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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS2006

Alpha-Voltaic Sources Using Liquid Ga as Conversion Medium

A family of proposed miniature sources of power would exploit the direct conversion of the kinetic energy of alpha particles into electricity. In addition to having long operational lives, these sources are expected to operate with energy-conversion efficiencies from 70 to 90 percent. A power source as proposed (see figure) would be an electrolytic cell in which liquid gallium would serve as both an electrolyte and an energy-conversion medium. The cell would contain an iridium cathode and a zirconium anode. The alpha particles, each with a kinetic energy approx.5.8 MeV, would be emitted by radioactive decay of Cm-244, which has a half-life of 18 years. The Cm-244 source would be positioned so that the a particles would enter the liquid gallium, where their kinetic energy would be dissipated mostly through ionization of Ga atoms, creating Ga(+) ions and free electrons. The electrons would be collected by iridium cathode, and the Ga(+) ions would be neutralized at the zirconium cathode by electrons returning after flowing through an external circuit. Gallium is a candidate for use as the electrolyte and the energy-conversion medium because in the liquid state it is a semimetal: its electrical conductivity is greater than that of a typical semiconductor but small in comparison with the conductivities of metals. Consequently, in liquid gallium, electrons and Ga(+) can exist without immediate recombination and can be moved by electric fields. It is expected that electric fields, resulting at least partly from the difference between the work functions of the electrode metals, would move the electrons and ions to their respective electrodes. The open-circuit potential of the cell is expected to be 1.62 V - equal to the difference between the work functions of iridium and zirconium. Unlike in a solid-state energy conversion medium, the impingement of energetic a particles would not give rise to displacement damage in the liquid gallium. Hence, the cell should have a long life, limited only by the half-life of Cm-244. A cell having a volume less than 25 cu mm, containing 1 curie of Cm-244 (the curie is a unit of radioactivity equal to 3.7 10(exp 10) disintegrations per second) is expected to deliver a current between 7 and 12 mA, which, at the expected open-circuit potential, would provide a power in the approximate range of 11 to 20 mW.

Patel, Jagdish U.↗
NASA NTRS1980

Optimal thermionic energy conversion with established electrodes for high-temperature topping and process heating

Applied research-and-technology (ART) work reveals that optimal thermionic energy conversion (TEC) with approximately 1000 K to approximately 1100 K collectors is possible using well established tungsten electrodes. Such TEC with 1800 K emitters could approach 26.6% efficiency at 27.4 W/sq cm with approximately 1000 K collectors and 21.7% at 22.6 W/sq cm with approximately 1100 K collectors. These performances require 1.5 and 1.7 eV collector work functions (not the 1 eV ultimate) with nearly negligible interelectrode losses. Such collectors correspond to tungsten electrode systems in approximately 0.9 to approximately 6 torr cesium pressures with 1600 K to 1900 K emitters. Because higher heat-rejection temperatures for TEC allow greater collector work functions, interelectrode loss reduction becomes an increasingly important target for applications aimed at elevated temperatures. Studies of intragap modifications and new electrodes that will allow better electron emission and collection with lower cesium pressures are among the TEC-ART approaches to reduced interelectrode losses. These solutions will provide very effective TEC to serve directly in coal-combustion products for high-temperature topping and process heating. In turn this will help to use coal and to use it well.

Morris, J. F.↗
DOE OSTI2026

Confinement of quasi-atomic structures in Ti 2 N and Ti 3 N 2 MXene electrides

Metal carbides, nitrides, or carbonitrides of early transition metals, better known as MXenes, possess notable structural, electrical, and magnetic properties. Analyzing electronic structures by calculating structural stability, band structure, density of states, Bader charge transfer, and work functions utilizing first principle calculations, we revealed that titanium nitride MXenes, namely Ti 2 N and Ti 3 N 2 , have excess anionic electrons in their lattice voids, making them MXene electrides. Bulk Ti 3 N 2 has competing antiferromagnetic (AFM) and ferromagnetic (FM) configurations with slightly more stable AFM configuration, while the Ti 2 N MXene is nonmagnetic. Although Ti 3 N 2 favors AFM configuration with hexagonal crystal systems having 6/ mmm point group symmetry, Ti 3 N 2 does not support altermagnetism. The monolayer of the Ti 3 N 2 MXene is a ferromagnetic electride. These unique properties of having non-nuclear interstitial anionic electrons in the electronic structure of titanium nitride MXene have not yet been reported in the literature. Density functional theory calculations show TiN is neither an electride, MXene, or magnetic.

