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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Electron-impact ionization from excited states method

We present a distorted-wave with exchange (DWE) formulation for computing electron-impact ionization (EII) cross sections within the recently developed excited states method (ESM) for plasmas. The ESM provides a self-consistent quantum-mechanical description of both bound and continuum electronic states in dense plasmas, incorporating finite-temperature and screening effects absent in isolated-atom approaches. Using this framework, we calculate EII cross sections for lithium across a wide range of temperatures and densities. We show that the ESM reproduces the isolated-atom limit at low densities while capturing strong plasma effects, such as pressure ionization and shape resonances, at solid density. Comparisons with isolated-atom DWE and average-atom (AA) calculations reveal that, although AA cross sections can approximate configuration average behavior, the ESM provides more accurate, state-resolved answers. In conclusion, these results demonstrate that the ESM allows one to obtain rate coefficients for collisional-radiative modeling of plasmas out of local thermodynamical equilibrium.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Electron-impact ionization of the Pb atom

Electron-impact ionization cross sections are calculated for the ground configuration of the Pb atom. Time-dependent close-coupling cross sections for the direct ionization of the 6 s and 6 p subshells leading to single ionization are calculated with and without a polarization potential. Configuration-average distorted-wave cross sections for the direct ionization of the 6 s and 6 p subshells leading to single ionization are also calculated with and without a polarization potential. We find the time-dependent close-coupling cross sections using a polarization potential to be in good agreement with convergent-close-coupling cross sections using a polarization potential. The total direct ionization cross sections are compared to two sets of experimental measurements. The differences between the direct ionization cross sections and the experimental measurements are mainly due to indirect ionization cross sections coming from the 6 s 2 6 p 2 → 6 s 6 p 3 excitation followed by autoionization..

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2026

Effects of screening and pressure ionization on the electron broadening of spectral lines in dense plasmas

Collisions between electrons and radiating atoms broaden spectral absorption and emission lines in dense plasmas. High densities also introduce screening and pressure ionization effects that distort the wave functions of both bound and free electrons. In order to study how dense plasma effects influence the electron broadening of spectral lines, this paper incorporates electron wave functions from an average-atom (AA) model to calculate the linewidth of the B III 2⁢𝑝−2⁢𝑠 transition at 𝑇 = 10 eV for mass densities ranging from 𝜌 = 10 −4 to 0.4⁢ g⁡/cc. The calculation method uses the impact approximation, allowing the linewidth to be written in terms of electron-collision cross sections and an interference term. Compared to an otherwise identical calculation that uses Coulomb free wave functions, the AA method is found to modify both the cross sections and the resulting linewidth at sufficiently high density by introducing screening and pressure-ionized bound states. Screening lowers the cross sections at low energies and near electron excitation thresholds, while pressure-ionized bound states introduce resonances into the continuum. Thus, as the density increases, the relative linewidth between the AA and Coulomb calculations follows a general decrease because of screening, with sharp increases at various intervals due to pressure ionization. Finally, the AA results are also compared with a common approach to introduce screening through the interaction potential and reduced models that use the Bethe formula for the inelastic electron-collision cross sections.

electronic excitation & ionization↗
DOE OSTI2021

The Radar Echo Telescope for Cosmic Rays: Pathfinder experiment for a next-generation neutrino observatory

The Radar Echo Telescope for Cosmic Rays (RET-CR) is a recently funded experiment designed to detect the englacial cascade of a cosmic ray-initiated air shower via in-ice radar, toward the goal of a full-scale, next-generation experiment to detect ultrahigh energy neutrinos in polar ice. For cosmic rays with a primary energy greater than 10 PeV, roughly 10% of an air shower’s energy reaches the surface of a high elevation ice sheet (≳2 ˙km) concentrated into a radius of roughly 10 cm. This penetrating shower core creates an in-ice cascade orders of magnitude more dense than the preceding in-air cascade. Additionally, this dense cascade can be detected via the radar echo technique, where transmitted radio waves are reflected from the ionization deposit left in the wake of the cascade. RET-CR will test the radar echo method in nature, with the in-ice cascade of a cosmic ray-initiated air shower serving as a test beam. In this work, we present the projected event rate and sensitivity based upon a three part simulation using corsika, geant4, and radioscatter. RET-CR expects ~1 radar echo event per day.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

