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At least 649 records · Page 36

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DOE OSTI2019

Direct Measurement of Backstreaming Ions from the Axis 2 Septum Dump and RF Generation

The DARHT-II accelerator produces a 2-kA, 17-MeV beam in a 1600-ns pulse. After exiting the accelerator, the pulse is sliced into four short pulses by a kicker and quadrupole septum and then transported for several meters to a high Z material target for conversion to x-rays for radiography. The un-kicked beam is diverted to a graphite dump. The interaction of this beam with the dump produces ions that propagate back to the target beamline and affect the beam properties. Coupling of the electron beam and ions to the beam dump vacuum chamber can also produce significant amounts of radiofrequency fields (RF) that disrupt the beam transport to the target. This requires a change in the nominal tune in order to minimize the heating of the carbon beam dump and suppress desorption of ions. Initially, ions are generated through stimulated desorption and ionization of the monolayers of water vapor stuck to the beam dump surface. These ions propagate upstream at high speeds and act as an electrostatic focusing lens by reducing the beam space charge. As the beam size on the dump decreases, the dump is sufficiently heated so that a surface plasma is formed and much greater quantities of ions are generated through temperature limited thermionic emission. The interaction of these ions with the beam creates RF which causes significant disruption of the beam. The results of a 3D PIC simulation show that ions can propagate back to the target beam line in about 500 ns. A beam position monitor (BPM) located just upstream of the septum was modified to include four capacitive pickups in addition to four of the usual inductive pickups. The inductive and capacitive pickups provide a measure of the beam current. The capacitive pickups are very sensitive to low velocity ions. As ions from the beam dump pass through the BPM the inductive and capacitive pickup will record two different measures of the beam current. Initial results from this BPM will be discussed along with other measurements which indicate the presence of backstreaming ions.

43 PARTICLE ACCELERATORS↗

DOE OSTI2015

Study of self-consistent particle flows in a plasma blob with particle-in-cell simulations

The self-consistent particle flows in a filamentary coherent structure along the magnetic field line in scrape-off layer (SOL) plasma (plasma blob) have been investigated by means of a three-dimensional electrostatic particle-in-cell simulation code. The presence of the spiral current system composed of the diamagnetic and parallel currents in a blob is confirmed by the particle simulation without any assumed sheath boundary models. Furthermore, the observation of the electron and ion parallel velocity distributions in a blob shows that those distributions are far from Maxwellian due to modification with the sheath formation and that the electron temperature on the higher potential side in a blob is higher than that on the lower potential side. Also, it is found that the ions on the higher potential side are accelerated more intensively along the magnetic field line than those on the lower potential side near the edge. This study indicates that particle simulations are able to provide an exact current closure to analysis of blob dynamics and will bring more accurate prediction of plasma transport in the SOL without any empirical assumptions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

A density-functional theory study of the Al/AlOx/Al tunnel junction

The aluminum oxide tunnel junction is a key component of the majority of superconducting quantum devices. For high-quality, reproducible, and scalably manufacturable qubits, the ability to fabricate Josephson junctions (JJs) with a targeted critical current and high uniformity is essential. In this study, we use first-principles modeling to assess fundamental aspects of the atomic structure of both amorphous and crystalline aluminum oxide tunnel junctions and relate the structure to predicted performance metrics. We use modified ab initio molecular dynamics to develop realistic models of the tunnel junction, from which interface roughness and local thickness fluctuations are analyzed in an unbiased manner by training a neural network to identify the boundary between metal and oxide. We show that the effective thickness of the insulating part of the junction can be different from the apparent physical thickness. We calculate the rate of Cooper pair tunneling for the atomically resolved electrostatic potential using direct numerical solution in 3D, which shows a channeling effect that impacts the junction critical current. The predicted critical current is a useful JJ design parameter that can be accessed from the ab initio calculations without fitting parameters. To assess the limits of uniformity and fabrication choices (e.g., oxidation vs epitaxy), we compare the amorphous junctions to crystalline models, which show order of magnitude more efficient tunneling compared to the amorphous case, underlining the connection between atomistic structure and Cooper pair tunneling efficiency. Further, this work provides a foundation for ab initio materials design and evaluation to help accelerate future development of improved tunnel junctions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Virtual anode effect in the propagation of positive streamers

