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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

‘Universal Injector’ at LERF - Layout and Optics Architecture

Here, we present a next level design of a compact injector within the LERF vault, which would serve both the 22 GeV CEBAF and the positron program, while being compatible with the electron source required to produce positrons for Ce+BAF. The baseline design of a 3-pass recirculator features a main linac configured with three C-75 cryo-modules, five isochronous return arcs and three straight sections, facilitating electron beam acceleration up to 650 MeV. The Universal Injector offers flexibility of extraction 1-pass and 2-pass energy electrons, as needed for positron production, with a final 3-pass extraction required by the 650 MeV injector for 22 GeV CEBAF. This note provides an overview of the baseline optics design of the Universal Injector complex, including the 8 MeV injector merger and the recirculator racetrack, including individual extraction lines for all three passes. A comprehensive suite of beam dynamics studies to validate the design is under way; starting with the orbit correction scheme, followed by start-to-end tracking with lattice misalignments and magnet errors.

Bogacz, Alex [Thomas Jefferson National Accelerato↗
DOE OSTI2019

Cryo_fit : Democratization of flexible fitting for cryo-EM

Cryo-electron microscopy (cryo-EM) is becoming a method of choice for describing native conformations of biomolecular complexes at high resolution. The rapid growth of cryo-EM in recent years has created a high demand for automated solutions, both in hardware and software. Flexible fitting of atomic models to three-dimensional (3D) cryo-EM reconstructions by molecular dynamics (MD) simulation is a popular technique but often requires technical expertise in computer simulation. This work introduces cryo_fit, a package for the automatic flexible fitting of atomic models in cryo-EM maps using MD simulation. Additionally, the package is integrated with the Phenix software suite. The module was designed to automate the multiple steps of MD simulation in a reproducible manner, as well as facilitate refinement and validation through Phenix. Through the use of cryo_fit, scientists with little experience in MD simulation can produce high quality atomic models automatically and better exploit the potential of cryo-EM.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Ultrahigh thermoelectric power factor in flexible hybrid inorganic-organic superlattice

Hybrid inorganic–organic superlattice with an electron-transmitting but phonon-blocking structure has emerged as a promising flexible thin film thermoelectric material. However, the substantial challenge in optimizing carrier concentration without disrupting the superlattice structure prevents further improvement of the thermoelectric performance. Here we demonstrate a strategy for carrier optimization in a hybrid inorganic–organic superlattice of TiS 2 [tetrabutylammonium] x [hexylammonium] y, where the organic layers are composed of a random mixture of tetrabutylammonium and hexylammonium molecules. By vacuum heating the hybrid materials at an intermediate temperature, the hexylammonium molecules with a lower boiling point are selectively de-intercalated, which reduces the electron density due to the requirement of electroneutrality. The tetrabutylammonium molecules with a higher boiling point remain to support and stabilize the superlattice structure. Furthermore, the carrier concentration can thus be effectively reduced, resulting in a remarkably high power factor of 904 µW m –1 K –2 at 300 K for flexible thermoelectrics, approaching the values achieved in conventional inorganic semiconductors.

14 SOLAR ENERGY↗
DOE OSTI2015

3D structural fluctuation of IgG1 antibody revealed by individual particle electron tomography

Commonly used methods for determining protein structure, including X-ray crystallography and single-particle reconstruction, often provide a single and unique three-dimensional (3D) structure. However, in these methods, the protein dynamics and flexibility/fluctuation remain mostly unknown. Here, we utilized advances in electron tomography (ET) to study the antibody flexibility and fluctuation through structural determination of individual antibody particles rather than averaging multiple antibody particles together. Through individual-particle electron tomography (IPET) 3D reconstruction from negatively-stained ET images, we obtained 120 ab-initio 3D density maps at an intermediate resolution (~1–3 nm) from 120 individual IgG1 antibody particles. Using these maps as a constraint, we derived 120 conformations of the antibody via structural flexible docking of the crystal structure to these maps by targeted molecular dynamics simulations. Statistical analysis of the various conformations disclosed the antibody 3D conformational flexibility through the distribution of its domain distances and orientations. This blueprint approach, if extended to other flexible proteins, may serve as a useful methodology towards understanding protein dynamics and functions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

