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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Evidence for electron energization accompanying spontaneous formation of ion acceleration regions in expanding plasmas

We report experiments conducted in an expanding argon plasma generated in the inductive mode of a helicon source in the Hot hELIcon eXperiment–Large Experiment on Instabilities and Anisotropies facility. As the neutral gas pressure increases, the supersonic ion acceleration weakens. Increasing neutral pressure also alters the radial profile of electron temperature, density, and plasma potential upstream of the plasma expansion region. Langmuir probe measurements of the electron energy probability function (EEPF) show that heating of electrons at the plasma edge by RF fields diminishes with increasing gas pressure, yielding a plasma with a centrally peaked electron temperature, and flat potential profiles at higher neutral pressures. For neutral pressures at which ion acceleration regions develop in the expanding plasma plume, EEPFs reveal electrons with two temperature components.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Characterization of an RF-driven argon plasma at atmospheric pressure using broadband absorption and optical emission spectroscopy

Atmospheric pressure plasmas in argon are of particular interest due to the production of highly excited and reactive species enabling numerous plasma-aided applications. In this contribution, we report on absolute optical emission and absorption spectroscopy of a radio frequency (RF) driven capacitively coupled argon glow discharge operated in a parallel-plate configuration. This enabled the study of all key parameters including electron density and temperature, gas temperature, and absolute densities of atoms in highly electronically excited states. The space and time-averaged electron density and temperature were determined from the measurement of the absolute intensity of the electron-atom bremsstrahlung in the visible range. Considering the non-Maxwellian electron energy distribution function, an electron temperature (T e ) of 2.1 eV and an electron density (n e ) of 1.1 × 10 19 m –3 were obtained. The time-averaged and spatially resolved absolute densities of atoms in the metastable (1s 5 and 1s 3 ) and resonant (1s 4 and 1s 2 ) states of argon in pure Ar and Ar/He mixture were obtained by broadband absorption spectroscopy. The 1s 5 metastable atoms had the largest density near the sheath region with a maximum value of 8 × 10 17 m –3 , while all other 1s states had densities of at most 2 × 10 17 m –3 . Here, the dominant production and loss mechanisms of these atoms were discussed, in particular, the role of radiation trapping. We conclude with a comparison of the plasma properties of the argon RF glow discharges with the more common He equivalent and highlight their differences.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs

We report that community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, and interoperable interfaces that work with existing community codes to provide more functionality and composability than could be achieved with a single program. The Quantum Chemistry Common Driver and Databases (QCDB) project provides such capability through an application programming interface (API) that facilitates interoperability across multiple quantum chemistry software packages. In tandem with the Molecular Sciences Software Institute and their Quantum Chemistry Archive ecosystem, the unique functionalities of several CMS programs are integrated, including CFOUR, GAMESS, NWChem, OpenMM, Psi4, Qcore, TeraChem, and Turbomole, to provide common computational functions, i.e., energy, gradient, and Hessian computations as well as molecular properties such as atomic charges and vibrational frequency analysis. Both standard users and power users benefit from adopting these APIs as they lower the language barrier of input styles and enable a standard layout of variables and data. These designs allow end-to-end interoperable programming of complex computations and provide best practices options by default.

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

Experimental observation of a field-aligned ion beam produced by magnetic reconnection of two flux ropes

An ion beam field-aligned to the background guide field ($B$ 0 = $330$ G) was observed in a reconnection experiment on the Large Plasma Device and, to the authors' knowledge, is the first experimental observation of its kind. Two kink-unstable flux ropes ( L = 11 m, d = 7.6 cm) were made to collide, which allows magnetic reconnection to occur. Sub-Alfvénic ion beams with energies of up to 15 eV were then observed from measurements of the local ion energy distribution function. The beam ions do not appear to be heated. Further, they were correlated with the collision of the ropes and appear to be energized by magnetic reconnection. The results and interpretation of the measurements are supported by three-dimensional gyrokinetic particle simulations of the merging flux ropes and electric field measurements from previous experiments [W. Gekelman et al. , Astrophys. J. 853, 33 (2018)]. The mechanism behind the acceleration appears to be non-local.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Overview of the Langmuir probe system on the Mega Ampere Spherical Tokamak (MAST) Upgrade

A detailed description of the Langmuir probe system on Mega Ampere Spherical Tokamak Upgrade is presented. The system features 850 tile-embedded probes and 40 bespoke electronic modules that each have the capability to drive and acquire data from up to 16 probes in a time-multiplexed manner. The system provides spatiotemporal-resolved measurements (1 cm and ~1 ms, respectively) in the divertor region of ion saturation current, electron temperature, and floating potential. The standard interpretation of current-voltage (IV) characteristics is to apply a four-parameter fit, based on unmagnetized probe theory, which includes a linear model for the ion saturation region. In conclusion, to mitigate the effect of the magnetic field, analysis is restricted to the region of the IV characteristic, which is sensitive to only the tail of the electron energy distribution function.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Helium metastable density determination in the COST reference source by absolutely calibrated optical emission spectroscopy