Experiments made in a parallel-plate arrangement, where one of the plates is the ground plane and the other a positively charged dielectric sheet, show that at low air pressure the dielectric injects streamers onto the surrounding air. The similarities and differences between the streamers thus produced and those emitted from electrodes are discussed. The streamers here obtained were found to have diameters and speeds that are clearly dependent on pressure. Often the streamers were seen to decelerate markedly to the point of coming to a complete stop and on occasions even returning back to the dielectric they came from. The deceleration and the reflection of the streamers are attributed to a virtual anode created by the electrostatic image of the head's charge behind the ground plane. Field calculations performed corroborate this hypothesis. Through the use of an equation of motion of the positive head, it is then possible to obtain an estimate of the magnitude of its charge. The charge thus obtained was found to be in the 2.5–26 nC range.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Study of Cathode and Cavity Geometries in Electropolishing (EP): Electric Field Simulation

Niobium (Nb) superconducting radio frequency (SRF) cavities require electropolishing surface treatment to reach high acceleration gradient. EP performed in the plateau region of an I-V curve [1] leads to a smooth finish of the cavity surface including the equator surface. The equator surface is vital because a rough equator surface leads to premature quench and limit the cavity performance. Previous experimental work was performed to optimize EP parameters for low-beta (LB) 650 MHz Nb cavity [1]. It was found that different cathode surface areas vary the plateau onset voltage. A lower onset voltage was achieved for HB650 cavity with an enlarged cathode surface area. The aim of the study is to perform electrostatic and electrochemical simulation to understand the impact of both cavity geometry and cathodes. This report covers an initial result on electric field simulation performed with HB and LB 650 MHz cavities.

Loer, Bereket↗

NASA NTRS1989

Low-frequency electrostatic instabilities excited by injections of an electron beam in space

One-dimensional particle simulations have been carried out to study the low-frequency broadband electrostatic noise that propagates almost perpendicularly from the magnetic field line when a nonrelativistic electron beam is injected into space from a spacecraft. For T(e) = T(i) the electrostatic ion cyclotron waves appear as well as the waves near the lower hybrid frequency. When the magnetic field is reduced so that Omega(e) is much less than omega(pe) in a nonisothermal plasma, T(e) greater than T(i) oblique ion acoustic instabilities appear to propagate almost perpendicular to the magnetic field. In addition, a very low frequency mode at omega much less than Omega(i) is found to be generated by the electrons flowing into the conductor. Both the injected beam electrons as well as the ambient electrons flowing into the spacecraft are responsible for generating those instabilities, which accelerate ions perpendicular to the magnetic field.

Hwang, Y. S.↗

NASA NTRS2000

Freja Studies of the Current-Voltage Relation in Substorm-Related Events

Field-aligned currents and electrostatic potentials play important roles in the coupling between the magnetosphere and the ionosphere. If one assumes that the ionosphere-magnetosphere potential difference is mainly due to the mirror force, one can use the single particle adiabatic kinetic theory to describe the system. From this theory, a linear relationship j(sub II) = KV between field-aligned current density j(sub II) and potential drop V along the same field line can be derived, provided that the potential drop is not too large and not too small. With rare exceptions, observational tests of this relation have mainly concentrated on quiet magnetospheric situations, with acceleration voltages V approx. less than 5 kV. Here we use observations from the Freja satellite of precipitating auroral electrons at 1.700 km altitude to study substorm related events, with acceleration voltages up to 20 keV. The observations are found to be consistent with a linear current-voltage relation even i n these conditions, although with values of the field aligned K lower than previously reported (1-5 x 10(exp 11 S/sq m). This can be explained by lower densities and higher characteristic electron energies in the magnetospheric source region of the precipitating electrons. We analyze the data by three different methods, which are all found to be in general agreement. The results are in agreement with a previous study, where the spectra of precipitating electrons --were indirectly inferred by inversion of data from the EISCAT incoherent scatter radar, thereby validating the use of radar data for studies of auroral electrons. Comparisons with previous studies are made, emphasizing the dependence of the results on the type of auroral structure and magnetospheric conditions.

