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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

External and Internal Reconnection in Two Filament-Carrying Magnetic-Cavity Solar Eruptions

We observe two near-limb solar filament eruptions, one of 2000 February 26 and the other of 2002 January 4. For both we use 195 Angstroms Fe XII images from the Extreme-Ultraviolet (EUV) Imaging Telescope (EIT) and magnetograms from the Michelson Doppler Imager (MDI), both on the Solar and Heliospheric Observatory (SOHO) satellite. For the earlier event we also use soft X-ray telescope (SXT), hard X-ray telescope (HXT), and Bragg Crystal Spectrometer (BCS) data from the Yohkoh satellite, and hard X-ray data from the BATSE experiment on the Compton Gamma Ray Observatory (CGRO). Both events occur in quadrupolar magnetic regions, and both have coronal features that we infer belong to the same magnetic-cavity structures as the filaments. In both cases the cavity and filament first rise slowly at approximately 10 kilometers per second prior to eruption, and then accelerate to approximately 100 kilometers per second during the eruption, although the slow-rise movement for the higher-altitude cavity elements is clearer in the later event. We estimate both filaments and both cavities to contain masses of approximately 10(exp 14-15) g and approximately 10(exp 15-16) g respectively. We consider whether two specific magnetic-reconnection-based models for eruption onset, the tether cutting and the breakout models, are consistent with our observations. In the earlier event soft X-rays from SXT show an intensity increase during the 12-minute interval over whch fast eruption begins, which is consistent with tether-cutting-model predictions. Substantial hard X-rays, however, do not occur until after fast eruption is underway, and so this is a constraint the tether-cutting model must satisfy. During the same 12-minute interval over which fast eruption begins, there are brightenings and topological changes in the corona indicative of high-altitude reconnection early in the eruption, and this is consistent with breakout predictions. In both eruptions, however, the onset of the filament fast-rise phase occurs while overlying cavity-related coronal loops are still evolving from a "closed" state to an "open" state, and our observations of the time evolution of these loops compared to the eruption state in both events are constraints the breakout model must meet. Therefore our findings are consistent with runaway-tether-cutting-type reconnection and fast breakout-type reconnection both occurring early in the fast phase of the February eruption and with both types of reconnection being important in unleashing the explosion, but we are not able to say which, if either, type of reconnection actually triggered the fast phase. We have also found specific constraints that either model, or any other model, must satisfy if correct.

Sterling, Alphonse C.↗
DOE OSTI2017

Nitrogen–doped graphitized carbon shell encapsulated NiFe nanoparticles: A highly durable oxygen evolution catalyst

Oxygen evolution reaction (OER) plays a crucial role in various energy conversion devices such as water electrolyzers and metal–air batteries. Precious metal catalysts such as Ir, Ru and their oxides are usually used for enhancing reaction kinetics but are limited by their scarce resource. The challenges associated with alternative non–precious metal catalysts such as transition metal oxides and (oxy)hydroxides etc. are their low electronic conductivity and durability. Herein, we report a highly active (360 mV overpotential at 10 mA cm–2GEO) and durable (no degradation after 20000 cycles) OER catalyst derived from bimetallic metal–organic frameworks (MOFs) precursors. This catalyst consists of NiFe nanoparticles encapsulated by nitrogen–doped graphitized carbon shells. The electron-donation/deviation from Fe and tuned electronic structure of metal cores by Ni are revealed to be primary contributors to the enhanced OER activity, whereas N concentration contributes negligibly. We further demonstrated that the structure and morphology of encapsulating carbon shells, which are the key factors influencing the durability, are facilely controlled by the chemical state of precursors.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2020

Doping evolution of the charge excitations and electron correlations in electron-doped superconducting La 2-x Ce x CuO 4

