Thermal plasma measurements within the magnetosphere.
Thermal plasma measurements in magnetosphere for electron and ion density and thermal profiles, noting Maxwell energy distribution and charge neutrality
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Thermal plasma measurements in magnetosphere for electron and ion density and thermal profiles, noting Maxwell energy distribution and charge neutrality
Quantitative simulation of trivalent ƒ-block chelates in water remains challenging because bonded and non-bonded force-field models make different approximations for coordination structure, exchange dynamics, and ion–ligand interactions in highly charged systems. Here, we develop a hybrid machine-learning/molecular-mechanics (ML/MM) framework for Ac 3+ –DOTA in explicit solvent by training an E(3)-equivariant neural network potential (MACELES) on mechanically embedded QM/MM data for Ac aquo and Ac–DOTA species and coupling it to NAMD 2.14 with particle-mesh Ewald electrostatics. Nanosecond ML/MM trajectories remain numerically stable and preserve chelate integrity, yielding a compact DOTA inner shell with an inner-sphere water coordination number of CN Ac,O w ≈ 1.7 arising from a dynamic equilibrium between one- and two-water states (37.5% and 59.9% of frames; three waters 2.5%). A 5 ns potential of mean force shows two low-lying basins at CN Ac,O w ≈ 1 and CN Ac,O w ≈ 2. DFT end-state free energies are consistent with the ML/MM profile, and DFT minimum-energy paths provide a qualitative electronic-structure reference for the observed basin connectivity. State-resolved kinetics reveal picosecond water-exchange pathways that couple hydration changes to transient DOTA arm fluctuations, and training-set comparisons show that temperature-matched Ac–DOTA data optimize energy/force accuracy while more diverse solvated data improve charge prediction. Overall, the present hybrid ML/MM model provides a practical description of Ac 3+ –DOTA hydration thermodynamics and short-time exchange behavior in explicit water at MD-like cost.
Measurements of the precipitation of electrons and positive ions (in the keV to MeV range) detected aboard eight rockets launched from Northern Scandinavia are reported together with corresponding satellite data. The downgoing integral fluxes indicate the temporal fluctuations during each flight. Height profiles of the energy deposition into the atmosphere at different levels of geomagnetic disturbance are given.
We report on two NuSTAR observations of the high-mass X-ray binary A 0535+26 taken toward the end of its normal 2015 outburst at very low 3-50 keV luminosities of approximately 1.4 times x 10 (sup 36) ergs per second and approximately 5 times x 10 (sup 35) ergs per second, which are complemented by nine Swift observations. The data clearly confirm indications seen in earlier data that the source's spectral shape softens as it becomes fainter. The smooth exponential rollover at high energies seen in the first observation evolves to a much more abrupt steepening of the spectrum at 20-30 keV. The continuum evolution can be nicely described with emission from a magnetized accretion column, modeled using the compmag model modified by an additional Gaussian emission component for the fainter observation. Between the two observations, the optical depth changes from 0.75 plus or minus 0.04 to 0.56 plus 0.01 (sup) minus 0.04 (sub), the electron temperature remains constant, and there is an indication that the column decreases in radius. Since the energy-resolved pulse profiles remain virtually unchanged in shape between the two observations, the emission properties of the accretion column reflect the same accretion regime. This conclusion is also confirmed by our result that the energy of the cyclotron resonant scattering feature (CRSF) at approximately 45 keV is independent of the luminosity, implying that the magnetic field in the region in which the observed radiation is produced is the same in both observations. Finally, we also constrain the evolution of the continuum parameters with the rotational phase of the neutron star. The width of the CRSF could only be constrained for the brighter observation. Based on Monte Carlo simulations of CRSF formation in single accretion columns, its pulse phase dependence supports a simplified fan beam emission pattern. The evolution of the CRSF width is very similar to that of the CRSF depth, which is, however, in disagreement with expectations.
A new transport equation for the intermittency factor was proposed to predict separated and transitional boundary layers under low-pressure turbine airfoil conditions. The intermittent behavior of the transitional flows is taken into account and incorporated into computations by modifying the eddy viscosity, mu(sub t), with the intermittency factor, gamma. Turbulent quantities are predicted by using Menter's two-equation turbulence model (SST). The intermittency factor is obtained from a transport equation model, which not only can reproduce the experimentally observed streamwise variation of the intermittency in the transition zone, but also can provide a realistic cross-stream variation of the intermittency profile. In this paper, the intermittency model is used to predict a recent separated and transitional boundary layer experiment under low pressure turbine airfoil conditions. The experiment provides detailed measurements of velocity, turbulent kinetic energy and intermittency profiles for a number of Reynolds numbers and freestream turbulent intensity conditions and is suitable for validation purposes. Detailed comparisons of computational results with experimental data are presented and good agreements between the experiments and predictions are obtained.