Anionic electrons↗
NASA NTRS1994

Geometry and Unoccupied Electronic States of Ba and BaO on W(001)

A study aimed at understanding the geometrical and electronic properties of barium and oxygen coadsorbed on the tungsten(001) surface has been carried out by means of work-function measurements (Delta-phi), Auger-electron spectroscopy, low-energy electron diffraction, inverse photoelectron spectroscopy, and relativistic-electronic-structure calculations. A report of the experimental measurements and a comparison with theoretical results from embedded-cluster-model calculations are presented. Our experimental studies show that the work function of the W(001) surface (phi = 4.63 eV) is lowered to approximately 2.3-2.4 eV by coadsorption of 1 ML of Ba and O regardless of the order of deposition of these two species. The technique of IPS in the isochromat mode was used to determine the unoccupied electronic-energy band structure for ordered c (2 X 2) Ba and O layers on W(001). Several spectral features are observed above the Fermi level (E(F)), which we assign to transitions into Ba and W d-states. The measured two-dimensional electronic band structure is independent of the order of Ba and O deposition. Using embedded-cluster-model calculations, we investigated two possible adsorption configurations of an ordered c(2 X 2) adlayer of Ba and O on W(001): 'tilted,' where Ba and O are placed on alternate fourfold-hollow sites, and 'upright,' where the adsorbed atoms lay above the same site with Ba outer-most. The calculated densities of states for the tilted geometry show distinct peaks above E(F) originating from Ba and W d-orbitals and are in good agreement with the experimental results.

Lamouri, A.↗
NASA NTRSDate not supplied

Implementation of Charged Particle Behavior in Discrete Element Method (DEM) Simulations

To understand the behavior of charged lunar regolith when perturbed by lunar landers, it is important to couple the grain dynamics with mechanical and electrical particle interactions. To accomplish this, improvements have been made to a discrete element method (DEM) software package to include both short- and long-range interactions between spherical particles. Short-range interactions rely on contact between the particles, such as electrical conduction and triboelectric charge transfer driven by work functions. Long-range interactions act at a distance between every pairing of particles, such as electrostatic forces and gravitational forces. Results from simulations between a few particles are compared with theory to verify these added behaviors prior to scaling up to more complex scenarios. The radii, initial charges, electrical conductivities, work functions, and separation of the particles are varied and the resultant charges as well as the time required to reach the final state are determined.

Electrostatics↗
DOE OSTI2025

Investigation of the Anisotropy of Y-Ba-Cu-O Thin Films With Photoemission Electron Microscopy

Understanding the anisotropy in the electrical properties of YBa2Cu3O7-δ (YBCO) is important for understanding the fundamental mechanism of superconductivity in unconventional superconductors. Additionally it is also essential for achieving uniform and controllable critical currents and resistances in YBCO Josephson junctions. Here, this study correlates work function measurements of different intrinsic regions on YBCO thin films, obtained through PhotoEmission Electron Microscopy (PEEM), with in plane tunneling data and helium ion imaging. YBCO thin films, 40 nm in thickness, were selectively irradiated with 300 keV helium using a Pelletron to investigate the effects of irradiation compared to unirradiated regions. Post-irradiation PEEM images revealed distinct contrasts between irradiated and non-irradiated regions, suggesting a metal-to-insulator transition. In non-irradiated areas, a domain pattern was detected, showing a 25 meV difference in work function, attributed to CuO and BaO rich surface regions. A similar domain structure was observed using high-resolution helium ion imaging; however, the helium ion beam can damage the YBCO, making PEEM a valuable non-destructive alternative. This work highlights the correlation between PEEM measurements and in-plane tunneling properties of YBCO, providing insights into material orientation and its impact on Josephson junction performance. Furthermore, it offers a non-destructive approach to understanding the anisotropy of cuprate materials, its superconducting properties, and the factors affecting Josephson junction performance.