Electron correlations play a dominant role in the charge dynamics of the cuprates. We use resonant inelastic X-ray scattering (RIXS) to track the doping dependence of the collective charge excitations in electron doped La 2-x Ce x CuO 4 (LCCO). From the resonant energy dependence and the out-of-plane momentum dependence, the charge excitations are identified as three-dimensional (3D) plasmons, which reflect the nature of the electronic structure and Coulomb repulsion on both short and long lengthscales. With increasing electron doping, the plasmon excitations increase monotonically in energy, a consequence of the electron correlation effect on electron structure near the Fermi surface (FS). Importantly, the plasmon excitations evolve from a broad feature into a well-defined peak with much increased life time, revealing the evolution of the electrons from incoherent states to coherent quasi-particles near the FS. Such evolution marks the reduction of the short-range electronic correlation, and thus the softening of the Mottness of the system with increasing electron doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Toroidal modeling of interaction between internal kink mode and plasma flow

Non-linear interaction between the internal kink mode and toroidal plasma rotation is numerically studied using the MARS-Q code. Simulation results show core plasma flow damping due to various toroidal torques, generated by a weakly stable internal kink mode. Here, the 3-D field perturbation induced torques, including the neoclassical toroidal viscous (NTV) torque, as well as that produced by the Maxwell and Reynolds stresses, act as sink terms in the toroidal momentum balance model. The NTV torque is found to play a dominant role in the flow damping in all cases considered in this study. The modification to the internal kink mode structure is observed during the flow damping. Whilst a steady state can be achieved in the coupled mode-flow evolution with a uniform initial flow, a sheared initial flow affects the linear stability of the mode and consequently changes the non-linear evolution. For cases where the steady state solution is achieved, the saturated plasma flow speed critically depends on the initial flow condition as well as the initial amplitude of the internal kink mode but is less sensitive to the on-axis safety factor q0, as long as the latter stays above 1.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

X-ray Pump–Probe Investigation of Charge and Dissociation Dynamics in Methyl Iodine Molecule

Molecular dynamics is of fundamental interest in natural science research. The capability of investigating molecular dynamics is one of the various motivations for ultrafast optics. Here, we present our investigation of photoionization and nuclear dynamics in methyl iodine (CH 3 I) molecule with an X-ray pump X-ray probe scheme. The pump–probe experiment was realized with a two-mirror X-ray split and delay apparatus. Time-of-flight mass spectra at various pump–probe delay times were recorded to obtain the time profile for the creation of high charge states via sequential ionization and for molecular dissociation. We observed high charge states of atomic iodine up to 29+, and visualized the evolution of creating these high atomic ion charge states, including their population suppression and enhancement as the arrival time of the second X-ray pulse was varied. We also show the evolution of the kinetics of the high charge states upon the timing of their creation during the ionization-dissociation coupled dynamics. We demonstrate the implementation of X-ray pump–probe methodology for investigating X-ray induced molecular dynamics with femtosecond temporal resolution. The results indicate the footprints of ionization that lead to high charge states, probing the long-range potential curves of the high charge states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Structural inversion asymmetry in epitaxial ultrathin films of Bi(111)/InSb(111)B

Bismuth (Bi) films hold potential for spintronic devices due to strong spin-orbit coupling. Understanding the growth, surface states, and interactions with the substrate is key to their functionalization. Large-area high-quality (111) Bi ultrathin films were grown on InSb (111)B substrates by molecular beam epitaxy (MBE). Strong film-substrate interactions epitaxially stabilize the (111) orientation and lead to nonequivalent interface potentials. Analysis of angle-resolved photoemission spectroscopy (ARPES) measurements, employed to characterize the evolution of the surface states with film thickness, indicate a crossing at the $\overline{M}$ point, suggesting a topologically trivial phase in the thin film. In conclusion, the results show the presence of interfacial bonds to the substrate breaks inversion symmetry, preventing the semimetal-to-semiconductor transition predicted for freestanding bismuth layers, highlighting the importance of controlled functionalization and surface passivation of two-dimensional materials.

