hard and soft states. We observed spectral hysteresis at weekly timescales in all the three FSRQs for which data from flares lasting for 3 approx. 4 weeks were available. All three sources show a counterclockwise rotation despite the widely different flux profiles. Hysteresis in the spectral index vs. flux space has never been observed in FSRQs in gamma-rays at weekly timescales. itre analyze the observed spectral behavior in the context of various inverse-Compton mechanisms believed to be responsible for emission in the EGRET energy range. Our analysis uses the EGRET skymaps that were regenerated to include the changes in performance during the mission.

Nandikotkur, Giridhar↗

DOE OSTI2026

Partially Ionized Plasma Physics and Technological Applications

Partially ionized plasma physics has attracted increased attention recently due to numerous technological applications made possible by the increased sophistication of computer modelling, the depth of the theoretical analysis, and the technological applications to a vast field of manufacturing for computer components. Partially ionized plasma is characterized by a significant presence of neutral particles in contrast to the fully ionized plasma. The theoretical analysis is based upon solutions of the kinetic Boltzmann equation, yielding the non-Maxwellian electron energy distribution function (EEDF), thereby emphasizing the difference with a fully ionized plasma. The impact of the effect on discharges in inert and molecular gases is described in detail, yielding the complex nonlinear phenomena resulting in plasma selforganization. A few examples of such phenomena are given, including the non-monotonic EEDFs in the discharge afterglow in a mixture of argon with the molecular gas NF3; the explosive generation of cold electron populations in capacitive discharges, hysteresis of EEDF in inductively coupled plasmas. Recently, highly advanced computer codes were developed in order to address the outstanding challenges in plasma technology. These developments are briefly described in general terms.

non-Maxwellian electron energy distribution functi↗

DOE OSTI2020

Definition of Redox Centers in Reactions of Lithium Intercalation in Li 3 RuO 4 Polymorphs

Cathodes based on layered LiMO 2 are the limiting components in the path toward Li-ion batteries with energy densities suitable for electric vehicles. Introducing an over-stoichiometry of Li increases storage capacity beyond a conventional mechanism of formal transition metal redox. However, the role and fate of the oxide ligands in such intriguing additional capacity remain unclear. This reactivity was predicted in Li 3 RuO 4 , making it a valuable model system. For this study, a comprehensive analysis of the redox activity of both Ru and O under different electrochemical conditions was carried out, and the effect of Li/Ru ordering was evaluated. Li 3 RuO 4 displays highly reversible Li intercalation to Li 4 RuO 4 below 2.5 V vs Li + /Li 0 , with conventional reactivity through the formal Ru 5+ -Ru 4+ couple. In turn, it can also undergo anodic Li extraction at 3.9 V, which involves O states to a much greater extent than Ru. This reaction competes with side processes such as electrolyte decomposition and, to a much lesser extent, oxygen loss. Although the associated capacity is reversible, reintercalation unlocks a different, conventional pathway also involving the formal Ru 5+ -Ru 4+ couple despite operating above 2.5 V, leading to chemical hysteresis. This new pathway is both chemically and electrochemically reversible in subsequent cycles. This work exemplifies both the challenge of stabilizing highly depleted O states, even with 4d metals, and the ability of solids to access the same redox couple at two very different potential windows depending on the underlying structural changes. It highlights the importance of properly defining the covalency of oxides when defining charge compensation in view of the design of materials with high capacity for Li storage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Zonal shear layer collapse and the power scaling of the density limit: old L-H wine in new bottles