A new transport equation for the intermittency factor was proposed to predict separated and transitional boundary layers under low-pressure turbine airfoil conditions. The intermittent behavior of the transitional flows is taken into account and incorporated into computations by modifying the eddy viscosity, t , with the intermittency factor, y. Turbulent quantities are predicted by using Menter s two-equation turbulence model (SST). The intermittency factor is obtained from a transport equation model, which not only can reproduce the experimentally observed streamwise variation of the intermittency in the transition zone, but also can provide a realistic cross-stream variation of the intermittency profile. In this paper, the intermittency model is used to predict a recent separated and transitional boundary layer experiment under low pressure turbine airfoil conditions. The experiment provides detailed measurements of velocity, turbulent kinetic energy and intermittency profiles for a number of Reynolds numbers and freestream turbulent intensity conditions and is suitable for validation purposes. Detailed comparisons of computational results with experimental data are presented and good agreements between the experiments and predictions are obtained.
Electrochemical ocean alkalinity enhancement is a form of marine carbon dioxide removal, a rapidly growing industry that is powered by efficient onshore or offshore energy sources. As more and larger deployments are being planned, it is important to consider how variable energy sources like tidal energy can impact plant performance and costs. An open-source Python-based generalizable model for electrodialysis-based ocean alkalinity enhancement has been developed that can capture key system-level insights of the electrochemistry, ocean chemistry, acid disposal, and co-product creation of these plants under various conditions. The model additionally accounts for hybrid energy system performance profiles and costs via the National Laboratory of the Rockies’ H2Integrate tool. The model was used to analyze an example theoretical plant deployment in North Admiralty Inlet, including how the plant is impacted by the available energy sources in the region and the scale at which plant costs are covered by the co-products it generates, such as recycled concrete aggregates, without requiring carbon credits. The results show that the example plant could be profitable without carbon credits at commercial scales of 100,000 to 1 million tons of carbon dioxide removal per year, so long as it uses low-cost electricity sources and either sells acid or recovers recycled concrete aggregates with about 1 molar acid concentrations, though more research is needed to confirm these results.
Simultaneous solar proton flux measurements on IMP 7 and by the world wide neutron monitor network during the May 7, 1978 flare event led to conclusions that in the energy range from 50 MeV to 10 GeV: (1) the propagation of the flare particles in the interplanetary magnetic field (IMF) between the Sun and the Earth was nearly scatter free; and (2) therefore, the intensity time (IT) profiles of the solar proton fluxes observed at Earth for about one hour after onset represent the solar injection profiles even to energies as low as 50 MeV. Observations of the IMF at Helios A indicate that the IMF was undisturbed between the Sun and Helios A at the time of the May 7, 1978 flare event; and, therefore, the solar particle propagation was also scatter free from the Sun to Helios A.
A summary of measurements of the precipitation of electrons and positive ions (in the keV-MeV range) detected aboard eight rockets launched within the Energy Budget Campaign from Northern Scandinavia is given, together with corresponding satellite data. In some cases strong temporal variations of the downgoing integral fluxes were observed. The fluxes provide the background for the calculated ion production rates and altitude profiles of the energy deposition into the atmosphere at different levels of geomagnetic disturbance and cosmic noise absorption. The derived ion production rates by eneretic particles are compared to other night-time ionisation sources.
The observed kinetic energy balance is calculated over North America and compared with that computed from forecast fields for the 13-15 January 1979 cyclone. The FGGE upper-air rawinsonde network serves as the observational database while the forecast energetics are derived from a numerical integration with the GLAS fourth-order general circulation model initialized at 00 GMT 13 January. Maps of the observed and predicted kinetic energy and eddy conversion are in good qualitative agreement, although the model eddy conversion tends to be 2 to 3 times stronger than the observed values. Both the forecast and observations exhibit the lower and upper tropospheric maxima in vertical profiles of kinetic energy generation and dissipation typically found in cyclonic disturbances. An interesting time lag is noted in the observational analysis with the maximum observed kinetic energy occurring 12 h later than the maximum eddy conversion over the same region.
The multipurpose airborne DIAL system developed at NASA Langley Research Center is characterized, and the published results of tropospheric O3, H2O, and aerosol-backscatter remote-sensing experiments performed in 1980 and 1981 are summarized. The system comprises two tunable dye lasers pumped by frequency-doubled Nd:YAG lasers, dielectric-coated steering optics, a 36-cm-diameter Cassegrain receiver telescope, gateable photomultiplier tubes, and a minicomputer data-processing unit for real-time calculation of gas concentrations and backscattering profiles. The transmitted energy of the 100-microsec-separated dye-laser pulses is 40, 80, or 50 mJ/pulse at around 300, 600, or 720-nm wavelength, respectively. Good agreement was found between DIAL-remote-sensed and in-situ H2O and O3 profiles of the lower troposphere and O3 profiles of the tropopause region, and the usefulness of DIAL backscattering measurements in the study of boundary-layer and tropospheric dynamics is demonstrated. The feasibility of DIAL sensing of power-plant or urban plume SO2, of urban-area (or rural-area column-content) NO2, and of temperature and H2O (simultaneously using a third laser) has been suggested by simulation studies.