Inbar, Hadass S. [Univ. of California, Santa Barba↗
DOE OSTI2022

Titanium doped kagome superconductor CsV 3–x Ti x Sb 5 and two distinct phases

The vanadium-based kagome superconductor CsV 3 Sb 5 has attracted tremendous attention due to its unexcepted anomalous Hall effect (AHE), charge density waves (CDWs), nematicity, and a pseudogap pair density wave (PDW) coexisting with unconventional strong-coupling superconductivity. The origins of CDWs, unconventional superconductivity, and their correlation with different electronic states in this kagome system are of great significance, but so far, are still under debate. Chemical doping in the kagome layer provides one of the most direct ways to reveal the intrinsic physics, but remains unexplored. Here, we report, for the first time, the synthesis of Ti-substituted CsV 3 Sb 5 single crystals and its rich phase diagram mapping the evolution of intertwining electronic states. The Ti atoms directly substitute for V in the kagome layers. CsV 3–x Ti x Sb 5 shows two distinct superconductivity phases upon substitution. The Ti slightly-substituted phase displays an unconventional V-shaped superconductivity gap, coexisting with weakening CDW, PDW, AHE, and nematicity. The Ti highly-substituted phase has a U-shaped superconductivity gap concomitant with a short-range rotation symmetry breaking CDW, while long-range CDW, twofold symmetry of in-plane resistivity, AHE, and PDW are absent. Furthermore, we also demonstrate the chemical substitution of V atoms with other elements such as Cr and Nb, showing a different modulation on the superconductivity phases and CDWs. These findings open up a way to synthesise a new family of doped CsV 3 Sb 5 materials, and further represent a new platform for tuning the different correlated electronic states and superconducting pairing in kagome superconductors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1995

The microscopic state of the solar wind: Links between composition, velocity distributions, waves and turbulence

An overview is given of the microscopic state of the solar wind with emphasis on recent Ulysses high-latitude observations and previous Helios in-ecliptic observations. The possible links between composition, ionization state. velocity distribution functions of electrons, protons and heavy ions. kinetic plasma waves and MHD-scale turbulence are elaborated. Emphasis is placed on a connection of interplanetary kinetic-scale phenomena with their generating microscopic processes in the corona. The fast streams seem to consist of mesoscale pressure-balanced plasma filaments and magnetic flux tubes, reminiscent of the supergranular-size structures building the open corona, from which copious Alfven waves emanate. The wind from the magnetically structured and active corona shows developed compressive turbulence and considerable abundance and ionization state variations. Some modelling attempts to explain the observed element fractionation are briefly reviewed. The causes of the nonthermal particle features. such as proton-ion differential streaming, ion beams. temperature anisotropies, and skewed distributions associated with collisionless heat conduction, are ultimately to be searched in the fact, that the corona is never quiescent but fundamentally variable in space and time. Consequently, the radial evolution of the internal state of the wind resembles at all latitudes a complicated relaxation process, in the course of which the free (in comparison with LTE conditions) particle kinetic energy is converted into plasma waves and MHD turbulence on a wide range of scales. This leads to intermittent wave-particle interactions and unsteady anomalous transport, mixed with the weak effects of the rare Coulomb collisions. Spherical expansion and large-scale inhomogeneity forces the wind to attain microscopically a complex internal state of dynamic statistical equilibrium.

Marsch, E.↗
DOE OSTI2019

Interpreting Electrochemical and Chemical Sodiation Mechanisms and Kinetics in Tin Antimony Battery Anodes Using in Situ Transmission Electron Microscopy and Computational Methods

Intermetallic compounds such as SnSb are promising anode materials for sodium ion batteries; however, their nanoscale sodiation mechanisms are not well understood. Here, we used a combination of in situ transmission electron microscopy (TEM), first-principles electronic structure calculations, computational thermodynamic modeling, and phase-field simulations to reveal the sodiation mechanisms and to quantify microstructural effects contributing to the underlying reaction kinetics in SnSb electrodes. During in situ sodiation experiments, the nanocrystalline SnSb thin films underwent a rapid amorphous phase transformation upon sodiation, as determined by in situ TEM and electron diffraction experiments. The Na + diffusion coefficients were measured with and without an external electrical bias, and the data showed that an applied potential increased Na + diffusion by an order of magnitude compared to solid-state diffusion. Furthermore, there was a distinct decrease in sodium diffusion upon the formation of the amorphous phase that resulted from a change in the local structure and grain boundaries. To further understand how the Na + transport mechanism correlated with the changes observed in the SnSb thin films, phase-field modeling was used, which considered sodium diffusion within the grain boundaries together with their evolution and stress–strain state. As a result, these findings enhance our understanding of sodiation mechanisms within intermetallic anode materials for sodium ion battery applications.