Helium metastable densities in the COST Reference Microplasma Jet are estimated for a variety of He/N2 admixtures and dissipated powers by applying a collisional-radiative model to absolutely calibrated optical emission spectroscopy measurements. This is accomplished by delineating the excitation mechanisms that result in the N2(C–B) and N2+(B–X) emission bands, the latter of which is strongly coupled to the presence of helium metastables. A number of other plasma parameters are established and discussed for each operating condition including the electron energy distribution function, reduced electric field, rate constants, and electron density. With these parameters, the reaction rates for the primary ionization pathways are also calculated, emphasizing the importance of helium metastables for discharge sustainment. Good agreement with the existing literature is found for most plasma parameters and for helium metastable densities, in particular. A clear [N2]−1 relationship between the nitrogen concentration and density of helium metastables is demonstrated, as has been identified in previous studies in analogous atmospheric pressure plasma jets. This validates the efficacy of this optical technique for determining helium metastable densities and establishes it as a viable, and in many cases, more accessible alternative to other means of quantifying helium metastables in low-temperature plasmas.

Physics↗
DOE OSTI2016

Modulation of diode laser radiation for the formation of a distance-independent backscattered signal

We propose a probing regime, in which the backscattered signal energy is independent of the distance from the surface of a scattering object. This regime is implemented using a part of the laser radiation power. With respect to the efficiency of using the laser during one measurement, the proposed regime is close to the pseudorandom noise continuous wave lidar regime. Using diode lasers, the regime of the degenerate energy response function and the lidar regime can be implemented in a single device. The relations between the geometric parameters of the probing scheme and the modulation parameters of laser radiation are obtained. The dependence of the linearity range of the diode laser on the relation between the length of the receiving channel near-field zone and the length of the probed trace is substantiated. (control of laser radiation parameters)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Catch bond kinetics are instrumental to cohesion of fire ant rafts under load

Dynamic networks composed of constituents that break and reform bonds reversibly are ubiquitous in nature owing to their modular architectures that enable functions like energy dissipation, self-healing, and even activity. While bond breaking depends only on the current configuration of attachment in these networks, reattachment depends also on the proximity of constituents. Therefore, dynamic networks composed of macroscale constituents (not benefited by the secondary interactions cohering analogous networks composed of molecular-scale constituents) must rely on primary bonds for cohesion and self-repair. Toward understanding how such macroscale networks might adaptively achieve this, we explore the uniaxial tensile response of 2D rafts composed of interlinked fire ants ( S. invicta ). Through experiments and discrete numerical modeling, we find that ant rafts adaptively stabilize their bonded ant-to-ant interactions in response to tensile strains, indicating catch bond dynamics. Consequently, low-strain rates that should theoretically induce creep mechanics of these rafts instead induce elastic-like response. Our results suggest that this force-stabilization delays dissolution of the rafts and improves toughness. Nevertheless, above 35 % strain low cohesion and stress localization cause nucleation and growth of voids whose coalescence patterns result from force-stabilization. These voids mitigate structural repair until initial raft densities are restored and ants can reconnect across defects. However mechanical recovery of ant rafts during cyclic loading suggests that—even upon reinstatement of initial densities—ants exhibit slower repair kinetics if they were recently loaded at faster strain rates. These results exemplify fire ants’ status as active agents capable of memory-driven, stimuli-response for potential inspiration of adaptive structural materials.

Science & Technology - Other Topics↗
DOE OSTI2025

Photoselective isotope fractionation dynamics of N 2 with cosmo and atmospheric chemistry perspectives

Stable isotope ratio measurements provide valuable insights into a broad range of natural processes, from planetary atmospheres and climate to interstellar chemistry. Nitrogen, which has two stable isotopes, exhibits varying isotope ratios across the solar system. To model these observations, the isotope fraction as a function of energy is essential. At the Advanced Light Source (ALS), we measured the photodissociation of molecular nitrogen (N 2 ) with vacuum UV photons where a single photon is sufficiently energetic to dissociate the strong bond. The nitrogen atoms produced are scavenged with H 2 to form ammonia, whose isotopic makeup is determined. Blending the experiments with dynamical computations that include the shielding of light, we examine the isotopic composition and electronic atomic states produced. The measured photodissociation of N 2 at a natural isotopic composition with a frequency broad light beam exceptionally strongly favors the formation of the heavier nitrogen isotope, 15 N. Computations concur and suggest that the maximum in the quantum yield reflects significant variations in the specific electronic quantum states of the product N atoms that have quite different reactivities. Our quantum computations show that at similar energies, photodissociation of 14 N 14 N and 15 N 14 N can lead to different product channels. The computed dynamics include extensive state-selective spin–orbit and nonadiabatic couplings affecting the light absorption and dissociation pathways that proceed via the triplet manifold of states. Our results are relevant for future exploration missions, both in situ and sample-return and for other molecules such as O 2 and CO.

