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At least 181 records · Page 10

Ionic charge state distribution of helium, carbon, oxygen, and iron in an energetic storm particle enhancement

An analysis is presented of the ionic charge state distribution of He, C, O and Fe in the energetic storm particle event of September 28-29, 1978. Data were obtained with the ULEZEQ electrostatic analyzer-proportional counter on board the ISEE 3 spacecraft. The He(+)/He(++) ratio between 0.4 and 1 MeV/n is shown to be significantly lower during the energetic storm particle event than during the preceding period of solar flare particle enhancement, with a temporal evolution similar to that of the Fe/He ratio as reported by Klecker et al. (1981). Increases in the mean charge state for oxygen by about 3% and for iron by about 16% are also noted. The temporal variations in charge states are accounted for in terms of first-order Fermi acceleration of the pre-existing solar flare particles by a propagating interplanetary shock wave.

Hovestadt, D.↗

The Giotto electron plasma experiment

The RPA-Copernic experiment aboard Giotto is described. The experiment is designed to measure the three-dimensional distributions of electrons between 10 eV and 30 keV (by the RPA-1 EESA spectrometer) and the composition and distribution, close to the comet, of thermal positive ions in the mass range 10-213 amu (by the RPA-2 PICCA electrostatic mass analyzer). Three microprocessors interface RPA-1 EESA with RPA-2 PICCA and with the spacecraft and perform extensive onboard data processing. The experiment was operated successfully aboard the spacecraft in September 1985 during the encounter of Giotto with the comet Halley. The results provided by the EESA-1 indicate that the solar wind interaction with the comet Halley forms a well-defined bow shock with features quite different from the features of the comet Giacobini-Zinner bow shock; the data also showed a presence of accelerated keV electrons at the cometary bow shock, upstream and in the transition region.

Reme, H.↗

Effects of Neutral Density on Energetic Ions Produced Near High-Current Hollow Cathodes

Energy distributions of ion current from high-current, xenon hollow cathodes, which are essential information to understand erosion phenomena observed in high-power ion thrusters, were obtained using an electrostatic energy analyzer (ESA). The effects of ambient pressure and external flow rate introduced immediately downstream of hollow cathode on ion currents with energies greater than that associated with the cathode-to-anode potential difference were investigated. The results were analyzed to determine the changes in the magnitudes of ion currents to the ESA at various energies. Either increasing the ambient pressure or adding external flow induces an increase in the distribution of ion currents with moderate energies (epsilon less than 25 to 35 eV) and a decrease in the distribution for high energies (epsilon greater than 25 to 35 eV). The magnitude of the current distribution increase in the moderate energy range is greater for a cathode equipped with a toroidal keeper than for one without a keeper, but the distribution in the high energy range does not seem to be affected by a keeper. An MHD model, which has been proposed to describe energetic-ion production mechanism in hollow cathode at high discharge currents, was developed to describe these effects. The results show, however, that this model involves no mechanism by which a significant increase of ion current could occur at any energy. It was found, on the other hand, that the potential-hill model of energetic ion production, which assumes existence of a local maximum of plasma potential, could explain combined increases in the currents of ions with moderate energies and decreases in high energy ions due to increased neutral atom density using a charge-exchange mechanism. The existing, simplified version of the potential-hill model, however, shows poor quantitative agreement with measured ion-current-energy-distribution changes induced by neutral density changes.

Kameyama, Ikuya↗

Characterization of Downstream Ion Energy Distributions From a High Current Hollow Cathode in a Ring Cusp Discharge Chamber

The presence of energetic ions produced by a hollow cathodes operating at high emission currents (greater than 10 Angstroms) has been documented in the literature. As part of an ongoing effort to uncover the underlying physics of the formation of these ions, ion efflux from a high current hollow cathode operating in an ion thruster discharge chamber was investigated. Using a spherical sector electrostatic energy analyzer located downstream of the discharge cathode, the ion energy distribution over a 0 to 60 eV energy range was measured. The sensitivity of the ion energy distribution function to zenith angle was also assessed at 3 different positions: 0, 15, and 25 degrees. The measurements suggest that the majority of the ion current at the measuring point falls into the analyzer with an energy approximately equal to the discharge voltage. The ion distribution, however, was found to be quite broad. The high energy tail of the distribution function tended to grow with increasing discharge current. Sensitivity of the profiles to flow rate at fixed discharge current was also investigated. A simple model is presented that provides a potential mechanism for the production of ions with energies above the discharge voltage.

