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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

PIC simulations of wave-particle interactions with an initial electron velocity distribution from a kinetic ring current model

Whistler wave-particle interactions play an important role in the Earth inner magnetospheric dynamics and have been the subject of numerous investigations. By running a global kinetic ring current model (RAM-SCB) in a storm event occurred on Oct 23–24 2002, we obtain the ring current electron distribution at a selected location at MLT of 9 and L of 6 where the electron distribution is composed of a warm population in the form of a partial ring in the velocity space (with energy around 15 keV) in addition to a cool population with a Maxwellian-like distribution. The warm population is likely from the injected plasma sheet electrons during substorm injections that supply fresh source to the inner magnetosphere. These electron distributions are then used as input in an implicit particle-in-cell code (iPIC3D) to study whistler-wave generation and the subsequent wave-particle interactions. Here, we find that whistler waves are excited and propagate in the quasi-parallel direction along the background magnetic field. Several different wave modes are instantaneously generated with different growth rates and frequencies. The wave mode at the maximum growth rate has a frequency around 0.62ω ce , which corresponds to a parallel resonant energy of 2.5 keV. Linear theory analysis of wave growth is in excellent agreement with the simulation results. These waves grow initially due to the injected warm electrons and are later damped due to cyclotron absorption by electrons whose energy is close to the resonant energy and can effectively attenuate waves. The warm electron population overall experiences net energy loss and anisotropy drop while moving along the diffusion surfaces towards regions of lower phase space density, while the cool electron population undergoes heating when the waves grow, suggesting the cross-population interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Neutral particle dynamics in a high-power RF source

Previous studies on the spatial discharge structure in the SPIDER source of negative hydrogen/deuterium ions carried out at low applied power are extended towards description of the discharge maintenance under the conditions of the actual rf power deposition of 100 kW planned for a single driver of the source. In addition to the expected higher electron density, the results show strong increase of the electron temperature and of the temperatures of the neutral species (hydrogen atoms and molecules). In the discussions, not only the spatial distribution of the plasma parameters but also that of the fluxes in the discharge (particle and energy fluxes) is involved. The obtained results come in confirmation of basic concepts for low-pressure discharge maintenance: (i) mutually related electron density and temperature as a display of the generalized Schottky condition, (ii) discharge behavior governed by the fluxes, i.e. strong nonlocality in the discharge, and (iii) a non-ambipolarity in the discharge regime, which originates from shifted maxima of the electron density and temperature and shows evidence in a vortex electron flux and in a dc current in a rf discharge, the latter resulting from a shift in the positions of the maxima of the electron density and plasma potential.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Helicon normal modes in Proto-MPEX

Here, the Proto-MPEX helicon source has been operating in a high electron density 'helicon-mode'. Establishing plasma densities and magnetic field strengths under the antenna that allow for the formation of normal modes of the fast-wave are believed to be responsible for the 'helicon-mode'. A 2D finite-element full-wave model of the helicon antenna on Proto-MPEX is used to identify the fast-wave normal modes responsible for the steady-state electron density profile produced by the source. We also show through the simulation that in the regions of operation in which core power deposition is maximum the slow-wave does not deposit significant power besides directly under the antenna. In the case of a simulation where a normal mode is not excited significant edge power is deposited in the mirror region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

The Latest Code Development Progress of JSPEC

The JLab Simulation Package on Electron Cooling (JSPEC) is an open source software developed at Jefferson Lab for electron cooling and intrabeam scattering (IBS) simulations. IBS is an important factor that leads to the growth of the beam emittance and hence the reduction of the luminosity in a high density ion collider ring. Electron cooling is an effective measure to overcome the IBS effect. Although JSPEC is initiated to fulfill the simulation needs in JLab Electron Ion Collider project, it can be used as a general design tool for other accelerators. JSPEC provides various models of the ion beam and the electron beam and it calculates the expansion rate and simulates the evolution of the ion beam under the IBS and/or electron cooling effect. In this report, we will give a brief introduction of JSPEC and then present the latest code development progress of JSPEC, including new models, algorithms, and the user interface.

