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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Theoretical Study of High Harmonic Generation in Monolayer NbSe 2

High harmonic generation (HHG) is a powerful probe of electron dynamics on attosecond to femtosecond time scales and has been successfully used to detect electronic and structural changes in solid-state quantum materials, including transition-metal dichalcogenides (TMDs). Among TMDs, bulk NbSe 2 exhibits charge density wave (CDW) order below 33 K and becomes superconducting below 7.3 K. Monolayer NbSe 2 also has superconducting and CDW behavior and is therefore interesting as a material whose different structural and electronic properties could be probed via HHG. Here, we predict the HHG response of the pristine 2H and CDW phases of monolayer NbSe 2 using real-time time-dependent density functional theory under the application of a simulated laser pulse excitation. We find that due to the lack of inversion symmetry in both monolayer phases, it is possible to excite even harmonics and that the even harmonics appear as the transverse components of the current response under excitations polarized along the zigzag direction of the monolayer, while odd harmonics arise from the longitudinal current response in all excitation directions. This suggests that the even and odd harmonic responses can be controlled via the polarization of the probing field, opening an avenue for potentially useful applications in optoelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Broadband hard X-ray attosecond pulses from extremely chirped electron beams

Attosecond pulses from free-electron lasers have opened the doors to atomic site-specific studies of bound electronic dynamics on their natural, sub-femtosecond timescales. Key to their success has been electron beam shaping techniques enabling the generation of sub-femtosecond current spikes with peak currents on the order of 10 kA. We demonstrate in an RF linac the generation of current spikes with extreme chirps on the order of 350 MeV/micron, directly competitive with the chirps expected from beam-driven plasma wakefield accelerators. Leveraging chirp-taper compensation, we use these highly chirped beams to generate hard X-ray attosecond pulses with bandwidths exceeding 30 eV, a factor of two beyond previous demonstrations. We simultaneously present the first explicit experimental evidence of chirp-taper compensation in an attosecond XFEL, finding that optimal tapering improves the bandwidth and pulse energy by factors of two and five, respectively, for our conditions. In addition to the immediate utility of such broadband hard X-ray pulses, electron beams with such extreme chirps can be utilized for unique new experimental modalities by performing further compression after the undulators. Such post-lasing compression can enable subsequent superradiant light emission at longer wavelengths, or direct excitation of quantum systems with the beam's intense space-charge field for unique attosecond pump-probe possibilities.

43 PARTICLE ACCELERATORS↗
NASA NTRS1984

Thermal fluctuations from an artificial ion beam injection into the ionosphere

Simulations of argon beam experiments flown on two sounding rocket flights (ARCS 1, 2) reveal two bands of electrostatic wave emissions, one at high frequencies around the upper hybrid mode, the other at low frequencies around the lower hybrid mode. The latter is significantly enhanced by the argon beam in the simulations, and the enhancement was clearly observed on ARCS 2. This enhancement at phase velocities greater than the beam velocity is suggested to be due to an increase in the thermal fluctuation level of the plasma when the argon beam is present. Inclusion of electron dynamics and oblique angles of wave propagation with respect to B allows investigation of electron heating. Electron tail heating is observed parallel to B for k-parallel/k-perpendicular proportional to the square root of m(e)/m(0), while background ions are heated perpendicular to B.

Hudson, M. K.↗
NASA NTRS1992

Electron acceleration by Alfven waves in the magnetosphere

The self-consistent electron kinetics of Alfven waves on the electron inertial scale is studied using a 2D hybrid-kinetic description. The ions follow a fluid description for Alfven waves at frequencies below the ion cyclotron frequency. The parallel electron dynamics is treated kinetically using particle-in-cell techniques. In this model, the electron plasma mode is eliminated, and only the physics of the Alfven waves is retained. At sufficiently large amplitudes, it is found that oblique Alfven waves break due to finite electron inertia in a cold plasma. The consequence of wave breaking is the formation of an electron beam which can be unstable to the beam-plasma instability. The electrons supporting the parallel current thermalize into a non-Maxwellian distribution with an energetic tail up to several keV, assuming a reasonable magnetospheric Alfven speed. In hot plasma simulations, electron trapping is the principal mechanism of electron acceleration. It is proposed that wave breaking or electron trapping of oblique Alfven waves at 1 R(E) can result in electron acceleration and may explain some observed auroral phenomena.