25 ENERGY STORAGE↗
NASA NTRS2008

Understanding Black Hole X-ray Binaries: The Case of Cygnus X-1

Black Hole X-ray Binaries are known to display distinct emission states that differ in their X-ray spectra, their X-ray timing properties (on times scales less than 1 s) and their radio emission. In recent years monitoring observations, specially with NASA's Rossi X-ray Timing Explorer (RXTE), have provided us with detailed empirical modeling of the phenomenology of the different states as well as a unification scheme of the long term evolution of black holes, transient and persistent, in terms of these states. Observations of the persistent High Mass X-ray Binary (HMXB) Cygnus X-l have been at the forefront of learning about black hole states since its optical identification through a state transition in 1973. In this talk I will present in depth studies of several different aspects of the accretion process in this system. The main data base for these studies is an ongoing RXTE and Ryle radio telescope bi-weekly monitoring campaign that started in 1997. I will discuss high-resolution timing results, especially power spectra, which first gave rise to the Lorentzian description now widely used for black hole and neutron star binaries, and time lags, which we found to be especially well suited to identify state transitions. The evolution of spectral, timing, and radio parameters over years will be shown, including the rms-flux relation and the observation of a clearly correlated radio/x-ray flare. We also observed Cygnus X-1 with INTEGRAL, which allowed us to extend timing and spectral studies to higher energies, with XMM, which provided strong constraints on the parameters of the 6.4 keV iron fluorescence line, and with Chandra, which provided the most in depth study to date of the stellar wind in this system. Models based on the physical conditions in the accretion region are still mainly concentrated on the one or other of the observational areas but they are expanding: as an example I will review results from a jet model for the quantitative description of the radio through X-ray spectra. I will conclude with an outlook on a truly multi-instrument observing campaign of Cygnus X-1 that was performed in 2008 April in order to better constrain the jet models mentioned above (and provide a unique data set for cross-calibration).

Pottschmidt, Katja↗
NASA NTRS1985

The spatial evolution of energetic electrons and plasma waves during the steady state beam plasma discharge

Experiments, involving the injection of energetic (keV) electron beams into the ionosphere-upper atmosphere system from rocket-borne electron guns, have provided evidence for the occurrence of strong beam-plasma interactions (BPI) both near to and remote from the injection point. However, the flight experiments have not provided clear and unambiguous evidence for the basic physical processes which produce the variety of confusing signatures. A laboratory experimental program was initiated to clarify some of a number of ambiguities regarding the obtained results. The present investigation is concerned with some experimental studies of the evolution of both the beam energy spectrum and the local wave amplitude-frequency spectrum at increasing axial distances from the electron gun for a variety of experimental conditions. The results of the studies show that the high frequency beam-plasma interaction represents the most important process.

Llobet, X.↗
NASA NTRS1992

Method and circuit for controlling the evolution time interval of a laser output pulse

The invention is a method and circuit for controlling the evolution time interval of a laser output pulse used for making precise spectral measurements. It comprises the means for pumping a laser medium in a resonator that includes a Q-switch and polarizer that act in combination to control the loss in the resonator. A photodiode senses the resulting fluorescence which is applied to a two level Q-switch and polarizer from high to intermediate to substantially zero loss states to control the evolution time interval of the resulting laser output pulse.

