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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Ultrafast Dynamics of Excited Electronic States in Nitrobenzene Measured by Ultrafast Transient Polarization Spectroscopy

We investigate ultrafast dynamics of the lowest singlet excited electronic state in liquid nitrobenzene using ultrafast transient polarization spectroscopy, extending the well-known technique of optical Kerr effect spectroscopy to excited electronic states. The third-order nonlinear response of the excited molecular ensemble is measured using a pair of femtosecond pulses following a third femtosecond pulse that populates the S 1 excited state. By measuring this response, which is highly sensitive to details of the excited state character and structure, as a function of time delays between the three pulses involved, we extract the dephasing time of the wave packet on the excited state. The dephasing time, measured as a function of time delay after pump excitation, shows oscillations indicating oscillatory wave packet dynamics on the excited state. Finally, from the experimental measurements and supporting theoretical calculations, we deduce that the wave packet completely leaves the S 1 state potential energy surface after three traversals of the intersystem crossing between the singlet S 1 and triplet T 2 states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Nonlinear models for coupling the effects of stimulated Raman scattering to inertial confinement fusion codes

Laser plasma instabilities (LPI) reduce driver-target coupling, alter implosion symmetry, and therefore can fundamentally limit fusion performance in inertial confinement fusion (ICF). Developing a predictive modeling capability for LPI effects can critically advance the success of the field. We perform vector particle-in-cell simulations of multi-speckled laser beams undergoing stimulated Raman scattering (SRS) at various densities and intensities relevant to mainly indirectly driven and a subset of parameter space for directly driven ICF systems, focusing on the regimes with intensities above the onset of electron trapping. Based on the wavenumber of the SRS daughter electron plasma wave, we identify several regions with underpinning SRS saturation physics: the electron-trapping dominated region with intermediate kλD values, the strong Landau damping region at larger kλD values, and the region where the Langmuir decay instability arises at lower kλD values. We develop a nonlinear SRS reflectivity model that features the base trapping-dominated scaling of (kλD)−4 and its modifications. Electron trapping deforms the initialized electron distribution functions, and we have developed a new δf-Gaussian-mixture algorithm for an accurate characterization of the trapped hot electron population. With this SRS hot electron description, we construct a nonlinear energy deposition model and a hot electron source model—based on a modified Manley–Rowe relation—suitable for including SRS effects as a sub-grid module in a high-fidelity ICF design code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Gauge theory for the cuprates near optimal doping

We describe the phase diagram of a 2+1-dimensional SU(2) gauge theory of fluctuating incommensurate spin density waves for the hole-doped cuprates. Our primary assumption is that all low-energy fermionic excitations are gauge neutral and electron-like, while the spin density wave order is fractionalized into Higgs fields transforming as adjoints of the gauge SU(2). The confining phase of the gauge theory is a conventional Fermi liquid with a large Fermi surface (and its associated d-wave superconductor). There is a quantum phase transition to a Higgs phase describing the “pseudogap” at lower doping. Depending on the quartic terms in the Higgs potential, the Higgs phase exhibits one or more of charge density wave, Ising-nematic, time-reversal odd scalar spin chirality, and Z 2 topological orders. It is notable that the emergent broken symmetries in our theory of fluctuating spin density waves coincide with those observed in diverse experiments. For the electron-doped cuprates, the spin density wave fluctuations are at wave vector (π,π), and then the corresponding SU(2) gauge theory only has a crossover between the confining and Higgs regimes, with an exponentially large confinement scale deep in the Higgs regime. Here, on the Higgs side, for both the electron- and hole-doped cases, and at scales shorter than the confinement scale (which can be infinite when Z 2 topological order is present), the electron spectral function has a “fractionalized Fermi liquid” form with small Fermi surfaces. We also describe the deconfined quantum criticality of the Higgs transition in the limit of a large number of Higgs flavors, and perturbatively discuss its coupling to fermionic excitations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1984

Microwave signature of thick-target electron beams in solar flares

The steady-state behavior of a flux of nonthermal electrons injected into a fully ionized thick target is examined. Owing to the (inverse square) energy dependence of the Coulomb collisional cross section, it is found that injected electron distributions that are monotonically decreasing functions of electron energy develop at finite depths into distributions that have 'humps' in velocity space; the electron energy corresponding to the hump correlates with the overlying particle column density to the target. This results in a two-stream unstable situation. The distribution is constantly being relaxed by quasi-linear relaxation and re-created by collisions; in this way a steady nonthermal level of Langmuir plasma waves is created, and these waves in turn produce microwave plasma radiation with a typical flux of 3 x 10 to the -16th erg/sq cm-sec. This flux can be enhanced by a factor of up to 100 by a high level of low-frequency (such as ion-acoustic) turbulence, which prevents quasi-linear relaxation for a sufficient fraction of the path length.