Zhang, Y.↗
NASA NTRS2016

Electron Energetics in the Martian Dayside Ionosphere: Model Comparisons with MAVEN Data

This paper presents a study of the energetics of the dayside ionosphere of Mars using models and data from several instruments on board the Mars Atmosphere and Volatile EvolutioN spacecraft. In particular, calculated photoelectron fluxes are compared with suprathermal electron fluxes measured by the Solar Wind Electron Analyzer, and calculated electron temperatures are compared with temperatures measured by the Langmuir Probe and Waves experiment. The major heat source for the thermal electrons is Coulomb heating from the suprathermal electron population, and cooling due to collisional rotational and vibrational CO2 dominates the energy loss. The models used in this study were largely able to reproduce the observed high topside ionosphere electron temperatures (e.g., 3000 K at 300 km altitude) without using a topside heat flux when magnetic field topologies consistent with the measured magnetic field were adopted. Magnetic topology affects both suprathermal electron transport and thermal electron heat conduction. The effects of using two different solar irradiance models were also investigated. In particular, photoelectron fluxes and electron temperatures found using the Heliospheric Environment Solar Spectrum Radiation irradiance were higher than those with the Flare Irradiance Spectrum Model-Mars. The electron temperature is shown to affect the O2(+) dissociative recombination rate coefficient, which in turn affects photochemical escape of oxygen from Mars.

magnetic topology↗
DOE OSTI2022

libwfa: Wavefunction analysis tools for excited and open‐shell electronic states

Abstract An open‐source software library for wavefunction analysis, libwfa, provides a comprehensive and flexible toolbox for post‐processing excited‐state calculations, featuring a hierarchy of interconnected visual and quantitative analysis methods. These tools afford compact graphical representations of various excited‐state processes, provide detailed insight into electronic structure, and are suitable for automated processing of large data sets. The analysis is based on reduced quantities, such as state and transition density matrices (DMs), and allows one to distill simple molecular orbital pictures of physical phenomena from intricate correlated wavefunctions. The implemented descriptors provide a rigorous link between many‐body wavefunctions and intuitive physical and chemical models, for example, exciton binding, double excitations, orbital relaxation, and polyradical character. A broad range of quantum‐chemical methods is interfaced with libwfa via a uniform interface layer in the form of DMs. This contribution reviews the structure of libwfa and highlights its capabilities by several representative use cases. This article is categorized under: Software > Quantum Chemistry Theoretical and Physical Chemistry > Spectroscopy

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

Operation modes of the KATRIN experiment Tritium Loop System using 83m Kr

The KArlsruhe TRItium Neutrino (KATRIN) experiment aims to search for the effective electron antineutrino mass with a sensitivity of 0.2 eV (90 % C.L.). In order to achieve this goal, KATRIN measurement phases focusing on the neutrino mass search are alternated with phases of investigations of systematic effects. During these phases, metastable 83m Kr is used as a calibration source. The monoenergetic conversion electrons emitted accompanying the decay of 83m Kr allow a direct access to the starting conditions of β-electrons produced inside the windowless gaseous tritium source (WGTS) of KATRIN. To make use of 83m Kr in the WGTS, the Tritium Loop System, which provides a stable flow of tritium to the WGTS, needs to be operated in special modes. This paper focuses on the technical implementation of these modes and their performance with regard to the achievable 83m Kr-rates, gas densities, and gas compositions inside the WGTS.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Coherence and superradiance from a plasma-based quasiparticle accelerator

Coherent light sources, such as free electron lasers, provide bright beams for biology, chemistry, physics, and advanced technological applications. Increasing the brightness of these sources requires progressively larger devices, with the largest being several km long (e.g., LCLS). Can we reverse this trend, and bring these sources to the many thousands of labs spanning universities, hospitals, and industry? Here we address this long-standing question by rethinking the basic principles of radiation physics. At the core of our work is the introduction of quasiparticle-based light sources that rely on the collective and macroscopic motion of an ensemble of light-emitting charges to evolve and radiate in ways that would be unphysical when considering single charges. The underlying concept allows for temporal coherence and superradiance in new configurations, such as in plasma accelerators, providing radiation with intriguing properties and clear experimental signatures spanning nearly 10 octaves, from THz to the extreme ultra-violet. The concept extends well beyond this case, such as to nonlinear optical configurations. Furthermore, the simplicity of the quasiparticle approach makes it suitable for experimental demonstrations at existing laser and accelerator facilities.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Theory and Simulation of Ultrafast Multidimensional Nonlinear X-ray Spectroscopy of Molecules (Final Report)