Komarova, Ksenia [Hebrew Univ. of Jerusalem (Israe↗
DOE OSTI2023

Constructing a Simulation Surrogate with Partially Observed Output

Gaussian process surrogates are a popular alternative to directly using computationally expensive simulation models. When the simulation output consists of many responses, dimension-reduction techniques are often employed to construct these surrogates. However, surrogate methods with dimension reduction generally rely on complete output training data. This article proposes a new Gaussian process surrogate method that permits the use of partially observed output while remaining computationally efficient. The new method involves the imputation of missing values and the adjustment of the covariance matrix used for Gaussian process inference. The resulting surrogate represents the available responses, disregards the missing responses, and provides meaningful uncertainty quantification. In conclusion, the proposed approach is shown to offer sharper inference than alternatives in a simulation study and a case study where an energy density functional model that frequently returns incomplete output is calibrated.

42 ENGINEERING↗
DOE OSTI2012

THE TWO STATES OF STAR-FORMING CLOUDS

We examine the effects of self-gravity and magnetic fields on supersonic turbulence in isothermal molecular clouds with high-resolution simulations and adaptive mesh refinement. These simulations use large root grids (512{sup 3}) to capture turbulence and four levels of refinement to follow the collapse to high densities, for an effective resolution of 8192{sup 3}. Three Mach 9 simulations are performed, two super-Alfvenic and one trans-Alfvenic. We find that gravity splits the clouds into two populations, one low-density turbulent state and one high-density collapsing state. The low-density state exhibits properties similar to non-self-gravitating in this regime, and we examine the effects of varied magnetic field strength on statistical properties: the density probability distribution function is approximately lognormal, the velocity power spectral slopes decrease with decreasing mean field strength, the alignment between velocity and magnetic field increases with the field, and the magnetic field probability distribution can be fitted to a stretched exponential. The high-density state is well characterized by self-similar spheres: the density probability distribution is a power law, collapse rate decreases with increasing mean field, density power spectra have positive slopes, P({rho}, k){proportional_to}k, thermal-to-magnetic pressure ratios are roughly unity for all mean field strengths, dynamic-to-magnetic pressure ratios are larger than unity for all mean field strengths, the magnetic field distribution follows a power-law distribution. The high Alfven Mach numbers in collapsing regions explain the recent observations of magnetic influence decreasing with density. We also find that the high-density state is typically found in filaments formed by converging flows, consistent with recent Herschel observations. Possible modifications to existing star formation theories are explored. The overall trans-Alfvenic nature of star-forming clouds is discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

ON THE ORIGIN OF THE HIGH COLUMN DENSITY TURNOVER IN THE H I COLUMN DENSITY DISTRIBUTION

We study the high column density regime of the H I column density distribution function and argue that there are two distinct features: a turnover at N{sub H{sub I}} Almost-Equal-To 10{sup 21} cm{sup -2}, which is present at both z = 0 and z Almost-Equal-To 3, and a lack of systems above N{sub H{sub I}} Almost-Equal-To 10{sup 22} cm{sup -2} at z = 0. Using observations of the column density distribution, we argue that the H I-H{sub 2} transition does not cause the turnover at N{sub H{sub I}} Almost-Equal-To 10{sup 21} cm{sup -2} but can plausibly explain the turnover at N{sub H{sub I}} {approx}> 10{sup 22} cm{sup -2}. We compute the H I column density distribution of individual galaxies in the THINGS sample and show that the turnover column density depends only weakly on metallicity. Furthermore, we show that the column density distribution of galaxies, corrected for inclination, is insensitive to the resolution of the H I map or to averaging in radial shells. Our results indicate that the similarity of H I column density distributions at z = 3 and 0 is due to the similarity of the maximum H I surface densities of high-z and low-z disks, set presumably by universal processes that shape properties of the gaseous disks of galaxies. Using fully cosmological simulations, we explore other candidate physical mechanisms that could produce a turnover in the column density distribution. We show that while turbulence within giant molecular clouds cannot affect the damped Ly{alpha} column density distribution, stellar feedback can affect it significantly if the feedback is sufficiently effective in removing gas from the central 2-3 kpc of high-redshift galaxies. Finally, we argue that it is meaningful to compare column densities averaged over {approx} kpc scales with those estimated from quasar spectra that probe sub-pc scales due to the steep power spectrum of H I column density fluctuations observed in nearby galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