Edge shear layer collapse causes edge cooling and aggravates radiative effects. This paper details on the microscopic dynamics of the emergence of power (Q) scaling of density limit (DL) from the shear layer collapse transport bifurcation scenario. The analysis is based on a novel 4-field model, which evolves turbulence energy, zonal flow energy, temperature gradient and density, including the neoclassical screening of zonal flow response. Bifurcation analysis yields power scaling of critical density for shear layer collapse as $n_{crit}\sim Q^{1/3}$. The favorable Q scaling of the DL emerges from the fact that the shear layer strength increases with Q, thus preventing shear layer collapse. This in turn reduces particle transport and improves particle confinement. RMP induced ambient stochastic fields degrade the shear layer by inducing decoherence in the Reynolds stress. As a result the particle transport increases and particle confinement degrades. This leads to the emergence of unfavorable stochastic field intensity ($b_{st}^{2}$) scaling of the critical density as $n_{crit}\sim(1+b_{st}^{2})^{-5/3}$. All fields, including zonal flow shear, exhibit hysteresis when the power (Q) is ramped cyclically across the bifurcation point. The hysteresis is due to dynamical delay in bifurcation on account of critical slowing down. Furthermore, the dynamical hysteresis here is fundamentally different from the hysteresis associated with the existence of bi-stable states.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Temperature-induced densification in compressed basaltic glass revealed by in-situ ultrasonic measurements

Abstract Acoustic velocities of a model basalt glass (64 mol% CaMgSi2O6 + 36 mol% CaAl2Si2O8) were measured along different pressure-temperature (P-T) paths. One set of experiments involved isothermal compression-decompression cycles, performed at temperatures of 300, 641, 823, and 1006 K and pressures up to 12.2 GPa. The other set of experiments involved constant-load heating-cooling cycles at temperatures up to 823 K and pressures up to 7.5 GPa. Both sets of experiments were performed in a multi-anvil apparatus using a synchrotron-based ultrasonic technique. Our results show that the glass compressed isothermally at 300 K (cold-compression) displays anomalously decreasing compressional (VP) and shear (VS) wave velocities with increasing pressure until ~8 GPa. Beyond 8 GPa, both VP and VS start to increase sharply with pressure and irreversible densification of the glass occurred, producing large hysteresis loops of velocities upon decompression. However, for the glass compressed isothermally at increasingly higher temperatures (hot-compression), the velocity minima gradually shift to lower pressures. At temperature close to the glass transition temperature Tg, the velocity minima disappear completely, displaying a monotonic increase of velocities during compression and higher VP and VS during decompression. In addition, constant-load heating-cooling experiments show that velocities generally decrease slightly with increasing temperature, but start to increase once heated above a threshold temperature (~650 K). During cooling the velocities increase almost linearly with decreasing temperature, resulting in higher velocities (~1.5–2.5% higher) when returned to 300 K. This implies that a temperature-induced densification may have occurred in the glass at high pressures. Raman spectra on recovered samples show that the hot-compressed and high-P heated glasses contain distinctly densified and depolymerized structural signatures compared to the initial glass and the cold-compressed glass below the velocity transition pressure PT (~8 GPa). Such densification may be attributed to the breaking of bridging oxygen bonds and compaction in the intermediate-range structure. Our results demonstrate that temperature can facilitate glass densification at high pressures and point out the importance of P-T history in understanding the elastic properties of silicate glasses. Comparison with melt velocity suggests that hot-compressed glasses may better resemble the pressure dependence of velocity of silicate melts than cold-compressed glasses, but still show significantly higher velocities than melts. If the abnormal acoustic behaviors of cold-compressed glasses were used to constrain melt fractions in the mantle low-velocity regions, the melt fractions needed to explain a given velocity reduction would be significantly underestimated at high pressures.

Geochemistry & Geophysics↗

DOE OSTI2026

Spontaneous Twirls and Structural Frustration in Moiré Materials

Structural twirls form spontaneously in the domain wall networks of some moiré materials. We show that in heterobilayers, neighboring twirl chiralities tend to antialign, forming staggered patterns that are well described by antiferromagnetic lattice 𝜙 4 theories. In moiré systems with triangular domains, this leads to frustration in the chirality configuration of the twirls and to hysteresis with respect to variation of the average twist angle and possibly other control parameters. As a result, we expect that in typical materials, the ordering temperature of twirls is about 10 3 K, and that thermal fluctuations in individual twirl chiralities freeze below room temperature.