The contribution of Compton ionization to ultrafast x-ray scattering

We investigate the role of Compton ionization in ultrafast non-resonant x-ray scattering using a molecular model system, which includes the ionization continuum via an orthonormalized plane wave ansatz. Elastic and inelastic components of the scattering signal, as well as coherent-mixed scattering that arises from electron dynamics, are calculated. By virtue of a near-quantitative distinction between scattering related to electronic transitions into bound and continuum states, we demonstrate how Compton ionization contributes to the coherent-mixed component. Analogous to inelastic scattering, the contribution to the coherent-mixed signal is significant and particularly manifests at intermediate and high-momentum transfers. Strikingly, for molecules with inversion symmetry, the exclusion of bound or continuum transitions may lead to the prediction of spurious coherent-mixed signals. We conclude that qualitative and quantitative accuracies of predicted scattering signals on detectors without energy resolution require that elements of the two-electron density operator are used. This approach inherently accounts for all accessible electronic transitions, including ionization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

State-selective probing of CO 2 autoionizing inner valence Rydberg states with attosecond extreme ultraviolet four-wave-mixing spectroscopy

Nonlinear spectroscopies can disentangle spectra that are congested due to inhomogeneous broadening. Here, in conjunction with theoretical calculations, attosecond extreme ultraviolet (XUV) four-wave-mixing (FWM) spectroscopy is utilized to probe the dynamics of autoionizing inner valence excited Rydberg states of the polyatomic molecule, CO 2 . This tabletop nonlinear technique employs a short attosecond XUV pulse train and two noncollinear, few-cycle near-infrared pulses to generate background-free XUV wave-mixing signals. FWM emission is observed from the n=5-7 states of the Henning sharp ndσ g Rydberg series that converges to the ionic $\widetilde{B}$ 2 Σ$^{+}_{u}$ state. However, these transient emission signals decay with lifetimes of 33 ± 6, 53 ± 2, and 94 ± 2 fs, respectively, which calculations show are consistent with the lifetimes of the short-lived n=6-8 members of the nsσ g character Henning diffuse Rydberg series. The oscillator strengths of transitions between states involved in all possible resonant FWM processes are calculated, verifying that the nonlinear spectra are dominated by pathways described by an initial excitation to the diffuse nsσ g Rydberg series and emission from the sharp ndσ g Rydberg series. The results substantiate not only that attosecond XUV FWM spectroscopy produces rigorous and meaningful measurements of ultrafast dynamics in polyatomic systems, but also that nonlinear spectroscopic techniques are versatile tools to selectively probe dynamics that are otherwise difficult to access.

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

Hybrid Simulation of Proton Cyclotron Waves Upstream of Mars Generated by Pickup Ion Beam Distribution

Linear instability analysis as well as a corresponding two‐dimensional hybrid simulation are performed to examine the excitation of the proton cyclotron waves observed upstream of Mars. The waves are believed to be excited by the pickup ions produced from the ionization of the Martian hydrogen exosphere. And previous statistical analysis of wave observations suggested that the waves are mostly related to pickup ion beam velocity distributions. While earlier linear instability analysis of pickup ion beam distributions has mainly been focused on the parallel unstable modes, our analysis reveals that the maximum growth rate occurs at very oblique propagation. The corresponding hybrid simulation confirms the linear analysis results and further demonstrates that the pickup ions are scattered toward an isotropic shell velocity distribution by the waves excited. Interestingly, the waves at oblique propagation gradually damp out and the system is eventually dominated by waves of quasi‐parallel propagation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Direct observation of entangled electronic-nuclear wave packets

We present momentum resolved covariance measurements of entangled electronic-nuclear wave packets created and probed with octave spanning phaselocked ultrafast pulses. We launch vibrational wave packets on multiple electronic states via multiphoton absorption, and probe these wave packets via strong field double ionization using a second phaselocked pulse. Momentum resolved covariance mapping of the fragment ions highlights the nuclear motion, while measurements of the yield as a function of the relative phase between pump and probe pulses highlight the electronic coherence. The combined measurements allow us to directly visualize the entanglement between the electronic and nuclear degrees of freedom and follow the evolution of the complete wavefunction. Published by the American Physical Society 2024

