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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Electrode-molecule energy level offsets in a gold-benzene diamine-gold single molecule tunnel junction

One means for describing electron transport across single molecule tunnel junctions (MTJs) is to use density functional theory (DFT) in conjunction with a nonequilibrium Green’s function formalism. This description relies on interpreting solutions to the Kohn–Sham (KS) equations used to solve the DFT problem as quasiparticle (QP) states. Many practical DFT implementations suffer from electron self-interaction errors and an inability to treat charge image potentials for molecules near metal surfaces. For MTJs, the overall effect of these errors is typically manifested as an overestimation of electronic currents. Correcting KS energies for self-interaction and image potential errors results in MTJ current–voltage characteristics in close agreement with measured currents. An alternative transport approach foregoes a QP picture and solves for a many-electron wavefunction on the MTJ subject to open system boundary conditions. It is demonstrated that this many-electron method provides similar results to the corrected QP picture for electronic current. The analysis of these two distinct approaches is related through corrections to a junction’s electronic structure beyond the KS energies for the case of a benzene diamine molecule bonded between two gold electrodes.

Szepieniec, Mark S.↗
DOE OSTI2024

Visible core spectroscopy at Wendelstein 7-X

This paper presents an overview of recent hardware extensions and data analysis developments to the Wendelstein 7-X visible core spectroscopy systems. These include upgrades to prepare the in-vessel components for long-pulse operation, nine additional spectrometers, a new line of sight array for passive spectroscopy, and a coherence imaging charge exchange spectroscopy diagnostic. Progress in data analysis includes ion temperatures and densities from multiple impurity species, a statistical comparison with x-ray crystal spectrometer measurements, neutral density measurements from thermal passive Balmer-alpha emission, and a Bayesian analysis of active hydrogen emission, which is able to infer electron density and main ion temperature profiles.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Proton diffusion and hydrogen/deuterium exchange in amorphous solid water at temperatures from 114 to 134 K

The reaction coefficient for hydrogen/deuterium (H/D) exchange and the diffusion of hydrated excess protons within amorphous solid water (ASW) are characterized as a function of temperature. For these experiments, water films are deposited on a Pt(111) substrate at 108 K, and reactions with pre-adsorbed hydrogen atoms produce hydrated protons. Upon heating, protons diffuse within the water, and H/D exchange occurs when they encounter D2O probe molecules deposited in the films. The time-dependent concentration of D2O is monitored with infrared spectroscopy, and it indicates the protons diffusion from the substrate and establish an equilibrium distribution prior to significant H/D exchange for temperatures 114 K ≤T≤ 134 K. By controlling the distance between the D2O molecules and the substrate, we probe the distribution of protons within the film. It decays as x−2 for the examined range of x (12–52 nm) due to the electric field that develops between the diffusing protons and their image charges in the metal substrate. This agrees with the theoretical distance scaling for the equilibrated proton concentration in a dielectric near a metal boundary. From the proton concentration and the measured D2O decay rate, a lower bound for the proton diffusion coefficient ranging from 10−20 m2/s at 114 K to 10−18 m2/s at 134 K is estimated. The diffusion coefficient has an activation energy of 0.40 eV, which is comparable to energies reported for molecular translations and rotations of H2O, suggesting they may play a critical role in the proton diffusion mechanism within ASW.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Two-frequency RF fields induced multipactor in coaxial transmission lines

This study presents a comprehensive investigation of two-surface multipactor discharge in coaxial transmission lines under two-frequency radio frequency (RF) excitation using one-dimensional Monte Carlo simulations validated against three-dimensional particle-in-cell simulations and experimental data. The results show that introducing a second carrier mode can suppress multipactor by reshaping and shrinking the susceptibility region, with the extent and location of suppression strongly dependent on the device's aspect ratio and the relative phase of the second carrier mode. Distinct suppression patterns are observed across different fd regimes, while in some cases, susceptibility expansion also occurs under two-frequency operation. A key outcome is the identification and delineation of pure and mixed multipactor modes in coaxial geometry, where analytical mode boundaries are not readily available. Unlike planar geometries, pure-mode regions in coaxial systems overlap with mixed-mode domains, complicating mode identification. Additionally, image charge forces are found to have negligible influence on susceptibility thresholds but strongly affect electron growth rates. These findings offer valuable insights into the use of waveform engineering for controlling multipactor in high-power RF systems.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Diocotron modes in pure electron plasmas in the APEX levitating dipole trap

Abstract Observations of persistent toroidal modes in dipole-trapped pure electron plasmas are presented. Non-neutral electron plasmas were confined by the poloidal magnetic field of the APEX (A Positron Electron eXperiment) levitating dipole trap. The negative bias of the electron emitter was gated to control the filling time. Large amplitude, narrow-band oscillations were consistently observed in wall probe measurements after the fill. The oscillatory image-charge currents induced by the trapped electron plasma typically persisted for many seconds with fundamental frequencies, f 0 = 50 to 500 kHz, that scale with the E → × B → drift velocity. We attribute this feature to the dipole-equivalent of the diocotron mode that is commonly observed in non-neutral plasmas in linear traps.