Hui, C.-H.↗
NASA NTRS1998

Signal-Induced Noise Effects in a Photon Counting System for Stratospheric Ozone Measurement

Signal-induced noise (SIN) is a common effect resulting when a photomultiplier tube (PMT) is saturated, for a brief moment, with a high intensity light pulse. After the laser pulse is sent into the atmosphere a very large light return, from either the near-field or a cloud, causes the PMT to momentarily saturate. The PMT is gated off at this time so no signal is seen at the anode. When the PMT gate is turned on, the far-field light return from the atmosphere is observed. This signal is distorted, however because of the addition of SIN to the received light signal causing a slower than expected decay of the atmospheric signal return. We have characterized SIN responses to varying parameters of the incident light on the PMT. These varied parameters included incident wavelength, PMT voltage, incident intensity, and tube type. We found that only the amplitude of the SIN was effected by varying PMT voltages and light intensities. The amplitude increased linearly as input light intensity increased. Different incident wavelengths at the same intensity did not effect the amplitude or the temporal behavior of the SIN response. Finally, different PMT tubes with similar physical structures exhibited similar SIN responses although with different amplitudes. The different amplitudes can be attributed to the different gains and operating voltages of each tube. These results suggest that SIN is caused by photocathode electron dynamics such as charge accumulation on internal PMT surfaces. These surfaces then emit the electrons slowly resulting in a long decay noise signal. With the SIN responses characterized we can now try to develop a method to reduce or eliminate SIN in DIAL systems.

Harper, David B.↗
DOE OSTI2025

Generation of fast photoelectrons in strong-field emission from metal nanoparticles

We investigated the generation and control of fast photoelectrons (PEs) by exposing plasmonic nanoparticles (NPs) to short infrared (IR) laser pulses with peak intensities between 10 12 and 3 × 10 13 W/cm 2 . Our measured and numerically simulated PE momentum distributions demonstrate the extent to which PE yields and cutoff energies are controlled by the NP size, material, and laser peak intensity. For strong-field photoemission from spherical silver, gold, and platinum NPs with diameters between 10 and 100 nm our results confirm and surpass extremely high PEs cutoff energies, up to several hundred times the incident laser-pulse ponderomotive energy, found recently for gold nanospheres [Saydanzad et al., Nanophotonics 12, 1931 (2023)]. As reported previously for dielectric NPs [Rupp et al., J. Mod. Opt. 64, 995 (2017)], at higher intensities the cutoff energies we deduce from measured and simulated PE spectra tend to converge to a metal-independent limit. We expect these characteristics of light-induced electron emission from prototypical plasmonic metallic nanospheres to promote the understanding of the electronic dynamics in more complex plasmonic nanostructures and the design of nanoscale light-controlled plasmonic electron sources for photoelectronic devices of applied interest.

electron source↗
DOE OSTI2024

The Liquid Jet Endstation for Hard X-ray Scattering and Spectroscopy at the Linac Coherent Light Source

The ability to study chemical dynamics on ultrafast timescales has greatly advanced with the introduction of X-ray free electron lasers (XFELs) providing short pulses of intense X-rays tailored to probe atomic structure and electronic configuration. Fully exploiting the full potential of XFELs requires specialized experimental endstations along with the development of techniques and methods to successfully carry out experiments. The liquid jet endstation (LJE) at the Linac Coherent Light Source (LCLS) has been developed to study photochemistry and biochemistry in solution systems using a combination of X-ray solution scattering (XSS), X-ray absorption spectroscopy (XAS), and X-ray emission spectroscopy (XES). The pump–probe setup utilizes an optical laser to excite the sample, which is subsequently probed by a hard X-ray pulse to resolve structural and electronic dynamics at their intrinsic femtosecond timescales. The LJE ensures reliable sample delivery to the X-ray interaction point via various liquid jets, enabling rapid replenishment of thin samples with millimolar concentrations and low sample volumes at the 120 Hz repetition rate of the LCLS beam. This paper provides a detailed description of the LJE design and of the techniques it enables, with an emphasis on the diagnostics required for real-time monitoring of the liquid jet and on the spatiotemporal overlap methods used to optimize the signal. Additionally, various scientific examples are discussed, highlighting the versatility of the LJE.

