SEARCH · Engineering Papers
Results for “charging”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Ab Initio Study of Vibronic and Magnetic 5f-to-5f and Dipole-Allowed 5f-to-6d and Charge-Transfer Transitions in [UX 6 ] n – (X = Cl, Br; n = 1, 2)
The absorption spectra of the octahedral [UX 6 ] n– (X = Cl, Br; n = 1, 2) complexes in the near-infrared (NIR) and UV–vis spectral regions were studied theoretically, using a relativistic restricted active space second-order perturbation theory (RASPT2) wavefunction framework, with the spin–orbit (SO) coupling treated by state interaction, in conjunction with Kohn–Sham density functional theory calculations for determining the vibrational normal modes. The electric-dipole-allowed ligand-to-metal charge-transfer (LMCT) and 5f-to-6d transitions, and the electric-dipole-forbidden 5f-to-5f ligand field (LF) transitions, are thereby obtained within the same theoretical framework. For the 5f-to-5f LF transitions, the observed absorption intensity is mostly due to vibronic coupling with low-energy electric-dipole-allowed transitions, but in some cases, the magnetic dipole intensity of the purely electronic transition has comparable intensity to the vibronic transitions. Here, experimental LF spectra of 5f 2 open-shell systems have been reported decades back, but ab initio calculations of their vibronic intensity have not yet been reported in the literature. Although the LF spectra for the 5f 2 systems can be assigned in detail, based on the calculations, the spectra are very complex and the underlying electronic states are strongly multiconfigurational. Therefore, the usefulness of the LF spectra beyond serving as a “fingerprint” of the LF and the metal oxidation state appears to be limited.
Improving the Electrochemical Performance and Structural Stability of LiNi0.8Co0.15Al0.05O2 Cathode Material at High Voltage Charging through Ti Substitution
Explore the source record for details and available documents.
α-Particle Detection and Charge Transport Characteristics in the A 3 M 2 I 9 Defect Perovskites (A = Cs, Rb; M = Bi, Sb)
Here, we have investigated the defect perovskites A 3 M 2 I 9 (A = Cs, Rb; M = Bi, Sb) as materials for radiation detection. The phase purity of Bridgman-grown A 3 M 2 I 9 single crystals was confirmed via high-resolution synchrotron X-ray diffraction, while density functional theory calculations (DFT) show surprisingly dispersive bands in the out-of-plane direction for these layered materials, with low effective masses for both holes and electrons. Accordingly, each of the four A 3 M 2 I 9 defect perovskites showed response to 241 Am α-particle irradiation for hole and electron electrode configurations, a remarkable ambipolar response that resembles the 3D halide perovskites. The electron response spectra were used to estimate the mobility–lifetime product (μτ) e for electrons in these materials, with Rb 3 Bi 2 I 9 showing the lowest (μτ) e value of 1.7 × 10 – 6 cm 2 V –1 and Cs 3 Bi 2 I 9 the highest (μτ) e of 5.4 × 10 –5 cm 2 V –1 . The rise time of the α-particle-generated pulse was used to estimate the electron mobility μ e of the A 3 M 2 I 9 defect perovskites, which ranged from 0.32 cm 2 V –1 s–1 for Rb 3 Sb 2 I 9 to 4.3 cm 2 V –1 s –1 in Cs 3 Bi 2 I 9 . Similar analysis of the hole response spectra yielded (μτ) h values for each A 3 M 2 I 9 compound, with Cs 3 Bi 2 I 9 again showing the highest (μτ) h value of 1.8 × 10 –5 cm 2 V –1 , while Rb 3 Bi 2 I 9 showed the lowest (μτ) h with 2.0 × 10 –6 cm 2 V –1 . Rise time analysis gave hole mobilities ranging from 1.7 cm 2 V –1 s –1 for Cs 3 Bi 2 I 9 to 0.14 cm 2 V –1 s –1 for Cs 3 Sb 2 I 9 . Comparing the experimental electron and hole mobilities to the effective masses obtained from DFT calculations revealed sizable discrepancies, possibly indicating self-trapping of charge carriers due to electron–phonon interactions. The α-particle response of the A 3 M 2 I 9 defect perovskites demonstrates their potential as semiconductor radiation detectors, with Cs 3 Bi 2 I 9 and Cs 3 Sb 2 I 9 showing the most promise.