Qu, Rochelle Y. [Univ. of California, Riverside, C↗
DOE OSTI2025

Spatially Enhanced Electrostatic Doping in Graphene Realized via Heterointerfacial Precipitated Metals

Forming heavily-doped regions in 2D materials, like graphene, is a steppingstone to the design of emergent devices and heterostructures. Here, a selective-area approach is presented to tune the work-function and carrier density in monolayer graphene by spatially synthesizing sub-monolayer gallium beneath the 2D-solid. The localized metallic gallium is formed via precipitation from an underlying diamond-like carbon (DLC) film that is spatially implanted with gallium-ions. By controlling the interfacial precipitation process with annealing temperature, spatially precise ambipolar tuning of the graphene work-function is achieved, and the tunning effect preserved upon cooling to ambient conditions. Consequently, charge carrier densities from ≈1.8 × 10 10 cm -2 (hole-doped) to ≈7 × 10 13 cm -2 (electron-doped) are realized, confirmed by in situ and ex situ measurements. The theoretical studies corroborated the role of gallium at the heterointerface on charge transfer and electrostatic doping of the graphene overlayer. Specifically, sub-monolayer gallium facilitates heavy n-doping in graphene. Extending this doping strategy to other implantable elements in DLC provides a new means of exploring the physics and chemistry of highly-doped 2D materials.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Evaluation of single crystal LaB6 cathodes for use in a high frequency backward wave oscillator tube

The results of thermionic emission and evaporation studies of single crystal LaB6 cathodes are given. A comparison between the (100), (210) and (310) crystal planes shows the (310) and (210) planes to possess a work function approx 0.2 eV lower than (100). This translates into a significant increase in current density, J, at a specified temperature. Comparison with a state-of-the-art impregnated dispenser cathode shows that LaB6 (310) is a superior cathode in nearly all respects except operating temperature at j 10 A/sq cm. The 1600 K thermionic and room temperature retarding potential work functions for LaB6 (310) are 2.42 and 2.50 respectively.

Swanson, L. W.↗
NASA NTRS1972

Cathode effects on thrust subsystem performance predictability.

Development of a model of mercury vapor electron bombardment thrustor hollow cathode operation. The proposed model predicts that the primary electron emission mechanism is thermionic when sufficient low work function material is present, that the cathode is heated by power extracted from the plasma to a temperature sufficient to emit the current demanded by the external circuit; that for a given total arc current, attempts to reduce cathode temperature by changes in the external thermal coupling will affect only the amount of power extracted from the plasma; and that depletion of low work function material in the cathode results in higher cathode temperature.

Goldstein, R.↗
NASA NTRS1976

Adsorption of oxygen on W/100/ - Adsorption kinetics and structure

The adsorption of oxygen on W(100) single-crystal surfaces is studied by Auger electron spectroscopy (AES), flash desorption, low-energy electron diffraction (LEED), and retarding-field work-function measurements. The AES results reveal stepwise changes in the sticking coefficients in the coverage range 0 to 1 and activated adsorption at higher coverages. Upon room-temperature adsorption, a series of complex LEED patterns is observed. In layers adsorbed at 1050 K and cooled to room temperature, the p(2 x 1) structure is the first ordered structure observed. This structure shows a reversible order-disorder transition between 700 and 1000 K and is characterized by a work function which is lower than that of the clean surface. Heating room-temperature adsorbates changes their structure irreversibly. At temperatures below 750 K, some new structures are observed.

Bauer, E.↗
NASA NTRS1978

The co-adsorption of copper and oxygen on a tungsten 100 plane-type surface

The coadsorption of Cu on O2 and a W 100 plane-type surface is studied by Auger electron spectroscopy, thermal desorption, low energy electron diffraction and by work function change measurements. It is shown that the presence of Cu on the surface initially decreases the sticking coefficient of O2. For longer oxygen exposures and for higher adsorption temperatures, the coverage of preadsorbed oxygen reaches values larger than those on the clean surface for the same O2 exposure. Except at the highest values and temperatures of the coverage of preadsorbed oxygen, the sticking coefficient for copper is unity and is independent of the oxygen coverage in the range studied. Coadsorption at room temperatures does not produce any long range order while coadsorption at elevated temperature leads to ordered structures. The saturation coverage of the two dimensional coadsorbate at 800 K is given by a relation. The work function is a complicated function of the coverage of preadsorbed oxygen and the coverage of preadsorbed Cu and is determined predominantly by the temperature at which oxygen is adsorbed. At high temperatures the sequence of adsorption has no influence, in contrast to the room temperature behavior.

