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NASA NTRS1985

Surface discharge through an insulator in a vacuum

A model for the mechanism of stationary discharges over insulators in a vacuum was developed. Upon introduction of this discharge, the insulator charges as a result of secondary emissions, in such a way that electrons coming from the cathode strike with an average secondary electron yield of 1, and so that the secondary electrons return again to the insulator through the electric field near the insulator. When the secondary electrons strike, electrons with an average yield of 1 are released again. The electrons move in short faults toward the anode, which they strike with lesser energy.

Boersch, H.↗

NASA NTRS1988

Design guide: Designing and building high voltage power supplies, volume 2

This report contains an accumulation of publications and analyses aimed at developing guidelines for improving both high voltage and low voltage power supplies for the U.S. Air Force systems command. It is the intent of the report to supply good design and manufacturing techniques for the packaging and the building of high quality, reliable, long-life power supplies. These data are based on the wealth of engineering practices established by design and manufacturing engineers. The contents are: Fundamentals of Insulation: Gases, Liquid Dielectrics, Solid Insulation; Environment: Pressure, Particulates, Environmental Interactions with Space Power Systems, Surface Charging, System Design Criteria; Configuration and Design Data: Designs, Transients, Grounding and Bonding, Thermal Control; Materials and Processes: Insulation, Processes, Process Variables; Manufacturing: Yield, Government and Industrial Survey, Analysis, Problem Areas and Suggested Solutions, Designs That Have Worked in High Voltage Equipment, Manufacturing Summary; and Tests: Performance, Insulation Tests, Materials Testing, Component and Equipment Tests, Performance Testing, Facility and Environment, Accelerated Life Test; Maintenance and Repair: Maintenance, Test Sets, Pilots and Crewmen, Air Logistic Centers, Design Problem Recommendations.

W G Dunbar↗

DOE OSTI2024

Novel ceramic capacitors with ultrahigh energy density and efficiency (Final Technical Report)

Antiferroelectric ceramics are a special class of material that have shown great potential as the dielectric in electrical capacitors due to their high energy- and power-density. During each charge-discharge cycle, the ceramic undergoes transformation to a ferroelectric phase and resumes its antiferroelectric phase. The hysteresis associated with the transitions leads to a mediocre energy efficiency and service lifetime of antiferroelectric capacitors and, hence, their almost absence in commercial products. Under the support of this research project, we first formulated a universal lattice-compatibility theory that included electrostatic polarization energy along with elastic energy and thermal energy to understand the origin of the hysteresis in antiferroelectric oxides. Guided by this compatibility theory, we conducted high-throughput density functional theory (DFT) calculations to assess chemical modifiers and their effect on crystal structures of 400+ PbZrO 3 -based compositions. Down-selected compositions were experimentally validated for their suppressed hysteresis and higher energy efficiency. The verified low-hysteresis compositions were then expanded to an antiferroelectric ceramic library with nearly 500 new compositions (more than 1,500 samples) using high-throughput experiments involving ceramic synthesis and property screening. The large quantity of data generated (theory and experimental) in these tasks were processed by machine-learning techniques and identified trends were fed to the next iteration. In the end, we successfully discovered four compositions with near-zero hysteresis, yielding a world-record energy efficiency of 98.2% at an energy density of 3.0 J/cm 3 . Furthermore, our antiferroelectric ceramic capacitor reaches 79.5 million charge-discharge cycles lifetime, a factor of 80 enhancement over previous antiferroelectric ceramics with large hysteresis. These research accomplishments have not only met the milestones set in the SOPO, but also led to two patent filings, three journal publications (one of them was in Advanced Materials, impact factor 29.4), and nine oral presentations at various venues. Through the course of the project, three postdocs, four Ph.D. students, and one M.S. student were trained. In short, our project established a new methodology in searching next-generation functional ceramics on the fundamental side and discovered several high-efficiency antiferroelectric compositions for capacitors on the applied side. Once fabricated into the multilayer form for commercial applications, these ceramic capacitors can potentially enable the high temperature high power density DC-link capacitors that are critical for the next generation inverters in electric vehicles. The project also significantly contributed to the nation’s workforce development in the STEM fields.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Mechanical, Morphological, and Charge Transport Properties of NDI Polymers with Variable Built‐in Π‐Conjugation Lengths Probed by Simulation and Experiment

Abstract Mechanically deformable polymeric semiconductors are a key material for fabricating flexible organic thin‐film transistors (FOTFTs)—the building block of electronic circuits and wearable electronic devices. However, for many π‐conjugated polymers achieving mechanical deformability and efficient charge transport remains challenging. Here the effects of polymer backbone bending stiffness and film microstructure on mechanical flexibility and charge transport are investigated via experimental and computational methods for a series of electron‐transporting naphthalene diimide (NDI) polymers having differing extents of π‐conjugation. The results show that replacing increasing amounts of the π‐conjugated comonomer dithienylvinylene (TVT) with the π‐nonconjugated comonomer dithienylethane (TET) in the backbone of the fully π‐conjugated polymeric semiconductor, PNDI‐TVT 100 (yielding polymeric series PNDI‐TVT x , 100 ≥x≥ 0), lowers backbone rigidity, degree of texturing, and π–π stacking interactions between NDI moieties. Importantly, this comonomer substitution increases the mechanical robustness of PNDI‐TVT x while retaining efficient charge transport. Thus, reducing the TVT content of PNDI‐TVT x suppresses film crack formation and dramatically stabilizes the field‐effect electron mobility upon bending (e.g., 2 mm over 2000 bending cycles). This work provides a route to tune π–π stacking in π‐conjugated polymers while simultaneously promoting mechanical flexibility and retaining good carrier mobility in FOTFTs.