Deller, A. (ORCID:0000000234301501)↗
DOE OSTI2020

ElectroMon Geometry Considerations: Simulations of Electron Transport to a Diamond-Based Detector

Particle-in-Cell simulations were performed to investigate the effects of electrode bias and pitch on the expected number of electrons arriving at a diamond-based detector at a set of relevant incident electron energies for electron cloud monitoring. Results of these simulations indicate that the pitch of the electrodes directly impacts the number of incident electrons based on complete opacity of the electrodes to the electrons; image charge does not play a role at any relevant electron energy. Positive bias on the incident electrodes directly increases the energy of the incident electrons, while negative bias reduces the energy and completely repels incoming electrons of energies lower than the applied bias. These results are intended to be used as input parameters for a solid-state simulation which will determine the collection efficiency of the electron-hole pairs produced within the diamond as a function of position and energy.

43 PARTICLE ACCELERATORS↗
NASA NTRS1971

Electron tunneling as a basis for semiconduction in proteins

Electron tunneling is investigated as a possible mechanism for the conduction of electrical current in solids composed of protein molecules. An intermolecular potential barrier is assumed which takes into account the applied electric field and the possibility of image charge effects. The WKB approximation is used to calculate the net tunneling current density and resulting conductivity. The results suggest that electron tunneling per se is not a suitable mechanism for explaining the observed conductivities in such materials.

Flax, L.↗
DOE OSTI2025

Two-Frequency RF Fields Induced Multipactor in Coaxial Transmission Lines

Multipactor is a nonlinear discharge phenomenon that occurs in vacuum RF systems, potentially leading to signal distortion, power loss, and even permanent damage to high-power components. This study presents a detailed investigation of two-surface multipactor in coaxial transmission lines under two-frequency excitation, using one-dimensional (1D) Monte Carlo simulations validated by three-dimensional (3D) Particle-in-Cell (PIC) results and experimental data. Introducing a second carrier mode is shown to suppress multipactor by reshaping and shrinking the susceptibility region, with the extent and location of suppression strongly dependent on the device aspect ratio and the relative phase of the second mode. Distinct suppression patterns emerge across different frequency–gap distance (fd) regimes, and in certain cases, susceptibility expansion is also observed. The study identifies and distinguishes pure and mixed multipactor modes in coaxial geometry, where analytical mode boundaries are not readily defined. Unlike planar systems, pure-mode regions in coaxial structures overlap with mixed-mode domains, complicating classification. Image charge forces are found to have minimal effect on susceptibility thresholds but do influence electron growth rates. These findings provide new insights into waveform-driven control of multipactor in high-power RF systems.

43 PARTICLE ACCELERATORS↗
NASA NTRS1979

Monolithic InSb imaging arrays with charge-coupled device /CCD/ readout

The paper demonstrates the detection of infrared radiation and signal readout on a monolithic InSb charge coupled infrared imaging device. The device is a 20-element linear imager with MOS detectors coupled to a four-phase, surface-channel, charge transfer structure. The charge transfer device is p-channel and has planar ion implanted diode structures for zero input and charge readout. Sensitivity measurements on the MOS infrared detectors were determined for the 20-element array. Data are presented on the operational characteristics of the 20-element linear imager under various conditions of electrical and optical inputs in both multiplexed and a time delay and integration (TDI) mode. Plans are discussed for a monolithic InSb 100-element linear imager and a 20 x 16 TDI linear imager.

Miller, W. E.↗
NASA NTRS1987

Current status of the 800 x 800 charge-coupled-device image sensor

This paper presents an updated version of a previous paper describing a three-phase 800 x 800 charge-coupled-device image sensor. Although this device was originally designed to be used as the sensor for the Wide Field/Planetary Camera on the Hubble Space Telescope, it is now being used as the detector of choice on many ground-based telescopes. The performance of the device is reviewed, and the important contributions it has made to the understanding of general CCD performance is indicated.

Blouke, Morley M.↗
NASA NTRS1999

Shuttle and Transfer Orbit Thermal Analysis and Testing of the Chandra X-Ray Observatory Charge-Couple Device Imaging Spectrometer Radiator Shades

Thermal analyses of the Shuttle and Transfer Orbit of the Advanced X-Ray Astrophysics Facility Charge-Coupled Device (CCD) Imaging Spectrometer (ACIS), one of two science instruments on the Chandra X-Ray Observatory, revealed a low-earth orbit (LEO) overheating problem on the goldized Kapton faces of two radiator shades. The shades were coated with the goldized Kapton to provide a low hemispherical emittance to minimize direct and backloaded heating from the sun and the observatory and high specularity to optimize the coupling to space on two passive radiators which cool the focal plane to -120 C +/- 1 C during on-orbit operations. Since the observatory has a highly elliptical final orbit of 10,000 kilometers by 140,000 kilometers and the ACIS radiators and shades are oriented anti-sun, the high solar absorptance to emittance ratio of the goldized Kapton was not an issue. However, during Shuttle bay-to-earth operations, the short duration solar heating occurring near the eclipse entry and exit resulted in shade temperatures in excess of the cure temperature of the adhesive used to bond the goldized Kapton and honeycomb face-sheets. The detailed thermal analysis demonstrating the LEO overheating as well as the redesign options and thermal testing of a redesigned development unit shade are presented.