Emerging X-ray free electron laser (XFEL) beam sources offer new types of probes of matter with unprecedented spatial and temporal resolutions. These experimental advances must be met by robust theoretical and computational tools that provide predictive modeling capacity of the underlining electronic and structural dynamics. The latter will be essential for the design of sophisticated multi-pulse experiments and for their interpretation. The proposed research effort will focus on developing cutting- edge simulation tools for nonlinear multidimensional X-ray/optical spectroscopies and aims to address key questions in Priority Research Opportunities 1 (Probing and controlling electron motion within a molecule) and 3 (Capturing rare events and intermediate states in the transformation of matter) as mentioned in the BES Roundtable Report “Opportunities for Basic Research at the Frontiers of XFEL Ultrafast Science”. XFEL multidimensional nonlinear techniques, which combine sequences of X-ray and possibly optical pulses, provide a unique experimental toolbox for probing the dynamics of core and valence electronic excitations, as well as material structure. Predictive modeling of these dynamical processes requires the combination of analytical theory for nonlinear interactions of light and matter, robust quantum-chemical methodologies for the accurate description of electronic structure of various materials, and multiscale ab initio electron and nuclear dynamics techniques operating beyond Born-Oppenheimer approximation. These challenges will be addressed with three research thrusts (i) Develop and implement theoretical apparatus for modeling a broad range of multidimensional spectroscopic techniques enabled by present and upcoming XFEL facilities. This thrust also includes the incorporation of a computational module in the DOE supported open-source NWChem computational chemistry package as well as the development of other open-source codes ready for dissemination across a broad user base; (ii) Propose and design new multi-pulse experiments that make use of the capabilities of the incoming LCLS-II facility; (iii) Perform selected applications to specific molecular systems that can be carried out at LCLS-II and demonstrate how these X-ray sources may be used to study nonadiabatic dynamics through conical interactions, electronic correlations in multi-core excitons, and charge transfer/energy transfer processes. The proposed research will be carried out by a multi-disciplinary four-institution research team which combines academia and national laboratories and spans the broad and necessary expertise in theoretical spectroscopy, nonlinear optics, quantum chemistry, molecular non-adiabatic dynamics and code development. The work will be performed in a highly interactive team environment with junior researchers shared between institutions thus cementing cross- disciplinary interactions. The developed simulation tools will be immediately deployed for XFEL facility users, both experimentalists and theorists, via freely distributed codes and databases. Altogether, this project will facilitate establishing XFEL-based multidimensional spectroscopies as a novel diagnostic tool for monitoring electronic and structural dynamics in molecular materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Optimization of ion-atomic beam source for deposition of GaN ultrathin films

We describe the optimization and application of an ion-atomic beam source for ion-beam-assisted deposition of ultrathin films in ultrahigh vacuum. The device combines an effusion cell and electron-impact ion beam source to produce ultra-low energy (20–200 eV) ion beams and thermal atomic beams simultaneously. The source was equipped with a focusing system of electrostatic electrodes increasing the maximum nitrogen ion current density in the beam of a diameter of ≈15 mm by one order of magnitude (j ≈ 1000 nA/cm{sup 2}). Hence, a successful growth of GaN ultrathin films on Si(111) 7 × 7 substrate surfaces at reasonable times and temperatures significantly lower (RT, 300 °C) than in conventional metalorganic chemical vapor deposition technologies (≈1000 °C) was achieved. The chemical composition of these films was characterized in situ by X-ray Photoelectron Spectroscopy and morphology ex situ using Scanning Electron Microscopy. It has been shown that the morphology of GaN layers strongly depends on the relative Ga-N bond concentration in the layers.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Cooling Design and Thermal Analysis for Thermal Shields of a Cryocooler-Cooled Superconducting ECR Ion Source MARS-D Magnet