Foster, John E.↗

VISIONS: Remote Observations of a Spatially-Structured Filamentary Source of Energetic Neutral Atoms near the Polar Cap Boundary During an Auroral Substorm

We report initial results from the VISualizing Ion Outflow via Neutral atom imaging during a Substorm (VISIONS) rocket that flew through and near several regions of enhanced auroral activity and also sensed regions of ion outflow both remotely and directly. The observed neutral atom fluxes were largest at the lower energies and generally higher in the auroral zone than in the polar cap. In this paper, we focus on data from the latter half of the VISIONS trajectory when the rocket traversed the polar cap region. During this period, many of the energetic neutral atom spectra show a peak at 100 electronvolts. Spectra with peaks around 100 electronvolts are also observed in the Electrostatic Ion Analyzer (EIA) data consistent with these ions comprising the source population for the energetic neutral atoms. The EIA observations of this low energy population extend only over a few tens of kilometers. Furthermore, the directionality of the arriving energetic neutral atoms is consistent with either this spatially localized source of energetic ions extending from as low as about 300 kilometers up to above 600 kilometers or a larger source of energetic ions to the southwest.

Polar Cap↗

NASA charging analyzer program: A computer tool that can evaluate electrostatic contamination

A computer code, the NASA Charging Analyzer Program (NASCAP), was developed to study the surface charging of bodies subjected to geomagnetic substorm conditions. This program will treat the material properties of a surface in a self-consistent manner and calculate the electric fields in space due to the surface charge. Trajectories of charged particles in this electric field can be computed to determine if these particles enhance surface contamination. A preliminary model of the Spacecraft Charging At The High Altitudes (SCATHA) satellite was developed in the NASCAP code and subjected to a geomagnetic substorm environment to investigate the possibility of electrostatic contamination. The results indicate that differential voltages will exist between the spacecraft ground surfaces and the insulator surfaces. The electric fields from this differential charging can enhance the contamination of spacecraft surfaces.

Stevens, N. J.↗

Spacecraft Electrostatic Radiation Shielding

This project analyzed the feasibility of placing an electrostatic field around a spacecraft to provide a shield against radiation. The concept was originally proposed in the 1960s and tested on a spacecraft by the Soviet Union in the 1970s. Such tests and analyses showed that this concept is not only feasible but operational. The problem though is that most of this work was aimed at protection from 10- to 100-MeV radiation. We now appreciate that the real problem is 1- to 2-GeV radiation. So, the question is one of scaling, in both energy and size. Can electrostatic shielding be made to work at these high energy levels and can it protect an entire vehicle? After significant analysis and consideration, an electrostatic shield configuration was proposed. The selected architecture was a torus, charged to a high negative voltage, surrounding the vehicle, and a set of positively charged spheres. Van de Graaff generators were proposed as the mechanism to move charge from the vehicle to the torus to generate the fields necessary to protect the spacecraft. This design minimized complexity, residual charge, and structural forces and resolved several concerns raised during the internal critical review. But, it still is not clear if such a system is costeffective or feasible, even though several studies have indicated usefulness for radiation protection at energies lower than that of the galactic cosmic rays. Constructing such a system will require power supplies that can generate voltages 10 times that of the state of the art. Of more concern is the difficulty of maintaining the proper net charge on the entire structure and ensuring that its interaction with solar wind will not cause rapid discharge. Yet, if these concerns can be resolved, such a scheme may provide significant radiation shielding to future vehicles, without the excessive weight or complexity of other active shielding techniques.

Source record↗

Controlling Charged Particles with Inhomogeneous Electrostatic Fields

An energy analyzer for a charged-particle spectrometer may include a top deflection plate and a bottom deflection plate. The top and bottom deflection plates may be non-symmetric and configured to generate an inhomogeneous electrostatic field when a voltage is applied to one of the top or bottom deflection plates. In some instances, the top and bottom deflection plates may be L-shaped deflection plates.

Herrero, Federico A.↗

Galactic heavy-ion shielding using electrostatic fields

The shielding of spacecraft against galactic heavy ions, particularly high-energy Fe(56) nuclei, by electrostatic fields is analyzed for an arrangement of spherical concentric shells. Vacuum breakdown considerations are found to limit the minimum radii of the spheres to over 100 m. This limitation makes it impractical to use the fields for shielding small spacecraft. The voltages necessary to repel these Fe(56) nuclei exceed present electrostatic generating capabilities by over 2 orders of magnitude and render the concept useless as an alternative to traditional bulk-material shielding methods.