Olsson, A.↗

DOE OSTI2021

Proton switching molecular magnetoelectricity

Abstract The convergence of proton conduction and multiferroics is generating a compelling opportunity to achieve strong magnetoelectric coupling and magneto-ionics, offering a versatile platform to realize molecular magnetoelectrics. Here we describe machine learning coupled with additive manufacturing to accelerate the design strategy for hydrogen-bonded multiferroic macromolecules accompanied by strong proton dependence of magnetic properties. The proton switching magnetoelectricity occurs in three-dimensional molecular heterogeneous solids. It consists of a molecular magnet network as proton reservoir to modulate ferroelectric polarization, while molecular ferroelectrics charging proton transfer to reversibly manipulate magnetism. The magnetoelectric coupling induces a reversible 29% magnetization control at ferroelectric phase transition with a broad thermal hysteresis width of 160 K (192 K to 352 K), while a room-temperature reversible magnetic modulation is realized at a low electric field stimulus of 1 kV cm −1 . The findings of electrostatic proton transfer provide a pathway of proton mediated magnetization control in hierarchical molecular multiferroics.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Radioactive ion beam transportation for the fundamental symmetry study with laser-trapped atoms

The search for the violation of the fundamental symmetry in a radioactive atom is the promising candidate for precision tests of the standard model and its possible extensions. The subtle signal arising from the symmetry violation is enhanced in heavy atoms, such as a francium (Fr). To realize high precision measurements, a large amount of radioactive isotopes is required. The Fr is produced via a nuclear fusion reaction using a melted gold target with a {sup 18}O primary beam at Cyclotron and Radioisotope Center, Tohoku University. The maximum extraction efficiency of the Fr ion was achieved at approximately 35%. The beam line consists of an electrostatic deflector, three electrostatic quadrupole triplets to the measurement area at 10 m away from the reaction point, and several beam diagnosis systems. We optimized parameters of the beam line.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

New Septum Dump Quadrupole Magnet Design

The purpose of the septum dump quadrupole (SDQ) magnet is to expand the beam size on the septum dump of the DARHT Axis 2 downstream transport in the same manner as the S2 magnet expands the beam on the beam stop for mode 1 operations of DARHT Axis 2. This is necessary in order to minimize the heating of the carbon beam dump and suppress desorption of ions. Initially, ions are generated through stimulated desorption and ionization of the monolayers of water vapor stuck to the beam dump surface. These ions propagate upstream at high speeds and act as an electrostatic focusing lens by reducing the beam space charge. As the beam size on the dump decreases, the dump is sufficiently heated so that a surface plasma is formed and much greater quantities of ions are generated through space charge limited emission. The interaction of these ions with the beam causes significant disruption of the beam.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Suppression of the vacuum space-charge effect in fs-photoemission by a retarding electrostatic front lens