Barnes, Norman P.↗
DOE OSTI2024

A Gaussian process autoregressive model capturing microstructure evolution paths in a Ni–Mo–Nb alloy

Additive manufacturing is increasingly being employed to produce components of complex geometries in structural alloys because of the expected energy savings associated with the near-net-shape capability and the ability to build in novel internal features that are not possible with many conventional manufacturing approaches. However, because of the extreme thermal conditions encountered, the non-equilibrium microstructures produced during powder bed-based additive manufacturing processes must be subjected to custom post-heat treatment processes to recover the target mechanical properties. Phase-field models and simulation techniques have matured to a state where the microstructure evolution paths, and the morphologies of the resulting precipitate phases can be predicted reasonably accurately, considering alloy-specific thermodynamic and kinetic aspects of the nucleation and growth processes. However, phase-field simulations are computationally intensive, which precludes the ability to apply the simulations directly to the length scale of the entire component. Therefore, it is highly desirable to develop low-computational-cost surrogate models that effectively capture the physics at the microstructural length scale, while facilitating the design of optimized processing conditions resulting in location-specific targeted microstructures at the component scale. The work presented here demonstrates the application of the materials knowledge system framework to develop a surrogate model that effectively captures the microstructural path during annealing of a Ni–Mo–Nb alloy containing different Mo and Nb compositions known to segregate during solidification under additive manufacturing conditions. Specifically, the surrogate model built in this work is based on a Gaussian process autoregressive model informed by statistical representation of simulated microstructures using two-point correlations and dimensionality reduction through principal component analysis. In conclusion, this surrogate model is shown to capture the bifurcation of the microstructural path during precipitation, which yields a microstructure dominated by the $\gamma^{\prime\prime}$ phase at high Nb concentrations and the $\delta$ phase at low Nb concentrations.

36 MATERIALS SCIENCE↗
DOE OSTI2025

2D Modeling of Plasma Streamer and Glow Phases at Ammonia-Air Flame Conditions

Streamer and glow plasma phases have been modeled at two thermochemical states of an ammonia-air flame: fresh reactants and burnt products. A new AMReX-based solver has been verified against benchmarks in the literature and has been used to perform these simulations. A Helmholtz-equation based photoionization model with parameters accounting for the presence of NH3 in air has been coupled with the solver to accurately model the streamer propagation phase. A detailed plasma kinetics mechanism has been compiled and used to predict the evolution of electrons, excited states, ions, and radicals during streamer propagation and glow formation. The propagation velocity of streamers was found increase by almost two-fold when the mixture was changed from the fresh reactants to the burnt products. Moreover, vibrational excitation was found to be limited to the streamer body, whereas ionization predominantly occurred at the streamer head, as is expected. Finally, the differences in the pathways of O and H radical production during the streamer propagation and glow phases have been briefly discussed.

ammonia-air flame↗
DOE OSTI2018

Variational study of fermionic and bosonic systems with non-Gaussian states: Theory and applications

We present a new variational method for investigating the ground state and out of equilibrium dynamics of quantum many-body bosonic and fermionic systems. Our approach is based on constructing variational wavefunctions which extend Gaussian states by including generalized canonical transformations between the fields. The key advantage of such states compared to simple Gaussian states is presence of non-factorizable correlations and the possibility of describing states with strong entanglement between particles. In contrast to the commonly used canonical transformations, such as the polaron or Lang–Firsov transformations, we allow parameters of the transformations to be time dependent, which extends their regions of applicability. We derive equations of motion for the parameters characterizing the states both in real and imaginary time using the differential structure of the variational manifold. The ground state can be found by following the imaginary time evolution until it converges to a steady state. Collective excitations in the system can be obtained by linearizing the real-time equations of motion in the vicinity of the imaginary time steady-state solution. Our formalism allows us not only to determine the energy spectrum of quasiparticles and their lifetime, but to obtain the complete spectral functions and to explore far out of equilibrium dynamics such as coherent evolution following a quantum quench. We illustrate and benchmark this framework with several examples: a single polaron in the Holstein and Su–Schrieffer–Heeger models, non-equilibrium dynamics in the spin-boson and Kondo models, the superconducting to charge density wave phase transitions in the Holstein model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1991