Here, a demonstrative NbTi based Mixed Axial and Radial field System (MARS-D) is being developed for a next-Generation Electron Cyclotron Resonance Ion Source (ECRIS) at Lawrence Berkeley National Laboratory (LBL), which employs a novel closed-loop coil design scheme that more efficiently utilizes conductor fields and extend the application of NbTi for high frequency (up to 45 GHz) ECR operation. The NbTi MARS-D magnet consists of a single hexagonally shaped closed-loop coil and a set of auxiliary solenoids. A cryostat for cooling the MARS-D magnet is under design at LBL. The MARS-D magnet working around 4.2 K will be bath-cooled in liquid helium using multiple two-stage cryocoolers. An intermediate temperature thermal radiation shield is adopted to reduce the heat leakage imposed on 4.2 K coil cold mass from room temperature. The thermal shield is conduction-cooled by the first-stage cold heads of four two-stage cryocoolers and the cold head of a single-stage cryocooler shared with nine binary leads. The temperature in the area of the shield that warm ends of HTS leads are mounted on is expected no higher than 60 K, which is limited by maximum allowable working temperature of HTS leads. The paper presents thermal analysis on the thermal radiation shield including heat loads and effects of eddy current induced during quench on its material selection.

ECRIS↗
DOE OSTI2017

Strategy for Texture Management in Metals Additive Manufacturing

Additive manufacturing (AM) technologies have long been recognized for their ability to fabricate complex geometric components directly from models conceptualized through computers, allowing for complicated designs and assemblies to be fabricated at lower costs, with shorter time to market, and improved function. Lacking behind the design complexity aspect is the ability to fully exploit AM processes for control over texture within AM components. Currently, standard heat-fill strategies utilized in AM processes result in largely columnar grain structures. Here, we propose a point heat source fill for the electron beam melting (EBM) process through which the texture in AM materials can be controlled. Using this point heat source strategy, the ability to form either columnar or equiaxed grain structures upon solidification through changes in the process parameters associated with the point heat source fill is demonstrated for the nickel-base superalloy, Inconel 718. Mechanically, the material is demonstrated to exhibit either anisotropic properties for the columnar-grained material fabricated through using the standard raster scan of the EBM process or isotropic properties for the equiaxed material fabricated using the point heat source fill.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Non-invasive probe diagnostic method for electron temperature and ion current density in atmospheric pressure plasma jet source

The electrical probe diagnostics are very hard to be applied to atmospheric plasmas due to severe perturbation by the electrical probes. To overcome this, the probe for measuring electron temperature and ion current density is indirectly contacted with an atmospheric jet source. The plasma parameters are obtained by using floating harmonic analysis. The probe is mounted on the quartz tube that surrounds plasma. When a sinusoidal voltage is applied to a probe contacting on a quartz tube, the electrons near the sheath at dielectric tube are collected and the probe current has harmonic components due to probe sheath nonlinearity. From the relation of the harmonic currents and amplitude of the sheath voltage, the electron temperature near the wall can be obtained with collisional sheath model. The electron temperatures and ion current densities measured at the discharge region are in the ranges of 2.7–3.4 eV and 1.7–5.2 mA/cm{sup 2} at various flow rates and input powers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Conditional guided generative diffusion for particle accelerator beam diagnostics

Abstract Advanced accelerator-based light sources such as free electron lasers (FEL) accelerate highly relativistic electron beams to generate incredibly short (10s of femtoseconds) coherent flashes of light for dynamic imaging, whose brightness exceeds that of traditional synchrotron-based light sources by orders of magnitude. FEL operation requires precise control of the shape and energy of the extremely short electron bunches whose characteristics directly translate into the properties of the produced light. Control of short intense beams is difficult due to beam characteristics drifting with time and complex collective effects such as space charge and coherent synchrotron radiation. Detailed diagnostics of beam properties are therefore essential for precise beam control. Such measurements typically rely on a destructive approach based on a combination of a transverse deflecting resonant cavity followed by a dipole magnet in order to measure a beam’s 2D time vs energy longitudinal phase-space distribution. In this paper, we develop a non-invasive virtual diagnostic of an electron beam’s longitudinal phase space at megapixel resolution (1024 × 1024) based on a generative conditional diffusion model. We demonstrate the model’s generative ability on experimental data from the European X-ray FEL.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Nonadiabatic dynamics with classical trajectories: The problem of an initial coherent superposition of electronic states