A lumped particle direct simulation Monte-Carlo method combined with the collisional-radiative model for simulations of non-equilibrium laser-induced plasma plumes

Collisional plasma plumes induced by laser irradiation of material targets exhibit large variations in local density as well as ionization and excitation states, making purely hydrodynamic or kinetic simulations inaccurate or infeasible. To address this challenge and capture non-equilibrium effects in laser-induced plasma plumes at arbitrary degrees of ionization, we develop a hybrid computational approach that combines the kinetic direct simulation Monte Carlo (DSMC) method with a collisional-radiative model (CRM). This ℓDSMC-CRM approach utilizes a lumped particle method to represent minor fractions of excited ions in particle-based simulations and a special coarse-graining technique for atomic spectra and photoionization rates, ensuring numerical convergence at reduced computational cost. The hybrid approach is applied to simulate spatially homogeneous relaxation as well as one- and two-dimensional expansions of plasma plumes induced by irradiation of a copper target by a nanosecond laser pulse in a vacuum or background gas. The comparison with an equilibrium model, where local Saha-Boltzmann equilibrium is enforced, shows that the non-equilibrium effects play a dominant role. The equilibrium model can fail to predict the flow structure and strongly underestimate the degree of absorption of laser radiation by the plume. The ℓDSMC-CRM approach is validated against experimental data demonstrating reasonable agreement with the experimental electron density and temperature, while the equilibrium model is found to dramatically underestimate electron density and temperature. The flexibility of the ℓDSMC-CRM approach allows for its seamless integration into existing DSMC frameworks, making it a valuable tool for high-fidelity plasma modeling in laser-material interactions, laser-based manufacturing, and beyond.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Spectroscopic Investigation into P(NDI2OD-T2) Charge Localization

P(NDI2OD-T2), commonly referred to as N2200, stands out as a promising electron-transporting (n-type) polymer for low-cost, flexible (photo)electrochemical applications due to its reversible two-electron reduction and high electron mobility. UV–vis spectroelectrochemistry in the tetrabutyl ammonium hexafluorophosphate/acetonitrile electrolyte shows two sets of chemically reversible redox signals in the cyclic voltammetry corresponding to the reduction of the neutral polymer film to polaronic and bipolaronic species. These electrochemical signatures suggest a distinct electronic reorganization upon reduction (polaron/bipolaron formation), highlighting the need for molecular-level insights into how charges are accommodated within the polymer backbone. While it has been previously hypothesized that charge predominantly localizes on the naphthalene diimide (NDI) unit during reductive charging, specific changes in atomic environments that confirm this localization have not been characterized in n-type polymers. Herein, we use near-edge X-ray absorption fine structure (NEXAFS) spectroscopy to probe electronic transitions in an electrochemically charged polymer to deduce charge localization. The O K-edge (1s) spectra exhibit two distinct π* peaks; the intensity of the lower-energy π* a peak that corresponds to an excitation to a largely localized carbonyl state decreases with reductive potentials relative to the higher-energy π* b peak. We corroborate this with Raman spectroscopy at different potentials, which shows a decrease in intensity on the C–C/C═C and C═O stretching bands of NDI as well as a red shift of the carbonyl band due to the formation of a polaron on the NDI. Additionally, new Raman active NDI signals associated with elongated C═O and C═C bonds are observed at lower energy during the formation of charged states. Together with theoretical calculations, these findings show that the injected charge spatially localizes on the NDI units and is dominantly distributed on the carbonyl groups. In conclusion, the combination of NEXAFS, optical and vibrational spectroscopies, and theoretical calculations is generalizable to other pi-conjugated polymers and can identify charge localization for the further development of organic semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Superhalogen-based lithium superionic conductors