Townsend, L. W.↗

pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis

We introduce pyEF, a software package for computing molecular electric fields, electrostatic interaction energies, and electrostatic potentials from quantum mechanical (QM) atom-centered multipole expansions with atom-wise decomposable contributions. We demonstrate the computational efficiency and accuracy of this QM-derived electric field evaluation tool through several tests. To assess the influence of the underlying QM method and charge partitioning scheme on these electrostatic quantities, we analyze over 250 configurations of an acetone solute molecule in five solvents of variable polarity. We find that electric field calculations are highly sensitive to the choice of charge partitioning method. Even among real-space charge schemes, acetone Stark tuning rates differ by up to a factor of 2. Benchmarking computed solvent dipole moments against experimental bulk values, we conclude that the CM5, ADCH, and Hirshfeld-I charge schemes most reliably capture solvent electrostatics and therefore provide a more faithful foundation for computing electric fields. When constructed from these real-space charges, electric fields are nearly insensitive to basis set size and monotonically increase in magnitude with higher Fock exchange. We also demonstrate efficient convergence of QM electrostatics when more distant molecules are represented solely by MM point charges, reducing computational overhead. Leveraging these findings, we demonstrate the use of pyEF to deduce environmental effects on a transition metal complex from a Ga 4 L 6 12– nanocage and quantify the dominant role of organic linkers in orchestrating electrostatic preorganization.

electric fields↗

NASA Charging Analyzer Program - A computer tool that can evaluate electrostatic contamination

The data from the ATS-5 and -6 Auroral Particles Experiments have shown that the environment at geosynchronous orbit can charge spacecraft surfaces to appreciable negative values. Such surface charges could have undesirable effects on satellite equipment and the data obtained in satellite experiments. A computer program, the NASA Charging Analyzer Program (NASCAP), has, in this connection, been developed to determine the surface charging of spacecraft when encountering geomagnetic substorm conditions. Once a model of a spacecraft has been developed in the NASCAP code, the surface charging can be computed for any environmental input flux. On the basis of the obtained information regarding the surface charging, charged particle trajectories can be computed to determine if it is possible for a particle to return to a satellite surface. It is pointed out that the computer runs conducted with the NASCAP code represent the first attempts to use a self-consistent program to study the behavior of spacecraft surfaces experiencing a geomagnetic substorm condition.

Stevens, N. J.↗

Steady-state hot-ion plasma produced by crossed electric and magnetic fields

Results of initial diagnostics on the Lewis Research Center hot-ion-plasma source (HIP-1) are reported. The mirror-contained plasma was heated by applying a radial electric field similar to that used in the ORNL burnout experiments. An electrostatic neutral particle analyzer was used to make a parametric study of ion energy distributions in both hydrogen and euterium plasmas. Ion temperatures as high as 2 keV were measured in plasmas with electron densities greater than 10 to 12th power/cu cm. The performance of the device was found to be extremely sensitive to a magnetic field. There are indications that ion heating was reduced when the size of the Larmor orbit was larger than the region of a strong radial electric field.

Sigman, D. R.↗

Intensity Oscillation of Low Energy Solar Particles Observed on the IMP 7 Satellite

Solar flare particles in the energy range from 125 to 160 KeV per charge were detected and analyzed by an electrostatic deflection vs. energy instrument on board the Explorer 47 (IMP 7) satellite. A harmonic analysis of the counting rates shows that frequently, the fluctuation of the particle flux can be approximately represented by N(t) = f(t)sin 2 pi nu t where f(t) is a smoothly varying function of t. The oscillation frequency nu varies from flare to flare and is of the order of 2 x .001/sec. The physical implications of the finding are discussed.

Fan, C. Y.↗

Intensity oscillation of low energy solar particles observed on the IMP 7 satellite

Solar flare particles in the energy range from 125 to 160 KeV per charge were detected and analyzed by an electrostatic deflection vs energy instrument on board the Explorer 47 (IMP 7) satellite. On the basis of a harmonic analysis of the counting rates, an approximating formula is obtained for the fluctuation of the particle flux. The oscillation frequency varies from flare to flare and is of the order of approximately .002 per sec. The physical implications of the finding are discussed.