EXAFS↗
NASA NTRS2005

The Role of the Heavy Ions in the Generation of EMIC Waves

The effect of EMIC waves, generated by a positive ion temperature anisotropy on Earth s RC dynamics is one of the best known examples of wave-particle interaction in the magnetosphere and the most controversial mechanism of RC losses. Under certain conditions, relativistic electrons with energy greater than or equal to 1 MeV can be removed from the outer RB by EMIC wave scattering during a magnetic storm much faster than by any other loss mechanisms. That is why the calculation of EMIC waves are very critical part of the LWS program. Systematic studies of magnetosphere-plasmasphere-ionosphere coupling are needed in order to provide EMIC waves forecast on a global scale and include WPI processes in the RB modeling. To quantify the EMIC wave effects on the RC-ion and RB-electron dynamics, a self-consistent theoretical description of the ions, electrons, and EMIC waves should be employed in future RB studies. This talk will emphasize the role of the heavy ions in the EMIC waves formation on a global scale and their nonlinear coupling with lower hybrid waves.

Khazanov, G. V.↗
NASA NTRS1985

Plasma heating at collisionless shocks due to the kinetic cross-field streaming instability

Heating at collisionless shocks due to the kinetic cross-field streaming instability, which is the finite beta (ratio of plasma to magnetic pressure) extension of the modified two stream instability, is studied. Heating rates are derived from quasi-linear theory and compared with results from particle simulations to show that electron heating relative to ion heating and heating parallel to the magnetic field relative to perpendicular heating for both the electrons and ions increase with beta. The simulations suggest that electron dynamics determine the saturation level of the instability, which is manifested by the formation of a flattop electron distribution parallel to the magnetic field. As a result, both the saturation levels of the fluctuations and the heating rates decrease sharply with beta. Applications of these results to plasma heating in simulations of shocks and the earth's bow shock are described.

Winske, D.↗
DOE OSTI2025

Revealing the Phonon Bottleneck Limit in Negatively Charged CdS Quantum Dots

The capture of photoexcited hot electrons in semiconductors before they lose their excess energy to cooling is a long-standing goal in photon energy conversion. Semiconductor nanocrystals have large electron energy spacings that are expected to slow down electron relaxation by phonon emission, but hot electrons in photoexcited nanocrystals, nevertheless, cool rapidly by energy transfer to holes. This makes the intrinsic phonon-bottleneck-limited hot electron lifetime in nanocrystals elusive. For this work, we used a combination of theory and experiments to probe the hot-electron dynamics of negatively charged cadmium sulfide (CdS) colloidal quantum dots (QDs) in the absence of holes. Experiments found that these hot electrons cooled on a 100 ps time scale. Theoretical simulations predicted that pure phonon-bottleneck-limited hot electron cooling occurs on a similar time scale. This similarity suggests that the experimental measurements reflect the upper limit on the hot-electron lifetimes in these CdS QDs and the lower limit on the rates of processes that can harvest those hot electrons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

Effect of EMIC Wave Normal Angle Distribution on Relativistic Electron Scattering Based on the Newly Developed Self-consistent RC/EMIC Waves Model by Khazanov et al. [2006]

It is well known that the effects of EMIC waves on RC ion and RB electron dynamics strongly depend on such particle/wave characteristics as the phase-space distribution function, frequency, wave-normal angle, wave energy, and the form of wave spectral energy density. Therefore, realistic characteristics of EMIC waves should be properly determined by modeling the RC-EMIC waves evolution self-consistently. Such a selfconsistent model progressively has been developing by Khaznnov et al. [2002-2006]. It solves a system of two coupled kinetic equations: one equation describes the RC ion dynamics and another equation describes the energy density evolution of EMIC waves. Using this model, we present the effectiveness of relativistic electron scattering and compare our results with previous work in this area of research.

Khazanov, G. V.↗
DOE OSTI2024

Capturing Coupled Structural and Electronic Motions During Excited-State Intramolecular Proton Transfer via Computational Multiedge Resonant Inelastic X-ray Scattering

Proton-transfer processes build the foundation of many chemical processes. In Excited State Intramolecular Proton Transfer (ESIPT) processes the proton transfer process is impulsively started through light. Here, in this study, we explore the changes in coupled atomic and electronic motions during and following ESIPT through computational time-resolved Resonant Inelastic X-ray Scattering (trRIXS). Excited-state Ab Initio Molecular Dynamics (AIMD) simulations combined with Time-Dependent Density Functional Theory (TDDFT) calculations were performed for 10-hydroxybenzo[h]quinoline to obtain trRIXS signatures. RIXS at both the nitrogen and oxygen K-edges were computed to resolve the dynamics electronic structure from both the proton donor and acceptor perspective. The results show how RIXS can reveal the local electronic structure, the coupling between different electronic states and how electronic structure and coupling change during the proton transfer process. Additionally, we observe a strong correlation between spectral changes and structural changes during ESIPT.