The development of cheap, durable, and safe inorganic solid electrolytes with superionic conductivity is the key for the next generation of all-solid metal-ion batteries. The recent discovery of antiperovskites with composition Li 3 OA (A = halogen) shows promise in this regard. Here, we demonstrate the potential of a new class of antiperovskites where halogens are replaced by BH 4 superhalogens. In addition to maintaining the high ionic conductivity of Li 3 OA, Li 3 O(BH 4 ) is lightweight, mechanically flexible, thermodynamically more stable, and electronically more insulating than Li 3 OA. By mixing BH 4 with Cl to make Li 3 O(BH 4 ) 0.5 Cl 0.5 , we further show that the conductivity will be doubled. The Li + -ion conductivity of the new materials is of the order of 10 -4 to over 10 -3 S cm -1 at room temperature and will be well above 10 -2 S cm -1 at higher temperatures below the melting point. The conduction mechanism of the material is revealed by identifying the relationship between the orientational symmetry of the BH 4- rotors and the potential surface felt by the lithium ions.

Fang, Hong↗
DOE OSTI2015

Investigations on caesium-free alternatives for H{sup −} formation at ion source relevant parameters

Negative hydrogen ions are efficiently produced in ion sources by the application of caesium. Due to a thereby induced lowering of the work function of a converter surface a direct conversion of impinging hydrogen atoms and positive ions into negative ions is maintained. However, due to the complex caesium chemistry and dynamics a long-term behaviour is inherent for the application of caesium that affects the stability and reliability of negative ion sources. To overcome these drawbacks caesium-free alternatives for efficient negative ion formation are investigated at the flexible laboratory setup HOMER (HOMogenous Electron cyclotron Resonance plasma). By the usage of a meshed grid the tandem principle is applied allowing for investigations on material induced negative ion formation under plasma parameters relevant for ion source operation. The effect of different sample materials on the ratio of the negative ion density to the electron density n{sub H{sup −}} /n{sub e} is compared to the effect of a stainless steel reference sample and investigated by means of laser photodetachment in a pressure range from 0.3 to 3 Pa. For the stainless steel sample no surface induced effect on the negative ion density is present and the measured negative ion densities are resulting from pure volume formation and destruction processes. In a first step the dependency of n{sub H{sup −}} /n{sub e} on the sample distance has been investigated for a caesiated stainless steel sample. At a distance of 0.5 cm at 0.3 Pa the density ratio is 3 times enhanced compared to the reference sample confirming the surface production of negative ions. In contrast for the caesium-free material samples, tantalum and tungsten, the same dependency on pressure and distance n{sub H{sup −}} /n{sub e} like for the stainless steel reference sample were obtained within the error margins: A density ratio of around 14.5% is measured at 4.5 cm sample distance and 0.3 Pa, linearly decreasing with decreasing distance to 7% at 1.5 cm. Thus, tantalum and tungsten do not significantly affect the negative ion density. First measurements conducted with LaB{sub 6} as well as with two types of diamond like carbon (DLC) n{sub H{sup −}} /n{sub e} of about 15% at 1 Pa were measured, which is comparable to the density ratio obtained for the stainless steel reference sample. At HOMER a surface induced enhancement of n{sub H{sup −}} is only observed when it exceeds the volume formation of H{sup −} which is also realistic for negative hydrogen ion sources.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Linearly dispersive bands at the onset of correlations in K 𝑥 ⁢C 60 films

Molecular crystals are a flexible platform to induce novel electronic phases. Due to the weak forces between molecules, intermolecular distances can be varied over larger ranges than interatomic distances in atomic crystals. On the other hand, the hopping terms are generally small, which results in narrow bands, strong correlations, and heavy electrons. Here, by growing K x C 60 fullerides on hexagonal layered Bi 2 Se 3 , we show that upon doping the series undergoes a Mott transition from a molecular insulator to a correlated metal and an in-gap state evolves into highly dispersive Dirac-like fermions at half filling, where superconductivity occurs. This picture challenges the commonly accepted description of the low-energy quasiparticles as appearing from a gradual electron doping of the conduction states and suggests an intriguing parallel with the more famous family of the cuprate superconductors. More in general, it indicates that molecular crystals offer a viable route to engineer electron-electron interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Large anomalous Nernst effect and nodal plane in an iron-based kagome ferromagnet