Moğol, Gönenç↗
DOE OSTI2024

Space-Time Structured Plasma Waves

Electrostatic waves play a critical role in nearly every branch of plasma physics from fusion to advanced accelerators, to astro, solar, and ionospheric physics. The properties of planar electrostatic waves are fully determined by the plasma conditions, such as density, temperature, ionization state, or details of the distribution functions. Furthermore we demonstrate that electrostatic wave packets structured with space-time correlations can have properties that are independent of the plasma conditions. For instance, an appropriately structured electrostatic wave packet can travel at any group velocity, even backward with respect to its phase fronts, while maintaining a localized energy density. These linear, propagation-invariant wave packets can be constructed with or without orbital angular momentum by superposing natural modes of the plasma and can be ponderomotively excited by space-time structured laser pulses like the flying focus.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Intense quasi-monochromatic resonant harmonic generation in the multiphoton ionization regime

Resonant high-order harmonics, which result in quasimonochromatic extreme ultraviolet light with coherent intensity enhancement involving autoionizing resonances, have been demonstrated from laser-ablated plumes in the tunnel-ionization regime. Here, we demonstrate resonant harmonics in the previously unexplored multiphoton-ionization regime. We demonstrate an intense resonant harmonic from gallium with an intensity enhancement ratio of 714 relative to the neighboring harmonics, achieved without the need for extreme ultraviolet filtering methods, thus preventing a typical photon flux loss of more than 70%. Three-dimensional time-dependent Schrödinger equation calculations reveal that this increase in the enhancement ratio is due to the lowelectron wave packet spreading in the multiphoton-ionization regime. These results reveal a method for increasing the intensity and monochromaticity of intense multimicrojoule femtosecond extreme ultraviolet light and will also facilitate understanding of the involvement of autoionizing resonances in generating resonant harmonics in the multiphoton-ionization regime.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Simultaneous imaging of vibrational, rotational, and electronic wave-packet dynamics in a triatomic molecule

Light-induced molecular dynamics often involve the excitation of several electronic, vibrational, and rotational states. Since the ensuing electronic and nuclear motion determines the pathways and outcomes of photoinduced reactions, our ability to monitor and understand these dynamics is crucial for molecular physics, physical chemistry, and photobiology. However, characterizing this complex motion represents a significant challenge when different degrees of freedom are strongly coupled. In this Letter, we demonstrate how the interplay between vibrational, rotational, and electronic degrees of freedom governs the evolution of molecular wave packets in the low-lying states of strong-field-ionized sulfur dioxide. Using time-resolved Coulomb explosion imaging (CEI) and quantum mechanical wave packet simulations, we directly map the bending vibrations of the molecule, show how the vibrational wave packet is influenced by molecular alignment, and elucidate the consequences of nuclear motion for the coupling between the two lowest electronic states of the cation. Furthermore, our results demonstrate that multicoincident CEI can be an efficient experimental tool for characterizing coupled electronic and nuclear motion in polyatomic molecules.

Atomic & molecular processes in external fields↗
DOE OSTI2020

Excited state dynamics of cis , cis -1,3-cyclooctadiene: UV pump VUV probe time-resolved photoelectron spectroscopy

We present UV pump, vacuum ultraviolet probe time-resolved photoelectron spectroscopy measurements of the excited state dynamics of cis,cis-1,3-cyclooctadiene. A 4.75 eV deep UV pump pulse launches a vibrational wave packet on the first electronically excited state, and the ensuing dynamics are probed via ionization using a 7.92 eV probe pulse. The experimental results indicate that the wave packet undergoes rapid internal conversion to the ground state in under 100 fs. Comparing the measurements with electronic structure and trajectory surface hopping calculations, we are able to interpret the features in the measured photoelectron spectra in terms of ionization to several states of the molecular cation.