Emslie, A. G.↗
NASA NTRS1995

Coincident bursts of auroral kilometric radiation and VLF emissions associted with a type 3 solar radio noise event

This paper examines an isolated magnetospheric VLF/radio noise event that is highly suggestive of the triggering of terrestrial auroral kilometric radiation (AKR) bu solar type III radio emission and of a close relation between AKR and broadband hiss. The solar type III burst was measured on polar HF riometers and was coincident with local dayside VLF/LF noise emission bursts at South Pole station. It was also coincident with AKR bursts detected onthe AMPTE/IRM satellite, at the same magnetic local time as South Pole. On the basis of the close association of AKR and VLF bursts, and from geometric considerations relating to wave propagation, it is likely that the AKR source was on the dayside and on field lines near South Pole station. The general level of geomagnetic activity was very low. However, an isolated magnetic impulse event (MIE) accompanied by a riometer absorption pulse was in progress when all of the VLF/radio noise bursts occurred. The very close association of the typew III burst at HF with the AKR is consistent with external stimulation of the AKR, is different, more immediate,triggering process than that implied by Calvert (1981) is invoked. It is suggested here that some of the HF solar radiant energy may decay into waves with frequences comparable to those of the AKR by paraetric excitation or some other process, thus providing the few background photons required for the generation of AKR by the WU and Lee (1979) cyclotron maser instability. The AKR, perhaps by modifying the magnetospheric electron velocity distribution, might have produced the observed VLF emissions. Alternatively, the VLF emissions may have arisen from the same anisotropic and unstable electron distribution function responsible for the AKR.

Rosenberg, T. J.↗
NASA NTRS1988

Atomic oxygen studies on polymers

The purpose was to study the effects of atomic oxygen on the erosion of polymer based materials. The development of an atomic oxygen neutral beam facility using a SURFATRON surface wave launcher that can produce beam energies between 2 and 3 eV at flux levels as high as approx. 10 to the 17th power atoms/cm (2)-sec is described. Thin film dielectric materials were studied to determine recession rates and and reaction efficiencies as a function of incident beam energy and fluence. Accelerated testing was also accomplished and the values of reaction efficiency compared to available space flight data. Electron microscope photomicrographs of the samples' surface morphology were compared to flight test specimens.

Morison, W. D.↗
NASA NTRS1992

Radial vibrations of a sodium ion inside icosahedral C60

The very high symmetry of icosahedral C60 suggests that, as a first approximation, an atom trapped inside C60 would be subject to a potential that is radially symmetric about the center. All-electron local-density-functional calculations of the total energy of a sodium ion as a function of radial displacement from the center along the fivefold axis of C60 serve to refine such a radial potential. In particular, the calculations suggest studying potentials that have minima displaced from the center. An analytic functional form for a radial potential having a positive cusp at the origin is proposed, and the s-wave radial solutions of the corresponding Schroedinger equation are examined.

Ballester, J. L.↗
DOE OSTI2020

Nonlocal elastic metasurfaces: Enabling broadband wave control via intentional nonlocality

While elastic metasurfaces offer a remarkable and very effective approach to the subwavelength control of stress waves, their use in practical applications is severely hindered by intrinsically narrow band performance. In applications to electromagnetic and photonic metamaterials, some success in extending the operating dynamic range was obtained by using nonlocality. However, while electronic properties in natural materials can show significant nonlocal effects, even at the macroscales, in mechanics, nonlocality is a higher-order effect that becomes appreciable only at the microscales. This study introduces the concept of intentional nonlocality as a fundamental mechanism to design passive elastic metasurfaces capable of an exceptionally broadband operating range. The nonlocal behavior is achieved by exploiting nonlocal forces, conceptually akin to long-range interactions in nonlocal material microstructures, between subsets of resonant unit cells forming the metasurface. These long-range forces are obtained via carefully crafted flexible elements, whose specific geometry and local dynamics are designed to create remarkably complex transfer functions between multiple units. The resulting nonlocal coupling forces enable achieving phase-gradient profiles that are functions of the wavenumber of the incident wave. The identification of relevant design parameters and the assessment of their impact on performance are explored via a combination of semianalytical and numerical models. The nonlocal metasurface concept is tested, both numerically and experimentally, by embedding a total-internal-reflection design in a thin-plate waveguide. Results confirm the feasibility of the intentionally nonlocal design concept and its ability to achieve a fully passive and broadband wave control.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Synthesis of Quantum-Confined Borophene Nanoribbons