Elastic deformation↗

NASA NTRS1990

Unsteady potential flow past a propeller blade section

An analytical study was conducted to predict the effect of an oscillating stream on the time dependent sectional pressure and lift coefficients of a model propeller blade. The assumption is that as the blade sections encounter a wake, the actual angles of attack vary in a sinusoidal manner through the wake, thus each blade is exposed to an unsteady stream oscillating about a mean value at a certain reduced frequency. On the other hand, an isolated propeller at some angle of attack can experience periodic changes in the value of the flow angle causing unsteady loads on the blades. Such a flow condition requires the inclusion of new expressions in the formulation of the unsteady potential flow around the blade sections. These expressions account for time variation of angle of attack and total shed vortices in the wake of each airfoil section. It was found that the final expressions for the unsteady pressure distribution on each blade section are periodic and that the unsteady circulation and lift coefficients exhibit a hysteresis loop.

Takallu, M. A.↗

NASA NTRS1960

Aerodynamic Characteristics of a Large-Scale Unswept Wing-Body-Tail Configuration with Blowing Applied Over the Flap and Wind Leading Edge

An investigation has been conducted in the Langley full-scale tunnel to determine the effects of a blowing boundary-layer-control lift-augmentation system on the aerodynamic characteristics of a large-scale model of a fighter-type airplane. The wing was unswept at the 70-percent- chord station, had an aspect ratio of 2.86, a taper ratio of 0.40, and 4-percent-thick biconvex airfoil sections parallel to the plane of symmetry. The tests were conducted over a range of angles of attack from approximately -4 deg to 23 deg for a Reynolds number of approximately 5.2 x 10(exp 6) which corresponds to a Mach number of 0.08. Blowing rates were normally restricted to values just sufficient to control air-flow separation. The results of this investigation showed that wing leading-edge blowing in combination with large values of wing leading-edge-flap deflection was a very effective leading-edge flow-control device for wings having highly loaded trailing-edge flaps. With leading-edge blowing there was no hysteresis of the lift, drag, and pitching-moment characteristics upon recovery from stall. End plates were found to improve the lift and drag characteristics of the test configuration in the moderate angle-of-attack range, and blockage to one-quarter of the blowing-slot area was not detrimental to the aerodynamic characteristics. Blowing boundary-layer control resulted in a considerably reduced landing speed and reduced landing and take-off distances. The ailerons were very effective lateral-control devices when used with blowing flaps.

McLemore, H. Clyde↗

DOE OSTI2023

Disentangling Electronic Transport and Hysteresis at Individual Grain Boundaries in Hybrid Perovskites via Automated Scanning Probe Microscopy

Underlying the rapidly increasing photovoltaic efficiency and stability of metal halide perovskites (MHPs) is the advancement in the understanding of the microstructure of polycrystalline MHP thin film. Over the past decade, intense efforts have been aimed at understanding the effect of microstructures on MHP properties, including chemical heterogeneity, strain disorder, phase impurity, etc. It has been found that grain and grain boundary (GB) are tightly related to lots of microscale and nanoscale behavior in MHP thin films. Atomic force microscopy (AFM) is widely used to observe grain and boundary structures in topography and subsequently to study the correlative surface potential and conductivity of these structures. For now, most AFM measurements have been performed in imaging mode to study the static behavior; in contrast, AFM spectroscopy mode allows us to investigate the dynamic behavior of materials, e.g., conductivity under sweeping voltage. However, a major limitation of AFM spectroscopy measurements is that they require manual operation by human operators, and as such only limited data can be obtained, hindering systematic investigations of these microstructures. Here, we designed a workflow combining the conductive AFM measurement with a machine learning (ML) algorithm to systematically investigate grain boundaries in MHPs. The trained ML model can extract GBs locations from the topography image, and the workflow drives the AFM probe to each GB location to perform a current–voltage (IV) curve automatically. Then, we are able to have IV curves at all GB locations, allowing us to systematically understand the property of GBs. Using this method, we discovered that the GB junction points are less conductive, potentially more photoactive, and can play critical roles in MHP stability, while most previous works only focused on the difference between GB and grains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Tuning martensitic transformations via coherent second phases in nanolaminates using free energy landscape engineering