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

Analysis of Narrow Bipolar Events Using Mode Decomposition Methods

Multi-resolution analysis methods can reveal the underlying physical dynamics of nonstationary signals, such as those from lightning. In this paper we demonstrate the application of two multi-resolution analysis methods: Ensemble Empirical Mode Decomposition (EEMD) and Variational Mode Decomposition (VMD) in a comparative way in the analysis of electric field change waveforms from lightning. EEMD and VMD decompose signals into a set of Intrinsic Mode Functions (IMFs). The IMFs can be combined using distance and divergence metrics to obtain noise reduction or to obtain new waveforms that isolate the physical processes of interest while removing irrelevant components of the original signal. We apply the EEMD and VMD methods to the observations of three close Narrow Bipolar Events (NBEs) that were reported by Rison et al. The ΔE observations reveal the occurrence of complex oscillatory processes after the main NBE sferic. We show that both EEMD and VMD are able to isolate the oscillations from the main NBE, with VMD being more effective of the two methods since it requires the least user supervision. The oscillations are found to begin at the end of the NBEs' downward fast positive breakdown and appear to be produced by a half-wavelength standing wave within a weakly-conducting resonant ionization cavity left behind in the wake of the streamer-based NBE event. In conclusion, additional analysis shows that one of the NBEs was likely initiated by an energetic cosmic ray shower, and also corrects a misinterpretation in the literature that fast breakdown is an artifact of NBE-like events in interferometer observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Shake loss intensities in x-ray photoelectron spectroscopy: Theory, experiment, and atomic composition accuracy for MgO and related compounds

The relative intensities of XPS core levels, scaled by their photoionization cross sections, are regularly used to determine sample atomic composition. Cross sections, however, give the intensity to all possible final states for the core ionizations, not just to the main peak. This includes all intrinsic satellite structure (shake states and, for open shell systems, the different ionic multiplets). In practice, for solids, this is usually experimentally impossible to determine accurately because such a satellite structure sits on the inelastically scattered electron background and cannot be easily separated. Therefore, usually, only the intensity of the main peak is used. This limits the ultimate possible accuracy of XPS composition determination. The purpose of the present paper is to examine the contributions that a theoretical analysis of losses of intensity can make to improve quantitation. For an MgO single crystal, we show that the correct stoichiometry of 1:1 can be recovered using the theoretical analysis of the experimental MgO peak ratio intensities. For materials with a sufficient bandgap for the XPS main peaks to be separated from the scattered background, the intensity of main peaks can often be accurately determined. Thus, if one uses theory to calculate that fraction of the total intensity lost from a main peak into all its satellite structure, the intensity of just main peaks could then be used to more accurately determine relative atom % composition. This work tests this approach using a single crystal MgO (50% Mg, 50% O) standard. Ab initio electronic structure theory of representative MgO clusters is used to determine Hartree–Fock wave functions for the ground state and final ionized states corresponding to the main Mg 2p and O1s XPS peaks of the oxide. The sudden approximation, SA, is used to determine the fractional losses from these main peaks to shake satellites, which is found to be greater for O1s than Mg2p. This results in predicted “apparent composition” for stoichiometric MgO of 55.2% Mg, 44.8% O instead of the true 50% Mg, 50% O. Equivalent theory for CaO results in a predicted apparent Ca value of 53.4%. Experimentally, using Mg2s or 2p intensity ratio to O1s, we find values between 52.2% and 56.0% Mg using two crystals and four different instrument electron pass energies. The average value of the measurements is 54.5% Mg when corrected for the presence of an adventitious carbon overlayer and slight surface hydroxide. Though this agreement with theory may be somewhat fortuitous, given the potential experimental errors, which are fully discussed, it is similar to that in our earlier study on LiF. We also present preliminary experimental data on Mg(OH) 2 and MgSO 4 , which show a similar trend of apparently higher than 50% Mg, but we have no theory values. We are not yet able to experimentally test for validation of the difference between apparent composition for MgO (55.2% Mg) and CaO (53.4% Ca), owing to significant carbonate formation at the surface of the single crystal CaO. Here, an important conclusion is that the theoretical determination of shake losses, obtained with ab initio wavefunctions and the SA, is likely to be a useful way to calibrate the accuracy and reliability of compositions obtained from XPS intensities and merits further study.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Emission-line Data Cubes of the HH 32 Stellar Jet

We analyze data cubes of over 60 emission lines in the HH 32 stellar jet acquired with the Keck Cosmic Web Imager (KCWI). The data cover the less explored blue portion of the spectrum between 3586 and 6351 Å and have both high spectral (R ∼ 10,000) and spatial (≲1″) resolution. The study includes all three major ionization states of oxygen, three Balmer lines, multiple lines of Fe ii and Fe iii, and the first data cubes ever acquired for important unblended diagnostic lines such as He ii λ4686, Ca i λ3933, and Mg i] λ4571. The data cubes generally sort according to excitation and have a relatively continuous progression from the highest-excitation ions (He ii, O iii) through the intermediate-excitation ions (O i and H i) to the lowest-excitation ions (Ca ii and Mg i). Merging the KCWI cubes with Hubble Space Telescope images leads to several new insights about the flow, including evidence for bow shocks, partial bow shocks, spur shocks, Mach disks, jet deflection shocks, a wiggling jet, and potential shock precursors. The most surprising result is that one of the velocity components of Fe ii in the Mach disk suddenly increases in flux relative to other lines by a factor of two, implying that the Mach disk vaporizes dust in the jet. Hence, jets must accelerate or entrain dust to speeds of over 300 km s{sup −1} without destroying the grains.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Impact of lithium wall conditioning and wave-frequency on high density lower hybrid current drive experiment on EAST