MODELING OF THE NON-GAUSSIAN PDFs OF FIELD VARIATIONS AND INTERMITTENCY IN THE TURBULENT SOLAR WIND

The probability distribution functions (PDFs) of magnetic field variations display strong scale-dependent non-Gaussianity in the turbulent solar wind. This is a typical signature of intermittent turbulence. Physical modeling of the turbulent field variations based on the characteristics of the observed turbulence, including the variability of its power level, produces, free of parameter adjustment and over a broad range of inertial scales, accurate fits of the non-Gaussian PDFs. The effects of phase randomization and time resolution of the Fourier power spectra are further tested to determine which of the phase correlation or the spectral variability is responsible for the strong non-Gaussianity of the observed PDFs of field variations. The periods of enhanced power level are found to be responsible for the non-Gaussian tails of the PDFs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Three-dimensional simulations of pure deflagration models for thermonuclear supernovae

We present a systematic study of the pure deflagration model of Type Ia supernovae (SNe Ia) using three-dimensional, high-resolution, full-star hydrodynamical simulations, nucleosynthetic yields calculated using Lagrangian tracer particles, and light curves calculated using radiation transport. We evaluate the simulations by comparing their predicted light curves with many observed SNe Ia using the SALT2 data-driven model and find that the simulations may correspond to under-luminous SNe Iax. We explore the effects of the initial conditions on our results by varying the number of randomly selected ignition points from 63 to 3500, and the radius of the centered sphere they are confined in from 128 to 384 km. We find that the rate of nuclear burning depends on the number of ignition points at early times, the density of ignition points at intermediate times, and the radius of the confining sphere at late times. The results depend primarily on the number of ignition points, but we do not expect this to be the case in general. The simulations with few ignition points release more nuclear energy E{sub nuc}, have larger kinetic energies E{sub K}, and produce more {sup 56}Ni than those with many ignition points, and differ in the distribution of {sup 56}Ni, Si, and C/O in the ejecta. For these reasons, the simulations with few ignition points exhibit higher peak B-band absolute magnitudes M{sub B} and light curves that rise and decline more quickly; their M{sub B} and light curves resemble those of under-luminous SNe Iax, while those for simulations with many ignition points are not.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Swift heavy ion irradiation of Pt nanocrystals: II. Structural changes and H desorption

The structural properties and H desorption from embedded Pt nanocrystals (NCs) following irradiation with swift heavy ions were investigated as a function of energy and fluence. From x-ray absorption near-edge spectroscopy analysis, Pt-H bonding was identified in NCs annealed in a forming gas (95% N{sub 2} + 5% H{sub 2}) ambient. The H content decreased upon irradiation and the desorption process was NC-size dependent such that larger NCs required a higher fluence to achieve a H-free state. Pt-H bonding and NC dissolution both perturbed the NC structural parameters (coordination number, bond-length and mean-square relative displacement) as determined with extended x-ray absorption fine structure measurements.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Recent studies on nanosecond-timescale pressurized gas discharges

The results of recent experimental and numerical studies of nanosecond high-voltage discharges in pressurized gases are reviewed. The discharges were ignited in a diode filled by different gases within a wide range of pressures by an applied pulsed voltage or by a laser pulse in the gas-filled charged resonant microwave cavity. Fast-framing imaging of light emission, optical emission spectroscopy, X-ray foil spectrometry and coherent anti-Stokes Raman scattering were used to study temporal and spatial evolution of the discharge plasma density and temperature, energy distribution function of runaway electrons and dynamics of the electric field in the plasma channel. The results obtained allow a deeper understanding of discharge dynamical properties in the nanosecond timescale, which is important for various applications of these types of discharges in pressurized gases.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Optimization and supervised machine learning methods for fitting numerical physics models without derivatives

Here, we address the calibration of a computationally expensive nuclear physics model for which derivative information with respect to the fit parameters is not readily available. Of particular interest is the performance of optimization-based training algorithms when dozens, rather than millions or more, of training data are available and when the expense of the model places limitations on the number of concurrent model evaluations that can be performed. As a case study, we consider the Fayans energy density functional model, which has characteristics similar to many model fitting and calibration problems in nuclear physics. We analyze hyperparameter tuning considerations and variability associated with stochastic optimization algorithms and illustrate considerations for tuning in different computational settings.

97 MATHEMATICS AND COMPUTING↗