In this work we explore the possibilities and limitations of using a coherent second phase to engineer the thermo-mechanical properties of a martensitic alloy by modifying the underlying free energy landscape that controls the transformation. We use molecular dynamics simulations of a model atomistic system where the properties of a coherent, nanoscale second phase can be varied systematically. With a base martensitic material that undergoes a temperature-induced transformation from a cubic austenite to a monoclinic martensite, simulations show significant ability to engineer the transformation temperatures, from a ~50% reduction to a ~200% increase, with 50 at.% of the cubic second phase. We establish correlations between the properties of the second phase, the transformation characteristics, and the microstructure via the free energy landscape of the twophase systems. Coherency stresses have a strong influence on the martensitic variants observed and can even cause the non-martensitic second phase to undergo a transformation. Reducing the stiffness of the second phase increases the transformation strain and modifies the martensitic microstructure, increasing the volume fraction of the transformed material. This increase in transformation strain is accompanied by a significant increase in Af and thermal hysteresis, while Ms remains unaltered. Our findings on the tunability of martensitic transformations can be used for informed searches of second phases to achieve desired material properties, such as achieving room temperature, lightweight shape memory alloys.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Epitaxial registry and transport properties in V4O7 thin films

We report the growth of V4O7 thin films deposited simultaneously on amorphous SiO2 and crystalline c-cut Al2O3 substrates. x-ray diffraction shows that films grown on SiO2 are polycrystalline with no preferred orientation, while films grown on Al2O3 exhibit a well-defined out-of-plane orientation and an in-plane registry consistent with epitaxial growth. Transmission electron microscopy confirms the crystallographic relationship between the V4O7 film and the Al2O3 substrate. Atomic force microscopy indicates substantially lower surface roughness for films grown on Al2O3 (~6 nm) compared to those grown on SiO2 (~22 nm), and Raman spectroscopy confirms stabilization of the same V4O7 phase on both substrates. Electrical transport measurements reveal a metal–insulator transition near 244 K for both substrates, with thermal hysteresis not exceeding ~1 K. Although the transition temperature remains essentially unchanged, films grown on Al2O3 exhibit higher conductivity over the entire temperature range, exceeding that of films grown on SiO2 by approximately two orders of magnitude at 100 K and by a factor of five at 300 K. These results indicate that the conductivity differences are consistent with variations in microstructural connectivity associated with crystallographic order.

36 MATERIALS SCIENCE↗

DOE OSTI2021

In-plane quasi-single-domain BaTiO 3 via interfacial symmetry engineering

The control of the in-plane domain evolution in ferroelectric thin films is not only critical to understanding ferroelectric phenomena but also to enabling functional device fabrication. However, in-plane polarized ferroelectric thin films typically exhibit complicated multi-domain states, not desirable for optoelectronic device performance. Here we report a strategy combining interfacial symmetry engineering and anisotropic strain to design single-domain, in-plane polarized ferroelectric BaTiO 3 thin films. Theoretical calculations predict the key role of the BaTiO 3 /PrScO 3 (110) O substrate interfacial environment, where anisotropic strain, monoclinic distortions, and interfacial electrostatic potential stabilize a single-variant spontaneous polarization. A combination of scanning transmission electron microscopy, piezoresponse force microscopy, ferroelectric hysteresis loop measurements, and second harmonic generation measurements directly reveals the stabilization of the in-plane quasi-single-domain polarization state. This work offers design principles for engineering in-plane domains of ferroelectric oxide thin films, which is a prerequisite for high performance optoelectronic devices.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Electron/hole selectivity in organic semiconductor contacts for solar energy conversion (Final Report)