Fan, C. Y.↗

Non-symmetric two-stream instability

A theoretical investigation is performed concerning the instability spectrum of quasi-electrostatic waves at shifted half-odd-integer values of the cyclotron frequency due to nonsymmetric counterstreaming electron beams. The beam velocities parallel and perpendicular to the static magnetic field are represented by double Dirac delta functions with no imposition of parameter limitations. Systematic consideration is given to the coupling between plasma modes and cyclotron modes as well as the coupling between cyclotron modes of the two beams that result in shifted half-odd-integer multiples of the cyclotron frequency. The general dispersion equation for quasi-electrostatic waves is analyzed, and plasma-cyclotron coupling in the nonsymmetric case is treated by deriving approximate analytical expressions for maximum growth rates and marginal stability. Exact numerical solutions in both frequency and wavenumber space are obtained and compared with the analytical expressions. Cyclotron-cyclotron coupling modes are treated in the same way, and the results for both types of coupling are compared. It is found that certain modes may be weakened or completely suppressed when the Bessel functions for specific plasma parameters vanish.

Cuperman, S.↗

The kinetic energy spectrum of protons produced by the dissociative ionization of H2 by electron impact

The kinetic energy spectra of protons resulting from the dissociative ionization of H2 by electron impact have been measured for electron impact energies from threshold (approximately 17 eV) to 160 eV at 90 deg and 30 deg detection angles, using a crossed-beam experimental arrangement. To check reliability, two separate proton energy analysis methods have been employed, i.e., a time-of-flight proton energy analysis and an electrostatic hemispherical energy analyzer. The present results are compared with previous measurements.

Khakoo, M. A.↗

High-flux source of low-energy neutral beams using reflection of ions from metals

Reflection of low-energy ions from surfaces can be applied as a method of producing high-flux beams of low-energy neutral particles, and is an important effect in several areas of plasma technology, such as in the edge region of fusion devices. We have developed a beam source based on acceleration and reflection of ions from a magnetically confined coaxial RF plasma source. The beam provides a large enough flux to allow the energy distribution of the reflected neutrals to be measured despite the inefficiency of detection, by means of an electrostatic cylindrical mirror analyzer coupled with a quadrupole mass spectrometer. Energy distributions have been measured for oxygen, nitrogen, and inert gas ions incident with from 15 to 70 eV reflected from amorphous metal surfaces of several compositions. For ions of lighter atomic mass than the reflecting metal, reflected beams have peaked energy distributions; beams with the peak at 4-32 eV have been measured. The energy and mass dependences of the energy distributions as well as measurements of absolute flux, and angular distribution and divergence are reported. Applications of the neutral beams produced are described.