Bauer, E.↗
NASA NTRS2003

Modeling of Carbon Nanotube Schottky Barrier Reduction for Holes in Air

A model is proposed for the recently observed lower Schottky barrier for holes in air than in vacuum at a metallic electrode - semiconducting carbon nanotube (CNT) junction. In air, the CNT is oxidized. The oxygen molecules on the CNT surface will attract negative charges and will be negatively charged. The negative charges on the solid surface generally enhance the surface dipole and provide stronger electron confinement within the solid. Thus the CNT work function will increase in air. Then the Schottky barrier for holes will have to increase in air according to the standard band-alignment theory, but this is against the experiment. In order to overcome this difficulty, we propose a new Schottky barrier model, assuming that there is a transition region between the electrode and the CNT, where an appreciable potential can drop. We assume that electrodes are placed at the side of the CNT and the contact is formed via the van der Waals interaction. Since the electrode surface is not atomically flat in practical situations, the contact will not be intimate and there will be a transition region before the usual metallic bulk structure starts. In this view, the Schottky barrier is determined not only by the work function difference of the electrodes and the CNT, but also by the potential drop in the transition region. The oxidation increases the potential drop and leads to a lower Schottky barrier for holes. This relation will be demonstrated in a graphical manner by expressing the potential drop as a function of CNT band bending. The potential drop is comparable to the CNT band gap when, e.g., the transition region is about a few Angstroms thick, the oxygen molecule coverage is about 10 %, and an oxygen molecule is charged by about 0.01-0.1 of the unit charge (1-10 % of molecules are charged). The proposed mechanism prevails for both p - and n-CNTs. The model consistently explains the CNT oxidation experiments reported so far.

Yamada, Toshishige↗
NASA NTRS2007

Seeking to Improve Low Energy Neutral Atom Detection in Space

The detection of energetic neutral atoms allows for the remote examination of the interactions between plasmas and neutral populations in space. Before these neutral atoms can be measured, they must first be converted to ions. For the low energy end of this spectrum, interaction with a conversion surface is often the most efficient method to convert neutrals into ions. It is generally thought that the most efficient surfaces are low work functions materials. However, by their very nature, these surfaces are highly reactive and unstable, and therefore are not suitable for space missions where conditions cannot be controlled as they are in a laboratory. We therefore are looking to optimize a stable surface for conversion efficiency. Conversion efficiency can be increased either by changing the incident angle of the neutral particles to be grazing incidence and using stable surfaces with high conversion efficiencies. We have examined how to increase the angle of incidence from -80 degrees to -89 degrees, while maintaining or improving the total active conversion surface area without increasing the overall volume of the instrument. We are developing a method to micro-machine silicon, which will reduce the volume to surface area ratio by a factor of 60. We have also examined the material properties that affect the conversion efficiency of the surface for stable surfaces. Some of the parameters we have examined are work function, smoothness, and bond structure. We find that for stable surfaces, the most important property is the smoothness of the surface.

Shappirio, M.↗
NASA NTRS2006

Electrostatic Properties of PE and PTFE Subjected to Atmospheric Pressure Plasma Treatment; Correlation of Experimental Results with Atomistic Modeling

The use of an atmospheric pressure glow discharge (APGD) plasma was used at KSC to increase the hydrophilicity of spaceport materials to enhance their surface charge dissipation and prevent possible ESD in spaceport operations. Significant decreases in charge decay times were observed after tribocharging the materials using the standard KSC tribocharging test. The polarity and amount of charge transferred was dependent upon the effective work function differences between the respective materials. In this study, polyethylene (PE) and polytetrafluoroethylene (PTFE) were exposed to a He+O2 APGD. The pre and post treatment surface chemistry was analyzed by X-ray photoelectron spectroscopy and contact angle measurements. Semi-empirical and ab initio calculations were performed to correlate the experimental results with some plausible molecular and electronic structure features of the oxidation process. For the PE, significant surface oxidation was observed, as indicated by XPS showing C-O, C=O, and O-C=O bonding, and a decrease in the surface contact angle from 98.9 deg to 61.2 deg. For the PTFE, no C-O bonding appeared and the surface contact angle increased indicating the APGD only succeeded in cleaning the PTFE surface without affecting the surface structure. The calculations using the PM3 and DFT methods were performed on single and multiple oligomers to simulate a wide variety of oxidation scenarios. Calculated work function results suggest that regardless of oxidation mechanism, e.g. -OH, =0 or a combination thereof, the experimentally observed levels of surface oxidation are unlikely to lead to a significant change in the electronic structure of PE and that its increased hydrophilic properties are the primary reason for the observed changes in its electrostatic behavior. The calculations for PTFE argue strongly against significant oxidation of that material, as confirmed by the XPS results.

Trigwell, Steve↗