Four major and accomplishments for the project "Electron/hole selectivity in organic semiconductor contacts for solar energy conversion.'' are reported. The first is a development of a model describing the contact-determined behavior of a solar cell. The most basic solar cell consists of an intrinsic (pure) semiconductor that acts as an absorber to which contacts are made that provide the asymmetry needed to create a driving force (voltage) for the directional flow of electrons (current), in other words, to convert sunlight into electrical energy. The asymmetry at the contacts comes from the different rate at which electrons and holes, the charge carriers generated by illumination, are collected. We developed a model that describes the ideal current-voltage, and hence energy converting properties, of an ideal photovoltaic that is entirely determined by the kinetics for these charge collection processes. Second, we measured how organic semiconductor interfacial layers impact contact electron and hole transfer rates at semiconductor interfaces and described how these concepts do or do not determine the open-circuit voltage of a solar cell. The work clearly controverts common general misconceptions about the action of contact interfacial layers, such as the idea that improved selectivity for one carrier over the other results from decreased recombination, and quantitatively demonstrates how specific interfacial layer materials act to improve the efficiency of a solar cell. Third, we measured the sub-band gap external quantum efficiency (EQE) of a series of organometal halide perovskite (“perovskite”) solar cells. These measurements quantified band-tailing and revealed defect states, which can cause recombination, that correlate with composition, performance, and hysteresis. Finally, we developed a semiconductor bipolar membrane that uses light to pump ions. This structure is unique among systems that drive ion gradients using light in that it is designed to pump salt rather than one sign of ion; it is a photochemical salt pump.

14 SOLAR ENERGY↗

NASA NTRS1987

Exposure time considerations in high temperature low cycle fatigue

The Conventional Strainrange Partitioning (CSRP) method for High-Temperature, Low-Cycle Fatigue (HTLCF) life prediction has its origins in the modeling of first-order, creep-fatigue waveform effects while treating as second-order effects, the influence of metallurgical or environmental time dependencies. Procedures are proposed to include the latter explicitly in the inelastic strainrange--life relations. For brevity, only the CP life relation will be presented in detail. The exposure-time effect within the CP inelastic strainrange (tensile creep reversed by compressive plasticity) was determined by tensile stresshold-time experiments for 316 SS at 816 C. Reductions in CP cyclic life of a factor of about two were observed with an increase in exposure time or a corresponding decrease in creep rate by a factor of about 100. The CP life relation has been modified to be expressed in terms of either Steady State Creep Rate (SSCR) or Exposure Time (ET). The applicability and accuracy of the time-dependent CP life relations is demonstrated by conducting verification experiments involving complex hysteresis loops. Metallographic examination revealed time-dependent degradation attributable to oxide formation and precipitation of carbides along grain boundaries.

Kalluri, S.↗

NASA NTRS1988

Exposure time considerations in high temperature low cycle fatigue

The Conventional Strainrange Partitioning (CSRP) method for High-Temperature, Low-Cycle Fatigue (HTLCF) life prediction has its origins in the modeling of first-order, creep-fatigue waveform effects while treating as second-order effects, the influence of metallurgical or environmental time dependencies. Procedures are proposed to include the latter explicitly in the inelastic strainrange-life relations. For brevity, only the CP life relation will be presented in detail. The exposure-time effect within the CP inelastic strainrange (tensile creep reversed by compressive plasticity) was determined by tensile stresshold-time experiments for 316 SS at 816 C. Reductions in CP cyclic life of a factor of about two were observed with an increase in exposure time or a corresponding decrease in creep rate by a factor of about 100. The CP life relation has been modified to be expressed in terms of either Steady State Creep Rate (SSCR) or Exposure Time (ET). The applicability and accuracy of the time-dependent CP life relations is demonstrated by conducting verification experiments involving complex hysteresis loops. Metallographic examination revealed time-dependent degradation attributable to oxide formation and precipitation of carbides along grain boundaries.