Advances in coherent light sources and development of pump–probe techniques in recent decades have opened the way to study electronic motion in its natural time scale. When an ultrashort laser pulse interacts with a molecular target, a coherent superposition of electronic states is created and the triggered electron dynamics is coupled to the nuclear motion. A natural and computationally efficient choice to simulate this correlated dynamics is a trajectory-based method where the quantum-mechanical electronic evolution is coupled to a classical-like nuclear dynamics. These methods must approximate the initial correlated electron–nuclear state by associating an initial electronic wavefunction to each classical trajectory in the ensemble. Different possibilities exist that reproduce the initial populations of the exact molecular wavefunction when represented in a basis. We show that different choices yield different dynamics and explore the effect of this choice in Ehrenfest, surface hopping, and exact-factorization-based coupled-trajectory schemes in a one-dimensional two-electronic-state model system that can be solved numerically exactly. Furthermore, this work aims to clarify the problems that standard trajectory-based techniques might have when a coherent superposition of electronic states is created to initialize the dynamics, to discuss what properties and observables are affected by different choices of electronic initial conditions and to point out the importance of quantum-momentum-induced electronic transitions in coupled-trajectory schemes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Measurement of the absolute number of photons of the hard X-ray beamline at the Linac Coherent Light Source

X-ray free-electron lasers provide intense pulses of coherent X-rays with a short pulse duration. These sources are chaotic by nature and therefore, to be used at their full potential, require that every X-ray pulse is characterized in terms of various relevant properties such as intensity, photon energy, position and timing. Diagnostics are for example installed on an X-ray beamline to specifically monitor the intensity of individual X-ray pulses. To date, these can however only provide a single-shot value of the relative number of photons per shot. Here are reported measurements made in January 2015 of the absolute number of photons in the hard X-ray regime at LCLS which is typically 3.5 × 10 11 photons shot –1 between 6 and 9.5 keV at the X-ray Pump–Probe instrument. Moreover, an average transmission of ≈62% of the hard X-ray beamline over this energy range is measured and the third-harmonic content of ≈0.47% below 9 keV is characterized.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Metal-poor dwarf galaxies in the SIGRID galaxy sample. II. The electron temperature-abundance calibration and the parameters that affect it

In this paper, we use the Mappings photoionization code to explore the physical parameters that impact on the measurement of electron temperature and abundance in H II regions. In our previous paper, we presented observations and measurements of physical properties from the spectra of 17 H II regions in 14 isolated dwarf irregular galaxies from the SIGRID sample. Here, we analyze these observations further, together with three additional published data sets. We explore the effects of optical thickness, electron density, ionization parameter, ionization source, and non-equilibrium effects on the relation between electron temperature and metallicity. We present a standard model that fits the observed data remarkably well at metallicities between one-tenth and 1 solar. We investigate the effects of optically thin H II regions, and show that they can have a considerable effect on the measured electron temperature, and that there is evidence that some of the observed objects are optically thin. We look at the role of the ionization parameter and find that lower ionization parameter values give better fits at higher oxygen abundance. We show that higher pressures combined with low optical depth, and also κ electron energy distributions at low κ values, can generate the apparent high electron temperatures in low-metallicity H II regions, and that the former provides the better fit to observations. We examine the effects of these parameters on the strong line diagnostic methods. We extend this to three-dimensional diagnostic grids to confirm how well the observations are described by the grids.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1987

The low energy plasma in the Uranian magnetosphere

The Plasma Science experiment on Voyager 2 detected a magnetosphere filled with a tenuous plasma, rotating with the planet. Temperatures of the plasma, composed of protons and electrons, ranged from 10 eV to about 1 keV. The sources of these protons and electrons are probably the ionosphere of Uranus or the extended neutral hydrogen cloud surrounding the planet. As at earth, Jupiter, and Saturn, there is an extended magnetotail with a central plasma sheet. Although similar in global structure to the magnetospheres of these planets, the large angle between the rotation and magnetic axes of the planet and the orientation of the rotation axis with respect to the solar wind flow make the Uranian magnetosphere unique.

Mcnutt, R. L., Jr.↗