Here, borophene nanoribbons (BNRs) are one-dimensional strips of atomically thin boron expected to exhibit quantum-confined electronic properties that are not present in extended two-dimensional borophene. While the parent material borophene has been experimentally shown to possess anisotropic metallicity and diverse polymorphic structures, the atomically precise synthesis of nanometer-wide BNRs has not yet been achieved. Here, we demonstrate the synthesis of multiple BNR polymorphs with well-defined edge configurations within the nanometer-scale terraces of vicinal Ag(977). Through atomic-scale imaging, spectroscopy, and first-principles calculations, the synthesized BNR polymorphs are characterized and found to possess distinct edge structures and electronic properties. For single-phase BNRs, v 1/6 -BNRs and v 1/5 -BNRs adopt reconstructed armchair edges and sawtooth edges, respectively. In addition, the electronic properties of single-phase v 1/6 -BNRs and v 1/5 -BNRs are dominated by Friedel oscillations and striped moiré patterns, respectively. On the other hand, mixed-phase BNRs possess quantum-confined states with increasing nodes in the electronic density of states at elevated biases. Overall, the high degree of polymorphism and diverse edge topologies in borophene nanoribbons provide a rich quantum platform for studying one-dimensional electronic states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Capturing Correlation Effects in Positron Binding to Atoms and Molecules

A major challenge in contemporary electronic structure theory involves the development of methods to describe in a balanced manner the contribution of correlation effects to energy differences. This challenge can be even greater for multicomponent systems containing more than one type of quantum particle. In the present work, we describe a flexible code for carrying out self-consistent field and configuration interaction (CI) calculations on multicomponent systems and use it to generate trial wave functions for use in diffusion Monte Carlo (DMC) calculations of the positron affinity of Be, Be 2 , Be 4 , Mg, CS 2 , and benzene. The resulting positron affinities (PAs) are in good agreement with the best values from the literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Parallel transport modeling of linear divertor simulators with fundamental ion cyclotron heating *

Abstract The Material Plasma Exposure eXperiment (MPEX) is a steady state linear device with the goal to perform plasma material interaction studies at future fusion reactor relevant conditions. A prototype of MPEX referred as ‘Proto-MPEX’ is designed to carry out research and development related to source, heating and transport concepts on the planned full MPEX device. The auxiliary heating schemes in MPEX are based on cyclotron resonance heating with radio frequency (RF) waves. Ion cyclotron heating (ICH) and electron cyclotron heating in MPEX are used to independently heat the ions and electrons and provide fusion divertor conditions ranging from sheath-limited to fully detached divertor regimes at a material target. A hybrid particle-in-cell code- PICOS++ is developed and applied to understand the plasma parallel transport during ICH in MPEX/Proto-MPEX to the target. With this tool, evolution of the distribution function of MPEX/Proto-MPEX ions is modeled in the presence of (a) Coulomb collisions, (b) volumetric particle sources and (c) quasi-linear RF-based ICH. The code is benchmarked against experimental data from Proto-MPEX and simulation data from B2.5 EIRENE. The experimental observation of ‘density-drop’ near the target in Proto-MPEX and MPEX during ICH is demonstrated and explained via physics-based arguments using PICOS++ modeling. In fact, the density drops at the target during ICH in Proto-MPEX/MPEX to conserve the flux and to compensate for the increased flow during ICH. Furthermore, sensitivity scans of various plasma parameters with respect to ICH power are performed for MPEX to investigate its role on plasma transport and particle and energy fluxes at the target.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Ground-state properties of the Hubbard model in one and two dimensions from the Gutzwiller conjugate gradient minimization theory

We introduce Gutzwiller conjugate gradient minimization (GCGM) theory, an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. GCGM uses the Gutzwiller wave function but does not use the commonly adopted Gutzwiller approximation (GA), which is a major source of inaccuracy. Instead, the theory uses an approximation that is based on the occupation probability of the on-site configurations, rather than approximations that decouple the site-site correlations as used in the GA. We test the theory in the one-dimensional and two-dimensional Hubbard models at various electron densities and find that GCGM reproduces energies and double occupancies in reasonable agreement with benchmark data at a very small computational cost.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

The Generation of Oblique Magnetosonic Waves

One of the outstanding issues regarding the excitation of magnetosonic waves has been the observational evidence that obliquely propagating waves are dominant at comets and planetary foreshocks despite the predictions of linear theory that maximum growth occurs at parallel propagation. To address this issue, we have conducted a detailed linear theory using a beam-ring distribution function. The results have shown that such distribution functions are associated with four separate instabilities. Two of these instabilities are similar to the right hand resonant ion/ion and the non-resonant instabilities which are also present in the case of a field aligned beam. The other two instabilities are associated with the presence of ring part of the distribution function. One of these instabilities excites magnetosonic waves with maximum growth in the oblique directions. The other excites Alfven waves with maximum growth in the oblique directions. The importance of the former instability is that it may explain the oblique nature of the magnetosonic waves observed at planetary foreshocks and comets. In order to understand the nonlinear properties of these various instabilities, we have also conducted 2-D hybrid (particle ions, fluid electrons) simulations. We have found that when the beam density is sufficiently large so that the non-resonant instability has the largest growth rate, these waves dominate the initial wave power in the system. At later times, however, the obliquely propagating magnetosonic waves become dominant. Another important finding was that when the two instabilities which excite magnetosonic waves have the largest growth rates, the system is dominated by the obliquely propagating magnetosonic waves. This is despite the fact that the largest growth rate for one of the instabilities occurs in the parallel direction. The exact cause of this is not currently understood and is under investigation.