A series of dedicated lower hybrid current drive (LHCD) experiments on EAST shows that lithium wall conditioning extends LH current drive and heating up to the line-averaged density of n ̅_e≈ 4x1019 m-3 for both 2.45 and 4.6 GHz. Current drive at such a high density is crucial for the development of long-pulse non-inductive scenarios on EAST. With lithiation, the LH power injection of 1.5 MW at 2.45 GHz resulted in a drop of loop voltage of ~ 0.3 V, which is a comparable loop voltage drop observed with 1.1 MW at 4.6 GHz. The observed decrease in loop voltage is attributed mostly to the RF heating effect. Another LHCD experiment suggests that lithium wall coating has a more significant impact on the scrape-off-layer (SOL) properties than changes in the Greenwald fraction. LHCD at 2.45 GHz still suffers from a loss of efficiency. Enhanced power ionization in front of the launcher may cause the onset of density-dependent wave instabilities. The rise in the midplane SOL density may also accelerate a transition in the divertor regime, leading to additional ionization and collisional losses in the X-point divertor plasma. Ray-tracing modeling supports that a lower wave frequency is more prone to collisional power loss. The experiments confirm that lithiation is a useful tool to control the SOL plasma, and suggest that density control in front of the launcher may be critical to mitigating power loss mechanisms in the plasma boundary.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Thermal Weibel instability induced magnetic fields co-exist with linear wakes in laser-ionized plasmas

When a moderately intense, few-picosecond-long laser pulse ionizes gas to produce an underdense plasma column, a linear relativistic plasma wave or wake can be excited by the self-modulation instability that may prove useful for multi-bunch acceleration of externally injected electrons or positrons to high energies in a short distance. At the same time, due to the anisotropic temperature distributions of the ionized plasma electrons, the Weibel instability can self-generate magnetic fields throughout such a plasma on a few picoseconds timescale that can persist even longer than the lifetime of the wake. In the present paper, we first show using simulations that both these effects do indeed co-exist in space and time in the plasma. Using our simulations, we make preliminary estimates of the contribution to the transverse emittance growth of an externally injected beam due to the Weibel magnetic fields in a few-millimeter-long plasma. We then present the results of an experiment that has allowed us to measure the spatiotemporal evolution of the magnetic fields using an ultrashort relativistic electron probe beam. Both the topology and the lifetime of the Weibel instability induced magnetic fields in the experiment are in reasonable agreement with the fields induced by the Weibel instability in the simulations.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Particle-in-cell Monte Carlo-collision modeling of non-ideal effects in wave-heated dense microplasmas

A computational model for non-ideal plasma effects during the time evolution of a second-stage laser-heated discharge at high pressures is presented. The model extends a classical one-dimensional particle-in-cell Monte Carlo-collision (PIC-MCC) approach coupled with Maxwell's equations for the laser-heating process of a xenon plasma at 300 K temperature and 10–100 bar pressure. Plasma non-ideality resulting from Coulomb coupling at high plasma densities is manifested as a depression in the effective ionization potential of atoms and enhanced collision cross sections. These non-ideal effects are represented using the Ecker–Kröll model in the context of the PIC-MCC approach. We find that full ionization of the plasma is obtained on the picosecond timescale, starting from the skin layer and quickly expanding throughout the domain through an anomalous extension of the skin depth. More critically, we show that the inclusion of the non-ideal plasma effects results in more rapid ionization compared to an ideal plasma, especially at higher pressures. The ionization delay reduction is of the order of a fraction of a picosecond, corresponding to a 16% decrease at 100 bar. As the amplitude of the wave field is lowered, the ionization rate is lowered, making the plasma non-ideality effects more prominent.

Solmaz, Evrim (ORCID:0000000211830881)↗