The performance of time-resolved photoemission experiments at fs-pulsed photon sources is ultimately limited by the e–e Coulomb interaction, downgrading energy and momentum resolution. Here, we present an approach to effectively suppress space-charge artifacts in momentum microscopes and photoemission microscopes. A retarding electrostatic field generated by a special objective lens repels slow electrons, retaining the k-image of the fast photoelectrons. The suppression of space-charge effects scales with the ratio of the photoelectron velocities of fast and slow electrons. Fields in the range from -20 to 01100 V/mm for E kin = 100 eV to 4 keV direct secondaries and pump-induced slow electrons back to the sample surface. Ray tracing simulations reveal that this happens within the first 40 to 3 μm above the sample surface for E kin = 100 eV to 4 keV. An optimized front-lens design allows switching between the conventional accelerating and the new retarding mode. Time-resolved experiments at E kin = 107 eV using fs extreme ultraviolet probe pulses from the free-electron laser FLASH reveal that the width of the Fermi edge increases by just 30 meV at an incident pump fluence of 22 mJ/cm2 (retarding field -21 V/mm). For an accelerating field of +2 kV/mm and a pump fluence of only 5 mJ/cm 2 , it increases by 0.5 eV (pump wavelength 1030 nm). At the given conditions, the suppression mode permits increasing the slow-electron yield by three to four orders of magnitude. The feasibility of the method at high energies is demonstrated without a pump beam at E kin = 3830 eV using hard x rays from the storage ring PETRA III. The approach opens up a previously inaccessible regime of pump fluences for photoemission experiments.

47 OTHER INSTRUMENTATION↗

DOE OSTI2018

Mechanism of the G-protein mimetic nanobody binding to a muscarinic G-protein-coupled receptor

Protein–protein binding is key in cellular signaling processes. Molecular dynamics (MD) simulations of protein–protein binding, however, are challenging due to limited timescales. In particular, binding of the medically important G-protein-coupled receptors (GPCRs) with intracellular signaling proteins has not been simulated with MD to date. Here, we report a successful simulation of the binding of a G-protein mimetic nanobody to the M 2 muscarinic GPCR using the robust Gaussian accelerated MD (GaMD) method. Through long-timescale GaMD simulations over 4,500 ns, the nanobody was observed to bind the receptor intracellular G-protein-coupling site, with a minimum rmsd of 2.48 Å in the nanobody core domain compared with the X-ray structure. Binding of the nanobody allosterically closed the orthosteric ligand-binding pocket, being consistent with the recent experimental finding. In the absence of nanobody binding, the receptor orthosteric pocket sampled open and fully open conformations. The GaMD simulations revealed two low-energy intermediate states during nanobody binding to the M 2 receptor. The flexible receptor intracellular loops contribute remarkable electrostatic, polar, and hydrophobic residue interactions in recognition and binding of the nanobody. As a result, these simulations provided important insights into the mechanism of GPCR–nanobody binding and demonstrated the applicability of GaMD in modeling dynamic protein–protein interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

GPU-accelerated kinetic Hall thruster simulations in WarpX

Abstract Two-dimensional (axial-azimuthal) simulations of a Hall thruster are performed using the open-source particle-in-cell code WarpX. The simulation conditions are chosen to match those of the axial-azimuthal benchmark first reported by Charoy et al. in 2019. A range of numerical and solver parameters is investigated in order to find those which yield the best performance. It is found that WarpX completes the benchmark case in 3.8 days on an Nvidia V100 GPU, and in as low as 1.5 days on a more recent Nvidia H100 GPU. Of the numerical parameters investigated, it is determined that the field-solve tolerance and particle resampling thresholds have the largest effect on the simulation wall time and that particle resampling may artificially widen electron velocity distribution functions, leading to unphysical heating. A semi-implicit scheme for the electrostatic field solve is tested and is found to produce results consistent to within 10% of the benchmark in less than twelve hours. The scaling properties of the electrostatic solver to multiple GPUs are also assessed on a uniform plasma test problem. The results of this work are discussed in the context of advancements in GPU hardware and the suitability of kinetic Hall thruster simulations for engineering applications.