Anomalous Nernst effect (ANE), converting a heat flow to transverse electric voltage, originates from the Berry phase of electronic wave function near the Fermi energy E F . Thus, the ANE provides a sensitive probe to detect a topological state that produces large Berry curvature. In addition, a magnet that exhibits a large ANE using low-cost and safe elements will be useful to develop a novel energy harvesting technology. Here, we report our observation of a high ANE exceeding 3 microvolts per kelvin above room temperature in the kagome ferromagnet Fe 3 Sn with the Curie temperature of 760 kelvin. Our theoretical analysis clarifies that a “nodal plane” produces a flat hexagonal frame with strongly enhanced Berry curvature, resulting in the large ANE. Our discovery of the large ANE in Fe 3 Sn opens the path for the previously unexplored functionality of flat degenerate electronic states and for developing flexible film thermopile and heat current sensors.

36 MATERIALS SCIENCE↗
NASA NTRS1971

A large granite stage and measuring microscope.

A stage and measuring microscope servocontrolled by a computer have been constructed. The travel of the stage is 0.5 x 0.5 m and the travel of the microscope objective is 7.5 cm. The measuring accuracy is 1 micron in the x-y plane and 5 microns along the z axis. The mechanical and optical construction of the stage and microscope, as well as the way in which the control electronics are organized, permit great flexibility of operation. Possible applications include the scanning and measuring of astronomical plates, the laying out of patterns of semiconductor devices of very large sizes, and the measurement of precision grids.

Alston-Garnjost, M.↗
NASA NTRS1984

A balloon-borne high-resolution spectrometer for observations of gamma-ray emission from solar flares

The design, development, and balloon-flight verification of a payload for observations of gamma-ray emission from solar flares are reported. The payload incorporates a high-purity germanium semiconductor detector, standard NIM and CAMAC electronics modules, a thermally stabilized pressure housing, and regulated battery power supplies. The flight system is supported on the ground with interactive data-handling equipment comprised of similar electronics hardware. The modularity and flexibility of the payload, together with the resolution and stability obtained throughout a 30-hour flight, make it readily adaptable for high-sensitivity, long-duration balloon fight applications.

Crannell, C. J.↗
NASA NTRS1992

Optical-Input, Optical-Output Morphological Processor

Some advantages of optical and electronic processing combined. Proposed optical-input/optical-output morphological processor is optoelectronic assembly performing some binary operations on picture elements of binary input image, yielding processed binary output image. Number of such processors cascaded to form more complicated image-processing system. Use of optics as connection medium makes rate of processing faster than in all-electronic system designed to perform same overall processing functions. At the same time, use of electronics as processing medium provides flexibility of reconfiguration not available in all-optical system.

Yu, Jeffrey W.↗
NASA NTRS1992

Architectural development of an advanced EVA Electronic System

An advanced electronic system for future EVA missions (including zero gravity, the lunar surface, and the surface of Mars) is under research and development within the Advanced Life Support Division at NASA Ames Research Center. As a first step in the development, an optimum system architecture has been derived from an analysis of the projected requirements for these missions. The open, modular architecture centers around a distributed multiprocessing concept where the major subsystems independently process their own I/O functions and communicate over a common bus. Supervision and coordination of the subsystems is handled by an embedded real-time operating system kernel employing multitasking software techniques. A discussion of how the architecture most efficiently meets the electronic system functional requirements, maximizes flexibility for future development and mission applications, and enhances the reliability and serviceability of the system in these remote, hostile environments is included.