Air stable n-doping of WSe{sub 2} by silicon nitride thin films with tunable fixed charge density
Stable n-doping of WSe{sub 2} using thin films of SiN{sub x} deposited on the surface via plasma-enhanced chemical vapor deposition is presented. Positive fixed charge centers inside SiN{sub x} act to dope WSe{sub 2} thin flakes n-type via field-induced effect. The electron concentration in WSe{sub 2} can be well controlled up to the degenerate limit by simply adjusting the stoichiometry of the SiN{sub x} through deposition process parameters. For the high doping limit, the Schottky barrier width at the metal/WSe{sub 2} junction is significantly thinned, allowing for efficient electron injection via tunneling. Using this doping scheme, we demonstrate air-stable WSe{sub 2} n-MOSFETs with a mobility of ∼70 cm{sup 2}/V s.
Charge carrier transport properties in layer structured hexagonal boron nitride
Due to its large in-plane thermal conductivity, high temperature and chemical stability, large energy band gap (~ 6.4 eV), hexagonal boron nitride (hBN) has emerged as an important material for applications in deep ultraviolet photonic devices. Among the members of the III-nitride material system, hBN is the least studied and understood. The study of the electrical transport properties of hBN is of utmost importance with a view to realizing practical device applications. Wafer-scale hBN epilayers have been successfully synthesized by metal organic chemical deposition and their electrical transport properties have been probed by variable temperature Hall effect measurements. The results demonstrate that undoped hBN is a semiconductor exhibiting weak p-type at high temperatures (> 700 °K). The measured acceptor energy level is about 0.68 eV above the valence band. In contrast to the electrical transport properties of traditional III-nitride wide bandgap semiconductors, the temperature dependence of the hole mobility in hBN can be described by the form of μ ∝ (T/T{sub 0}){sup −α} with α = 3.02, satisfying the two-dimensional (2D) carrier transport limit dominated by the polar optical phonon scattering. This behavior is a direct consequence of the fact that hBN is a layer structured material. The optical phonon energy deduced from the temperature dependence of the hole mobility is ħω = 192 meV (or 1546 cm{sup -1}), which is consistent with values previously obtained using other techniques. The present results extend our understanding of the charge carrier transport properties beyond the traditional III-nitride semiconductors.
Near equilibrium distributions for beams with space charge in linear and nonlinear periodic focusing systems
Not Available
Spectral and structural stability properties of charged particle dynamics in coupled lattices
It has been realized in recent years that coupled focusing lattices in accelerators and storage rings have significant advantages over conventional uncoupled focusing lattices, especially for high-intensity charged particle beams. A theoretical framework and associated tools for analyzing the spectral and structural stability properties of coupled lattices are formulated in this paper, based on the recently developed generalized Courant-Snyder theory for coupled lattices. It is shown that for periodic coupled lattices that are spectrally and structurally stable, the matrix envelope equation must admit matched solutions. Using the technique of normal form and pre-Iwasawa decomposition, a new method is developed to replace the (inefficient) shooting method for finding matched solutions for the matrix envelope equation. Stability properties of a continuously rotating quadrupole lattice are investigated. The Krein collision process for destabilization of the lattice is demonstrated.
Envelope Hamiltonian for charged-particle dynamics in general linear coupled systems
Not Available
Resonant Enhancement of Charge Density Wave Diffraction in the Rare-Earth Tri-Tellurides
We performed resonant soft X-ray diffraction on known charge density wave (CDW) compounds, rare earth tri-tellurides. Near the M{sub 5} (3d - 4f) absorption edge of rare earth ions, an intense diffraction peak is detected at a wavevector identical to that of CDW state hosted on Te{sub 2} planes, indicating a CDW-induced modulation on the rare earth ions. Surprisingly, the temperature dependence of the diffraction peak intensity demonstrates an exponential increase at low temperatures, vastly different than that of the CDW order parameter. Assuming 4f multiplet splitting due to the CDW states, we present a model to calculate X-ray absorption spectrum and resonant profile of the diffraction peak, agreeing well with experimental observations. Our results demonstrate a situation where the temperature dependence of resonant X-ray diffraction peak intensity is not directly related to the intrinsic behavior of the order parameter associated with the electronic order, but is dominated by the thermal occupancy of the valence states.