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

Experimental demonstration of attosecond pump–probe spectroscopy with an X-ray free-electron laser

Pump–probe experiments with subfemtosecond resolution are the key to understanding electronic dynamics in quantum systems. Here we demonstrate the generation and control of subfemtosecond pulse pairs from a two-colour X-ray free-electron laser. By measuring the delay between the two pulses with an angular streaking diagnostic, we characterize the group velocity of the X-ray free-electron laser and show control of the pulse delay down to 270as. Here, we confirm the application of this technique to a pump–probe measurement in core-ionized para-aminophenol. These results reveal the ability to perform pump–probe experiments with subfemtosecond resolution and atomic site specificity.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Electron transport in a tokamak scrape-off layer: impact of toroidal nonuniformities of divertor targets

An analysis of electron dynamics is carried out in the tokamak scrape-off layer (SOL) region. Small non-axisymmetric perturbations of the divertor target sheath potential affect electron drift orbits in the SOL and may lead to non-ambipolar electron radial transport. The resulting rates of electron convection, diffusion, and mobility are calculated analytically, and the analytic results are compared with direct numerical simulations of electron drift orbits. The proposed mechanism of non-ambipolar electron transport may be relevant to the sustainment of the SOL plasma quasi-neutrality in the ‘heuristic’ model of the SOL width (Eich et al 2011 Phys. Rev. Lett. 107 215001).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2021

Electron Energy Interplay in the Geomagnetic Trap Below the Auroral Acceleration Region

This publication addresses the collisional superthermal electron dynamics below the auroral acceleration region (AAR). This region is the portion of an auroral field line with a field-aligned electric field that leads to the formation of precipitating monoenergetic keV electron fluxes that produce the discrete auroral displays observable from the ground. It is assumed that these precipitating electron fluxes are monoenergetic and accelerated through a potential drop, V, such that these electrons are peaked at an energy E0 = eV, where e is the electron charge. Monoenergetic electrons precipitating into the upper atmosphere degrade to lower energies via many different collisional processes and produce the secondary electron population with energies of 10–100s eV which escapes back to magnetospheric altitudes and becomes geomagnetically trapped between the AAR and the upper ionosphere. The secondary electrons in this geomagnetic trap transfer energy via elastic Coulomb collisions to the thermal electrons. That energy is then returned to the topside ionosphere as heat flux carried by the electron thermal conduction which is essential to maintaining the topside electron temperature.

George V Khazanov↗
DOE OSTI2025

Plasma gradient effect on direct laser acceleration

The transfer of a high-intensity laser pulse energy to a high-energy electron beam via the direct laser acceleration mechanism is shown to be significantly enhanced through control of the plasma density gradient. Experiments performed using the OMEGA EP facility's high-intensity beams altered the plasma density and gradients by changing the Mach number and the angle of the gas-jet nozzle to the laser axis. When a long density gradient at the rear of the target is used, the total high-energy electron number measured was enhanced by 4.5 times compared to a shorter rear gradient. Complementary two-dimensional simulations, which follow the laser field evolution and the corresponding electron dynamics, strongly support the key trends observed in the experiment. The effect is twofold, the long density gradient provides the longest acceleration distance while it minimizes the formation of the sheath field as the electron beam exits into the vacuum. This study shows the importance of tailoring the plasma density.

Laser plasma interactions↗
NASA NTRS1989

A diagnostic for determining the quality of single-reference electron correlation methods

It was recently proposed that the Euclidian norm of the t sub 1 vector of the coupled cluster wave function (normalized by the number of electrons included in the correlation procedure) could be used to determine whether a single-reference-based electron correlation procedure is appropriate. This diagnostic, T sub 1, is defined for use with self consistent field molecular orbitals and is invariant to the same orbital rotations as the coupled cluster energy. T sub 1 is investigated for several different chemical systems which exhibit a range of multireference behavior, and is shown to be an excellent measure of the importance of nondynamical electron correlation and is far superior to C sub 0 from a singles and doubles configuration interaction wave function. It is further suggested that when the aim is to recover a large fraction of the dynamical electron correlation energy, a large T sub 1 (i.e., greater than 0.02) probably indicates the need for a multireference electron correlation procedure.

Lee, Timothy J.↗