Marks, Thomas A.↗

DOE OSTI2025

jaxhps: An elliptic PDE solver built with machine learning in mind

Elliptic partial differential equations (PDEs) can model many physical phenomena, such as electrostatics, acoustics, wave propagation, and diffusion. In scientific machine learning settings, a high-throughput PDE solver may be required to generate a training dataset, run in the inner loop of an iterative algorithm, or interface directly with a deep neural network. To provide value to machine learning users, such a PDE solver must be compatible with standard automatic differentiation frameworks, scale efficiently when run on graphics processing units (GPUs), and maintain high accuracy for a large range of input parameters. We have designed the jaxhps package with these use-cases in mind by implementing a highly efficient and accurate solver for elliptic problems with native hardware acceleration and automatic differentiation support.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Manufacturing Supply Chain Development for Modular Solar-Thermochemical Conversion Platform [Abstract]

We will develop a tunable pulsed electron source capable of generating variable intensity highly-focused electron pulses at high repetition rates. Specifically, we need to demonstrate a high-speed variable electron gun capable of generating a variable intensity electron pulse containing between 102 and 105 electrons with an accelerating voltage of 1kV focused into a spot size <100nm in diameter at with a pulse rate >10MHz (with path to 300MHz). This combined performance cannot be achieved by commercially available electron sources. The primary technology path selected for this work will be to use a photocathode approach, where an easily modulated UV laser is used to stimulate electron emission. The approach utilizes the advances made in the development of the Dynamic TEM (DTEM), though this project will be simpler in that the pulse intensity is lower and there is no requirement for coherency. Alternate paths, including using a traditional electron beam modulated using a v-shaped slit and electrostatically deflecting the beam to adjust intensity; will also be considered for future capabilities. The electron source will then be used generate optically stimulated luminescence (OSL) in lithium fluoride (LiF) substrates to demonstrate the potential for OSL to serve as a basis technology for next generation data storage systems.

42 ENGINEERING↗

DOE OSTI2024

Optically Stimulated Luminescence Data Storage (Abstract)

42 ENGINEERING↗

DOE OSTI2016

Low charge state heavy ion production with sub-nanosecond laser

We have investigated laser ablation plasma of various species using nanosecond and sub-nanosecond lasers for both high and low charge state ion productions. We found that with sub-nanosecond laser, the generated plasma has a long tail which has low charge state ions determined by an electrostatic ion analyzer even under the laser irradiation condition for highly charged ion production. This can be caused by insufficient laser absorption in plasma plume. This property might be suitable for low charge state ion production. We used a nanosecond laser and a sub-nanosecond laser for low charge state ion production to investigate the difference of generated plasma using the Zirconium target.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS2018

3D Simulations of Ion Thruster Accelerator Grid Erosion Accounting for Charge Exchange Ion Space Charge

Accelerator (accel) grid sputtering by ions formed through charge-exchange (CEX) reactions between beam ions and residual neutral gas is a critical life-limiting mechanism for gridded ion thrusters. The three-dimensional ion optics code CEX3D is designed to simulate this grid erosion for a single beamlet, with a particular emphasis on non-axisymmetric features such as the "pits and grooves" erosion commonly observed on the accel grid downstream face in two-grid thrusters. The treatment of CEX ions in the code was recently upgraded with a new particle-in-cell (PIC) module to account for the influence of these ions' space charge on the electrostatic potential downstream of the grids. In order to achieve reasonable computation times while resolving the Debye length near the grids and avoiding gross violations of the Courant-Friedrichs-Lewy (CFL) condition, macroparticle velocities in the PIC calculation are limited through a rescaling procedure that preserves ion trajectories and space charge density. The code accounts for beam divergence, finite momentum transfer in CEX collisions, and radial losses of CEX ions from the beam; these effects are important for determining the CEX ion flux to the accel grid because the calculated potential downstream of the grids can become very flat. The upgraded code has been used to simulate operation of NASA's Evolutionary Xenon Thruster (NEXT) during the 51 kHr Long Duration Test - a selection of results is presented and compared with experimental data.

Chaplin, Vernon H.↗