An intrinsically n-dimensional generalized flux vector splitting implicit finite element Euler algorithm

A generalized flux-vector splitting implicit Galerkin finite-element algorithm for the Euler equations in curvilinear coordinates for ideal and reacting gases is derived. For an arbitrary equation of state, the curvilinear-coordinate flux vector is split in kinematic and kinetic components, and the associated jacobian matrix eigenvalues explicitly depend on the metric data. After directional semidiscretization, the terminal ordinary differential-equation system is solved via a nonlinearly stable implicit Runge-Kutta scheme in concert with an accurate tensor matrix product factorization. The results for selected two-dimensional supersonic and axisymmetric hypersonic flows validate the algorithm and verify its robustness for curvilinear-coordinate computations. The evolution towards a steady state is achieved for large Courant numbers without indication of numerical instabilities.

Iannelli, G. S.↗
DOE OSTI2019

Deep Conservation: A latent dynamics model for exact satisfaction of physical conservation laws [Report]

This work proposes an approach for latent dynamics learning that exactly enforces physical conservation laws. The method comprises two steps. First, we compute a low-dimensional embedding of the high-dimensional dynamical-system state using deep convolutional autoencoders. This defines a low-dimensional nonlinear manifold on which the state is subsequently enforced to evolve. Second, we define a latent dynamics model that associates with a constrained optimization problem. Specifically, the objective function is defined as the sum of squares of conservation-law violations over control volumes in a finite-volume discretization of the problem; nonlinear equality constraints explicitly enforce conservation over prescribed subdomains of the problem. The resulting dynamics model—which can be considered as a projection-based reduced-order model—ensures that the time-evolution of the latent state exactly satisfies conservation laws over the prescribed subdomains. In contrast to existing methods for latent dynamics learning, this is the only method that both employs a nonlinear embedding and computes dynamics for the latent state that guarantee the satisfaction of prescribed physical properties. Numerical experiments on a benchmark advection problem illustrate the method's ability to significantly reduce the dimensionality while enforcing physical conservation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

51 V NMR evidence for interlayer-modulated charge order and a first-order low-temperature transition in CsV 3 ⁢Sb 5

Charge order in the kagome superconductor CsV 3 ⁢Sb 5 exhibits a complex three-dimensional organization and intermediate-temperature anomalies whose bulk character has remained unsettled. We use orientation-dependent 51 V NMR as a site-selective probe to determine the stacking of the charge density wave (CDW) state and its thermal evolution. Below 𝑇 CDW ≈ 94K, the field-linear splitting of the 51 V central transition together with the anisotropy of the Knight shift tensor identify an interlayer-modulated 3⁢𝑞 CDW whose local environments are consistent with a four-layer 2 × 2 × 4 stacking with mixed trihexagonal/Star-of-David distortions, in agreement with synchrotron x-ray determinations. For comparison, RbV 3 ⁢Sb 5 serves as a reference exhibiting a uniform trihexagonal 2 × 2 × 2 stacking, allowing us to isolate features unique to the 2 × 2 × 4 state in CsV 3 ⁢Sb 5 . With 𝐻 0 ∥ 𝑐, the 51 V quadrupolar satellites through the intermediate temperature scale near 𝑇 CO ≈ 65K reorganize into two well-resolved electric-field-gradient manifolds that coexist over a finite interval; their relative spectral weights interchange on cooling while the total integrated satellite intensity remains conserved and 𝜈 𝑄 within each manifold is nearly temperature independent. The coexistence without critical broadening, together with conserved intensity, provides bulk evidence consistent with a first-order charge-order transition near 𝑇 CO . Our measurements do not resolve whether this lower-temperature transition corresponds to a distinct in-plane order or a reorganization of the 3⁢𝑞 state; rather, they delimit this window and provide bulk, site-resolved constraints that connect prior reported anomalies to a thermodynamic first-order transition.

Wang, Xiaoling [California State Univ., East Bay, ↗