Cuthbertson, John W.↗

NbZr_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys niobium-zirconium (Nb-Zr). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach \cite{PAW}. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Nb and Zr. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect bcc lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,100 randomized atomic structures over 31 chemical compositions. The calculations have been collected on NERSC-Perlmutter and OLCF-Summit using the VASP 6.3.2. The VASP calculations for every atomic structure have been performed in 2 main steps: 1. Starting from an ideal body-centered-cubic (BCC) structure, geometry optimization with low precision has been executed to perform a preliminary optimization of the atomic structure. The output for this calculations is available in the files 0.CONTCAR, 0.OUTCAR, rlx1.out. 2. Using the atomic structure resulting from the preliminary geometry optimization, a second geometry optimization has been performed using normal precision. The output for this calculations is available in the files CONTCAR, OUTCAR, rlx2.out, vaspout.h5, and vasprun.xml. Cases 1-10 have been run without generating the file 'vaspout.h5'. Every chemical composition sampled across the composition range in the dataset has its own directory. The convention used to name the directories for binary alloys is AXBY, where A and B refer to the constituents, whereas X and Y are positive integers that represent the number of atoms for each constituent and their values still sum up to 128. Each atomic structure associated with a specific chemical composition has its own sub-directory within the directory of the corresponding chemical composition. The sub-directories for each atomic structure for each chemical composition are named 'case-*', where * is a positive integer that spans all the values from 1 through 100, extremes included. The files contained in each sub-directory 'case-*' for each atomic structure are as follows: FILES contained in each subdirectory with name "case-N" where N ranges between 11 and 100, extremes included: 1. INCAR: input file that contains various parameters and settings for controlling the behavior of the electronic structure calculations 2. KPOINTS: input file that specifies the Bloch vectors (k points) used to sample the Brillouin zone 3. 0.POSCAR: input file that defines the atomic structure of a system 4. 0.CONTCAR: output file that provides the atomic positions and cell parameters after the first geometry optimization has been run with the precision variable set to PREC=Low in the INCAR file 5. 0.OUTCAR: output file that contains detailed information about the progress of a calculation after the first geometry optimization has been run with the precision variable set to PREC=Low in the INCAR file 6. rlx1.out: file with diagnostic information about the execution of the first geometry optimization with precision variable set to PREC=Low in the INCAR file 7. POSCAR: input file that defines the atomic structure of a system after the first geometry optimization has been run at low precision. This represents the input for the second geometry optimization run with the precision variable set to PREC=Normal in the INCAR file 8. CONTCAR: output file that provides the atomic positions and cell parameters after the second geometry optimization has been run with the precision variable set to PREC=Normal in the INCAR file 9. OUTCAR: output file that contains detailed information about the progress of a calculation after the second geometry optimization has been run with the precision variable set to PREC=Normal in the INCAR file 10. rlx2.out: file with diagnostic information about the execution of the second geometry optimization with precision variable set to PREC=Normal in the INCAR file 11. vaspout.h5: hierarchical HDF5 file containing the inputs and outputs of a VASP calculation. To analyze the data in this file we recommend using py4vasp. This file is only produced if the VASP version used is compiled with HDF5 support 12. vasprun.xml: contains similar information to OUTCAR, but in an xml format. 13. CHGCAR: contains the charge density data of a system. This data is crucial for analyzing electronic structures, calculating electrostatic potential, and studying the distribution of charge in a crystal or molecular system FILES contained in each subdirectory with name "case-N" where N ranges between 1 and 10, extremes included: 1. INCAR: input file that contains various parameters and settings for controlling the behavior of the electronic structure calculations 2. KPOINTS: input file that specifies the Bloch vectors (k points) used to sample the Brillouin zone 3. {ID}.POSCAR: input file that defines the atomic structure of a system at the beginning of ID execution of geometry optimization with PREC=LOW 4. {ID}.CONTCAR: output file that provides the atomic positions and cell parameters at the end of ID execution of geometry optimization with PREC=LOW in the INCAR file 5. {ID}.OUTCAR: output file that contains detailed information about the progress of a calculation after the ID execution of geometry optimization that has been run with the precision variable set to PREC=Low in the INCAR file 6. rlx1.{ID}.out: file with diagnostic information about the execution of the ID execution of the geometry optimization with precision variable set to PREC=Low in the INCAR file 7. N{ID}.POSCAR: input file that defines the atomic structure of a system after the geometry optimization run at low precision. This represents the input for the ID execution of the second geometry optimization run with the precision variable set to PREC=Normal in the INCAR file 8. N{ID}.CONTCAR: output file that provides the atomic positions and cell parameters after the ID execution of the geometry optimization run with the precision variable set to PREC=Normal in the INCAR file 9. N{ID}.OUTCAR: output file that contains detailed information about the progress of a calculation after the ID execution of the geometry optimization run with the precision variable set to PREC=Normal in the INCAR file 10. rlx2.{ID}.out: file with diagnostic information about the ID execution of geometry optimization with precision variable set to PREC=Normal in the INCAR file 11. vaspout.h5: hierarchical HDF5 file containing the inputs and outputs of a VASP calculation. To analyze the data in this file we recommend using py4vasp. This file is only produced if the VASP version used is compiled with HDF5 support 12. vasprun.xml: contains similar information to OUTCAR, but in an xml format. 13. CHGCAR: contains the charge density data of a system. This data is crucial for analyzing electronic structures, calculating electrostatic potential, and studying the distribution of charge in a crystal or molecular system This research is sponsored by the Artificial Intelligence Initiative as part of the Laboratory Directed Research and Development (LDRD) Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy under contract DE-AC05-00OR22725. This work used resources of the Oak Ridge Leadership Computing Facility, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725, under Directorate Discretionary awards MAT025 (Materials Science) and LRN026 (Machine Learning), and INCITE award MAT201. This work also used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, under award ERCAP0025216. REFERENCES (1) Kresse, G. & Hafner, J. Ab initio molecular dynamics for liquid metals. Phys. review B 47, 558 (1993). (2) Kresse, G. & Hafner, J. Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium. Phys. Rev. B 49, 14251 (1994) (3) Kresse, G. & Furthmüller, J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput. materials science 6, 15–50 (1996) (4) Kresse, G. & Furthmüller, J. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. review B 54, 11169 (1996) (5) Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. review b 59, 1758 (1999)

36 MATERIALS SCIENCE↗