Sharp, John R.↗
DOE OSTI2023

Imaging the electron charge density in monolayer MoS 2 at the Ångstrom scale

Four-dimensional scanning transmission electron microscopy (4D-STEM) has recently gained widespread attention for its ability to image atomic electric fields with sub-Ångstrom spatial resolution. These electric field maps represent the integrated effect of the nucleus, core electrons and valence electrons, and separating their contributions is non-trivial. In this paper, we utilized simultaneously acquired 4D-STEM center of mass (CoM) images and annular dark field (ADF) images to determine the projected electron charge density in monolayer MoS 2 . We evaluate the contributions of both the core electrons and the valence electrons to the derived electron charge density; however, due to blurring by the probe shape, the valence electron contribution forms a nearly featureless background while most of the spatial modulation comes from the core electrons. Our findings highlight the importance of probe shape in interpreting charge densities derived from 4D-STEM and the need for smaller electron probes.

36 MATERIALS SCIENCE↗
DOE OSTI2026

In Situ Imaging Reveals Efficient Charge Separation in Monolayer MoS 2 –WS 2 Type-II Heterojunctions

Covalently bonded in-plane two-dimensional (2D) transition metal dichalcogenide (TMD) heterojunctions with atomically sharp interfaces hold great promise for photocatalytic applications in solar energy conversion and environmental remediation; however, their spatially resolved charge distribution and transport, particularly under operando conditions, remain poorly understood. Here, we employ photoscanning electrochemical microscopy (photo-SECM) to directly visualize photoinduced charge separation in monolayer MoS 2 –WS 2 in-plane heterojunctions. Spatial separation of photogenerated carriers is observed, with electrons accumulating in MoS 2 and holes in WS 2 , leading to strongly asymmetric interfacial kinetics: Fc + reduction proceeds rapidly on MoS 2 (0.6 cm s –1 ), whereas Fc oxidation on WS 2 is significantly slower (0.008 cm s –1 ). High-resolution surface photovoltage microscopy (SPVM) enables a quantitative comparison of charge-separation capacity across architectures. The in-plane MoS 2 –WS 2 heterojunction shows the largest photovoltage contrast (−35 mV in MoS 2 , 20 mV in WS 2 ), exceeding the vertical heterojunction (−18 mV in MoS 2 , 11 mV in WS 2 ) and the individual monolayers (−12 mV for MoS 2 , – 1 mV for WS 2 ), establishing the following trend: in-plane > vertical > monolayers. Ultraviolet photoelectron spectroscopy (UPS) indicates that this directional charge separation is driven by intrinsic type-II band alignment, while photoluminescence (PL) imaging shows that the interface acts as a recombination center that limits efficient carrier extraction. These results provide direct experimental evidence of type-II-driven charge separation in in-plane heterojunctions and offer critical insights for interface design in high-efficiency photocatalytic and optoelectronic systems.

electrical properties↗
NASA NTRS1981

Single photon X-ray imaging with charge-coupled devices /CCDs/

The paper describes a CCD camera facility designed and built for testing and characterization of CCDs in response to single X-ray photons in the 1-10 keV energy range. Results from the frontside-illuminated Fairchild 211 and 221 area imagers are presented; high quantum efficiency over the 3-6 keV range was verified. In order to avoid the problem of charge spreading at the higher energies, deep-depleted CCDs for soft X-ray imaging have been constructed, and good response was obtained at 6 keV. The present results are a first step toward the demonstration of the CCD as an appropriate device for at least the central part of the focal plane of a large X-ray telescope, e.g., the proposed Advanced X-ray Astrophysics Facility.

Griffiths, R. E.↗
NASA NTRS1973

Image recording using charge-coupled devices

The principle of charge coupling is reviewed and some performance limitations are discussed. The practicality of a two-dimensional charge-coupled area-imaging device is examined. Of several possible design approaches, a frame transfer approach was chosen for detailed consideration because it has a very simple resolution cell. The results obtained in utilizing the proposed approach are given along with some of the problems detected.

Sequin, C.↗
NASA NTRS1987

Flash technology for charge-coupled-device imaging in the ultraviolet

The introduction of the flash gate has made possible the fabrication of backside-illuminated CCDs with high sensitivity and stability throughout a wide range of ultraviolet and visible wavelengths (100 to 5000 A). It had been determined previously that the characteristics of the oxide layer beneath the gate are critical to the ultimate achievable CCD performance. However, by creating an improved oxide layer in conjunction with the flash gate, it is now possible to consistently produce CCDs with near-ideal UV performance. In this paper recent results and related background theory that optimize the flash gate specifically for application in the UV are presented.

Janesick, James R.↗