Energetic proton and electron measurements by the ongoing Cassini orbiter mission are expanding our knowledge of the highest energy components of the Saturn magnetosphere in the inner radiation belt region after the initial discoveries of these belts by the Pioneer 11 and Voyager 2 missions. Saturn has a neutron exosphere that extends throughout the magnetosphere from the cosmic ray albedo neutron source at the planetary main rings and atmosphere. The neutrons emitted from these sources at energies respectively above 4 and 8 eV escape the Saturn system, while those at lower energies are gravitationally bound. The neutrons undergo beta decay in average times of about 1000 seconds to provide distributed sources of protons and electrons throughout Saturn's magnetosphere with highest injection rates close to the Saturn and ring sources. The competing radiation belt source for energetic electrons is rapid inward diffusion and acceleration of electrons from the middle magnetosphere and beyond. Minimal losses during diffusive transport across the moon orbits, e.g. of Mimas and Enceladus, and local time asymmetries in electron intensity, suggest that drift resonance effects preferentially boost the diffusion rates of electrons from both sources. Energy dependences of longitudinal gradient-curvature drift speeds relative to the icy moons are likely responsible for hemispheric differences (e.g., Mimas, Tethys) in composition and thermal properties as at least partly produced by radiolytic processes. A continuing mystery is the similar radial profiles of lower energy (<10 MeV) protons in the inner belt region. Either the source of these lower energy protons is also neutron decay, but perhaps alternatively from atmospheric albedo, or else all protons from diverse distributed sources are similarly affected by losses at the moon' orbits, e.g. because the proton diffusion rates are extremely low. Enceladus cryovolcanism, and radiolytic processing elsewhere on the icy moon and ring surfaces, are additional sources of protons via ionization and charge exchange from breakup of water molecules. But one must then account somehow for local acceleration to the observed keV-MeV energies, since moon sweeping and E-ring absorption would remove protons diffusing inward from the middle magnetosphere. Although the main rings block further inward diffusion from the inner radiation belts, the exospheric neutron-decay source, combined with much slower diffusion of protons relative to electrons, may produce an innermost radiation belt in the gap between the upper atmosphere and the D-ring. This innermost belt will first be explored in-situ during the final proximal orbits of the Cassini mission.
We propose that radiation-supported scattering atmospheres near accreting X-ray pulsars (XRPs) can explain energy-dependent features observed in the pulse profiles of 4U 1626-67, 4U 1538-52, 4U 1907+09 and Vela X-1. These atmospheres provide a physical model for the phenomenological annular emitting regions employed by Leahy to fit X-ray pulsar pulse profiles. We examine the effects of the scattering atmospheres under the assumptions that stable, optically thick atmospheres exist in a region where the optically thin resonant radiation force exceeds the force of gravity on ionized hydrogen. We predict that less complex pulse profiles will be observed at higher photon energies because the scattering atmospheres, which are supported by resonant Compton radiation pressure, become transparent to photons with energies greater than the cyclotron energy at the neutron star surface.
We report a method was developed to quantify the spatial distribution and implantation depth of energy-degraded light ions with a thin foil rotating energy degrader for use during multiple ion beam irradiation. The methodology covers three physical phenomena: ions passing through the thin foil, ions travelling through the vacuum to the target, and ion implantation into the target, and accounts for the distribution of ions both in depth and in plane. The processes of energy straggling and scattering were calculated using SRIM. The effects of raster-scanning, and the geometry of the system were implemented in scripts handling the SRIM output files. Elastic backscattering (EBS) using 2.38 MeV H+ protons was used to measure the helium depth profiles after implantation with and without thin foil energy degradation. Defect analysis with transmission electron microscopy confirmed the implantation profiles measured with EBS and calculated with SRIM.
Point defects directly impact solar cell device performance by limiting the carrier lifetime. In this work, density functional theory calculations are first used to determine the formation energy and diffusion energy barriers of dominant defects in Cu(In,Ga)Se 2 . Next, continuum reaction–diffusion models are developed to analyze the redistribution of defects during manufacturing processes. We estimate defect capture cross sections using a first-principles-based approach. Here, these cross sections are combined with our calculated defect profiles and trap energy levels to parameterize a Shockley–Read–Hall recombination model, which we implement into a device simulator to predict carrier lifetimes and device performance. In that way, a predictive technology computer aided design model is built to predict and optimize the performance of Cu(In,Ga)Se 2 solar cells.
An energetics analysis scheme was developed to compare the observed kinetic energy balance over North America with that derived from forecast fields of the GLAS fourth order model for the 13 to 15 January 1979 cyclone case. It is found that: (1) the observed and predicted kinetic energy and eddy conversion are in good qualitative agreement, although the model eddy conversion tends to be 2 to 3 times stronger than the observed values. The eddy conversion which is stronger in the 12 h forecast than in observations and may be due to several factors is studied; (2) vertical profiles of kinetic energy generation and dissipation exhibit lower and upper tropospheric maxima in both the forecast and observations; (3) a lag in the observational analysis with the maximum in the observed kinetic energy occurring at 0000 GMT 14 January over the same region as the maximum ddy conversion 12 h earlier is noted.