Kalluri, S.↗

DOE OSTI2025

Flux-Closure Domain Structures in Ferroelectric K 0.5 Na 0.5 NbO 3 Thin Films

Topological domain structures in ferroelectric materials have garnered increasing attention due to their intriguing physical properties and promising applications. While most existing topological structures in ferroelectric perovskite oxides originate from tetragonal or rhombohedral bulk phases, much less is understood about their counterparts in orthorhombic ferroelectrics. Here, in this work, we employ ferroelectric K 0.5 Na 0.5 NbO 3 (KNN) thin films as a model system and leverage phase-field simulations to theoretically predict the static structures and dynamic behaviors of three types of flux-closure domain configurations: in-plane (Type-I), out-of-plane (Type-II), and superdomain (Type-III) flux-closure structures. We systematically investigate the effects of finite size, misfit strains, and electrical boundary conditions on the formation and switching of these topological structures. For the Type-I structure, size reduction or small misfit strain facilitates a transition of the flux-closure pattern to polar vortices. Type-II structures emerge under open-circuit electrical boundary conditions of the film, forming at the junctions of specific domain walls with the film surface or the film–substrate interface. The formation mechanisms of these two flux-closure structures are rationalized from an energy perspective. We demonstrated switching capabilities of Type-II and Type-III structures by obtaining polarization–electric field hysteresis loops. Our simulations also reveal a reversible electric-field-induced transition between the orthorhombic and rhombohedral ferroelectric phases with a checkerboard domain pattern, during which the integrity of the flux-closure structure is preserved. These findings provide theoretical insights and practical guidance for identifying and manipulating topological structures in low-symmetry ferroelectrics, paving the way for developing energy-efficient microelectronic devices based on topological structures.

P-E loop↗

DOE OSTI2024

Light-induced transitions of polar state and domain morphology of photoferroelectric nanoparticles

Using the Landau-Ginzburg-Devonshire approach, we study light-induced phase transitions, evolution of polar state and domain morphology in photo-ferroelectric nanoparticles (NPs). Light exposure increases the free carrier density near the NP surface and may in turn induce phase transitions from the nonpolar paraelectric to the polar ferroelectric phase. Using the uniaxial photo-ferroelectric Sn 2 P 2 S 6 as an example, here we show that visible light exposure induces the appearance and vanishing of striped, labyrinthine or curled domains and changes in the polarization switching hysteresis loop shape from paraelectric curves to double, pinched and single loops, as well as the shifting in the position of the tricritical point. Furthermore, we demonstrate that an ensemble of non-interacting photo-ferroelectric NPs may exhibit superparaelectric-like features at the tricritical point, such as strongly frequency-dependent giant piezoelectric and dielectric responses, which can potentially be exploited for piezoelectric applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Extremum Seeking-Based Control System for Particle Accelerator Beam Loss Minimization

Particle accelerators throughout the world vary widely in terms of age and availability of advanced noninvasive diagnostics that provide varying levels of detail about the accelerated beams. Additionally, beam loss measurements and current monitors are ubiquitous in the accelerator community, they are noninvasive, and they are some of the most important metrics in terms of preventing damage or irradiation of beam pipes and equipment for high-energy machines. However, beam loss and current measurements are difficult to use for feedback tuning because of a lack of a known analytic relationship between scalar loss measurements throughout an accelerator and the hundreds of thousands of parameters that influence the beam and time variation of the beam source itself. In this work, we present a model-independent extremum seeking (ES) controller, which has been implemented for automated tuning and optimization of the Los Alamos Neutron Science Center (LANSCE) linear ion accelerator based only on scalar quantities, such as beam loss or flux measurements. We demonstrate the approach on various accelerator subsystems, including groups of radio frequency (RF) accelerating cavities, quadrupole magnets, bending magnets, and steering magnets. This tool is now available as a use graphical user interface (GUI) in the LANSCE control room, allowing beam physicists to choose arbitrary groups of parameters and beam loss or current monitors for adaptive tuning.

43 PARTICLE ACCELERATORS↗