Lavelle, Joseph↗
NASA NTRS1995

Prototype Focal-Plane-Array Optoelectronic Image Processor

Prototype very-large-scale integrated (VLSI) planar array of optoelectronic processing elements combines speed of optical input and output with flexibility of reconfiguration (programmability) of electronic processing medium. Basic concept of processor described in "Optical-Input, Optical-Output Morphological Processor" (NPO-18174). Performs binary operations on binary (black and white) images. Each processing element corresponds to one picture element of image and located at that picture element. Includes input-plane photodetector in form of parasitic phototransistor part of processing circuit. Output of each processing circuit used to modulate one picture element in output-plane liquid-crystal display device. Intended to implement morphological processing algorithms that transform image into set of features suitable for high-level processing; e.g., recognition.

Fang, Wai-Chi↗
NASA NTRS2001

Intelligent dc-dc Converter Technology Developed and Tested

The NASA Glenn Research Center and the Cleveland State University have developed a digitally controlled dc-dc converter to research the benefits of flexible, digital control on power electronics and systems. Initial research and testing has shown that conventional dc-dc converters can benefit from improved performance by using digital-signal processors and nonlinear control algorithms.

Button, Robert M.↗
NASA NTRS2007

POSS(Registered TradeMark) Coatings for Solar Cells: An Update

Presently, solar cells are covered with Ce-doped microsheet cover glasses that are attached with Dow Corning DC 93-500 silicone adhesive. Various antireflection coatings are often applied to the cover glass to increase cell performance. This general approach has been used from the beginning of space exploration. However, it is expensive and time consuming. Furthermore, as the voltage of solar arrays increases, significant arcing has occurred in solar arrays, leading to loss of satellite power. The cause has been traced to differential voltages between strings and the close spacing between them with no insulation covering the edges of the solar cells. In addition, this problem could be ameliorated if the cover glass extended over the edges of the cell, but this would impact packing density. An alternative idea that might solve all these issues and be less expensive and more protective is to develop a coating that could be applied over the entire array. Such a coating must be resistant to atomic oxygen for low earth orbits below about 700 km, it must be resistant to ultraviolet radiation for all earth and near-sun orbits and, of course, it must withstand the damaging effects of space radiation. Coating flexibility would be an additional advantage. Based on past experience, one material that has many of the desired attributes of a universal protective coating is the Dow Corning DC 93-500. Of all the potential optical plastics, it appears to be the most suitable for use in space. As noted above, DC 93-500 has been extensively used to attach cover glasses to crystalline solar cells and has worked exceptionally well over the years. It is flexible and generally resistant to electrons, protons and ultraviolet (UV and VUV) radiation; although a VUV-rejection coating or VUV-absorbing ceria-doped cover glass may be required for long mission durations. It can also be applied in a thin coating (< 25 m) by conventional liquid coating processes. Unfortunately, when exposed to atomic oxygen (AO) DC 93-500 develops a frosty surface. Such frosting can lead to a loss of light transmitted into the cells and destroy the essential clarity needed for a concentrator lens.

Brandhorst, Henry↗
NASA NTRS2013

NASA Tech Briefs, December 2013

Topics include: Microwave Kinetic Inductance Detector With; Selective Polarization Coupling; Flexible Microstrip Circuits for; Superconducting Electronics; CFD Extraction Tool for TecPlot From DPLR Solutions; RECOVIR Software for Identifying Viruses; Enhanced Contact Graph Routing (ECGR) MACHETE Simulation Model; Orbital Debris Engineering Model (ORDEM) v.3; Scatter-Reducing Sounding Filtration Using a Genetic Algorithm and Mean Monthly Standard Deviation; Thermo-Mechanical Methodology for Stabilizing Shape Memory Alloy Response; Hermetic Seal Designs for Sample Return Sample Tubes; Silicon Alignment Pins: An Easy Way To Realize a Wafer-to-Wafer Alignment; Positive-Buoyancy Rover for Under Ice Mobility; Electric Machine With Boosted Inductance to Stabilize Current Control; International Space Station-Based Electromagnetic Launcher for Space Science Payloads; Advanced Hybrid Spacesuit Concept Featuring Integrated Open Loop and Closed Loop Ventilation Systems; Data Quality Screening Service.

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