Source record↗
NASA NTRS2004

A Plasmaspheric Mass Density Model and Constraints on its Heavy Ion Concentration

The first empirical model of the equatorial mass density of the plasmasphere is constructed using ground-based ULF wave diagnostics. Plasmaspheric mass density between L=l.7 and L=3.2 has been determined using over 5200 hours of data from pairs of stations in the MEASURE array of ground magnetometers. The least-squares fit to the data as a function of L shows that mass density falls logarithmically with L. Average ion mass as a function of L is also estimated by combining the mass density model with plasmaspheric electron density profiles determined from the IMAGE Radio Plasma Imager (RPI). Additionally, we use the RPI electron density database to examine how the average ion mass changes under different levels of geomagnetic activity. We find that average ion mass is greatest under the most disturbed conditions. This result indicates that heavy ion concentrations are enhanced during large geomagnetic disturbances, and therefore play an important role in storm-time plasmaspheric dynamics. The average ion mass is also used to constrain the concentrations of He(+) and O(+). Estimates of the He(+) concentration determined this way can be useful for interpreting IMAGE Extreme Ultraviolet Imager (EUV) images.

Berube, D.↗
DOE OSTI2023

On the collisional damping of plasma velocity space instabilities

For plasma velocity space instabilities driven by particle distributions significantly deviated from a Maxwellian, weak collisions can damp the instabilities by an amount that is significantly beyond the collisional rate itself. This is attributed to the dual role of collisions that tend to relax the plasma distribution toward a Maxwellian and to suppress the linearly perturbed distribution function. The former effect can dominate in cases where the unstable non-Maxwellian distribution is driven by collisionless transport on a timescale much shorter than that of collisions, and the growth rate of the ideal instability has a sensitive dependence on the distribution function. The whistler instability driven by electrostatically trapped electrons is used as an example to elucidate such a strong collisional damping effect of plasma velocity space instabilities, which is confirmed by first-principles kinetic simulations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Mapping the nonequilibrium order parameter of a quasi-two dimensional charge density wave system

The driving force of a charge density wave (CDW) transition in quasi-two dimensional systems is still debated, while being crucial in understanding electronic correlation in such materials. Here we use femtosecond time- and angle-resolved photoemission spectroscopy combined with computational methods to investigate the coherent lattice dynamics of a prototypical CDW system. The photo-induced temporal evolution of the periodic lattice distortion associated with the amplitude mode reveals the dynamics of the free energy functional governing the order parameter. Our approach establishes that optically-induced screening rather than CDW melting at the electronic level leads to a transiently modified potential which explains the anharmonic behaviour of the amplitude mode and discloses the structural origin of the symmetry-breaking phase transition.

electronic properties and materials↗
DOE OSTI2024

Analysis of fusion alphas interaction with RF waves in D-T plasma at JET

This work studies the influence of RF waves in ICRH range of frequency on fusion alphas during the recent JET D-T campaign. Fusion alphas from D-T reactions are born with energies of about 3.5MeV and therefore have significant Doppler shift enabling synergistic interaction between them and RF waves at broad range of frequencies including the ones foreseen for future fusion machines ITER and SPARC. Resonant interaction between RF waves and alphas, also called synergistic effects, will modify the alpha distribution and ultimately will have an impact on alpha orbit losses and heating. Data from JET 3.43T/2.3MA pulses based on the hybrid scenario during the DTE2 campaign were used for the analysis in this study. The impact of synergistic effects on alpha orbit losses and alpha heating is assessed. Conclusions are based on analysis of experimental data for fast alphas losses, i.e. measurements from neutral particle analyser, fast ion losses scintillator detector, Faraday cups, and TRANSP simulations. Experimental data and TRANSP analysis indicate that there are indeed changes in the alphas' distribution function due to interaction with RF waves. Data from the scintillator detector and the Faraday cups were compared for pulses with and without ICRH power and versus cases with enhanced alpha losses due to MHD activities. The trends from these diagnostics consistently show no additional alpha losses due to interaction with RF waves. TRANSP predictions for the impact of the synergistic effects on alpha heating show up to 42% increase in alpha electron heating and up to 25% increase in alpha ion heating. These effects however become negligibly small, less than 1%, when alpha heating is compared to the total auxiliary hearting power in the investigated JET pulses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