Charge independence, charge symmetry breaking in the S-wave nucleon-nucleon interaction, and renormalization
We study the interplay between charge symmetry breaking and renormalization in the NN system for S-waves. We find a set of universality relations which disentangle explicitly the known long distance dynamics from low energy parameters and extend them to the Coulomb case. We analyze within such an approach the One-Boson-Exchange potential and the theoretical conditions which allow to relate the proton-neutron, proton-proton and neutron-neutron scattering observables without the introduction of extra new parameters and providing good phenomenological success.
Cross sections and double-helicity asymmetries of midrapidity inclusive charged hadrons in p + p collisions at sqrt(s)=62.4 GeV
N/A
Influence of Domain Walls in the Incommensurate Charge Density Wave State of Cu Intercalated 1 T –TiSe 2
We report a low-temperature scanning tunneling microscopy study of the charge density wave (CDW) order in 1T–TiSe 2 and Cu 0.08 TiSe 2 . In pristine 1T–TiSe 2 we observe a long-range coherent commensurate CDW (CCDW) order. In contrast, Cu 0.08 TiSe 2 displays an incommensurate CDW (ICDW) phase with localized CCDW domains separated by domain walls. Furthermore, density of states measurements indicate that the domain walls host an extra population of fermions near the Fermi level which may play a role in the emergence of superconductivity in this system. Fourier transform scanning tunneling spectroscopy studies suggest that the dominant mechanism for CDW formation in the ICDW phase may be electron-phonon coupling.
Sub-micron resolution of localized ion beam induced charge reduction in silicon detectors damaged by heavy ions
In this study, displacement damage reduces ion beam induced charge (IBIC) through Shockley-Read-Hall recombination. Closely spaced pulses of 200 keV Si ++ ions focused in a 40 nm beam spot are used to create damage cascades within 0.25 μm 2 areas. Damaged areas are detected through contrast in IBIC signals generated with focused ion beams of 200 keV Si ++ ions and 60 keV Li + ions. IBIC signal reduction can be resolved over sub-micron regions of a silicon detector damaged by as few as 1000 heavy ions.
Electric Vehicle Charging in the Public Right-of-Way (presentation on a ROW Charging Panel)
This presentation discusses the City of Portland's EV charging in the public right-of-way policy
Charge Exchange of Highly Charged Ne and Mg Ions with H and He
Cross sections for single electron capture (SEC), or charge exchange (CX), in collisions of Ne{sup (8–10)+} and Mg{sup (8–12)+} with H and He, are computed using an approximate multichannel Landau–Zener (MCLZ) formalism. Final-state-resolved cross sections for the principal (n), orbital angular momentum (ℓ), and where appropriate, total spin angular momentum (S) quantum numbers are explicitly computed, except for the incident bare ions Ne{sup 10+} and Mg{sup 12+}. In the latter two cases, nℓ-resolution is obtained from analytical ℓ-distribution functions applied to n-resolved MCLZ cross sections. In all cases, the cross sections are computed over the collision energy range 1 meV/u to 50 keV/u with LZ parameters estimated from atomic energies obtained from experiment, theory, or, in the case of high-lying Rydberg levels, estimated with a quantum defect approach. Errors in the energy differences in the adiabatic potentials at the avoided crossing distances give the largest contribution to the uncertainties in the cross sections, which are expected to increase with decreasing cross section magnitude. The energy differences are deduced here with the Olson–Salop–Tauljberg radial coupling model. Proper selection of an ℓ-distribution function for bare ion collisions introduces another level of uncertainty into the results. Comparison is made to existing experimental or theoretical results when available, but such data are absent for most considered collision systems. The nℓS-resolved SEC cross sections are used in an optically thin cascade simulation to predict X-ray spectra and line ratios that will aid in modeling the X-ray emission in environments where CX is an important mechanism. Details on a MCLZ computational package, Stueckelberg, are also provided.
Development and testing of advanced shaped charge meteoritic simulators. Part I - Shaped charge design and development
Meteoritic simulators using conical-shaped or hyperbolic-shaped charges that explosively propel metal jets