Chemistry↗

DOE OSTI2021

Polymorphism and Optoelectronic Properties in Crystalline Supramolecular Polymers

Supramolecular polymers can emulate some of the physical properties of covalent polymers but offer new opportunities given the possibility of designing monomers that will form highly ordered assemblies with defined shapes. Internally ordered supramolecular polymers formed through nucleation–elongation self-assembly are well-known but highly crystalline examples which exhibit important properties such as light harvesting, charge transport, and ferroelectricity are not common. We report here on a detailed study of supramolecular polymers formed in water by carboxylated naphtho-p-quinodimethane amphiphiles. We found that supramolecular polymerization of these amphiphiles in aqueous media yields crystalline assemblies with morphologies that included ribbons, helically rolled ribbons, and twisted filaments. This polymorphism was found to be controlled exclusively by repulsive electrostatic interactions controlled by the degree of protonation of the carboxylic head groups which also dictates the nature of supramolecular packing. Substoichiometric amounts of base lead to highly crystalline ribbons due to a decreased surface charge density and less electrostatic repulsion. Increasing deprotonation results in helically rolled ribbons with a different polymorph crystal lattice, whereas excessive deprotonation leads to twisted filaments with maximum surface charge density. Ribbons, helical rolled ribbons, and twisted filaments revealed an increasing red shift in their visible absorption maxima. These crystalline assemblies could be potential candidates for solar energy materials and photocatalytic systems.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Identifying High Ionic Conductivity Compositions of Ionic Liquid Electrolytes Using Features of the Solvation Environment

Binary mixtures of ionic liquids with molecular solvents are gaining interest in electrochemical applications due to the improvement in their performance over neat ionic liquids. Dilution with suitable molecular solvents can reduce the viscosity and facilitate faster diffusion of ions, thereby yielding substantially higher ionic conductivity than that for a pure ionic liquid. Although viscosity and diffusion coefficients typically behave as monotonic functions of concentration, ionic conductivity often passes through a peak value at an optimum molar ratio of the molecular solvent to the ionic liquid. The ionic conductivity maximum is generally explained in terms of a balance between the ease of charge transport and the concentration of the charge carriers. In this work, fluctuation in the local environment surrounding an ion is invoked as a plausible explanation for the ionic conductivity mechanism with a binary mixture of 1-ethyl-3-methylimidazolium tetrafluoroborate and ethylene glycol as an example. The magnitude of the dynamism in the local environment is captured by measuring the spatial and temporal features of the solvation environment. Standard deviation in the number of ions in the solvation environment serves as a spatial feature, while the cage correlation lifetimes for oppositely charged ions within the first solvation shell serve as a temporal feature. Large standard deviations in the cluster ion population and short cage correlation lifetimes are indicators of highly dynamic ionic environment at the molecular level and consequently yield high ionic conductivity. Such compositions were found to be in good agreement with the optimum ionic liquid mole fractions obtained through experimental measurement. Short cage correlation lifetimes enable the identification of optimum mixture compositions using simulation trajectories significantly shorter than those required to implement the Nernst–Einstein or Einstein formalisms for calculating ionic conductivity. We validated the applicability of this approach across force fields and in six ionic liquid-molecular solvent electrolytes formed with combination of cations, anions, and solvents. We offer a computationally efficient approach of screening ionic liquid-molecular solvent binary mixture electrolytes to identify molar ratios that yield high ionic conductivity.

25 ENERGY STORAGE↗

NASA NTRS1994

Proton-induced fragmentation of carbon at energies below 100 MeV

Radiation effects caused by single cosmic ray particles have been studied for many years in radiobiological experiments for different biological objects and biological end-points. Additionally, single event effects in microelectronic devices have gained large interest. There are two fundamental mechanisms by which a single particle can cause radiation effects. On the one hand, a cosmic ray ion with high linear energy transfer can deposit a high dose along its path. On the other hand, in a nuclear collision, a high dose can be deposited by short range particles emitted from the target nucleus. In low earth orbits a large contribution to target fragmentation events originates from trapped protons which are encountered in the South Atlantic Anomaly. These protons have energies up to a few hundred MeV. We study the fragmentation of C, O and Si nuclei - the target nuclei of biological material and microelectronic devices - in nuclear collisions. Our aim is to measure production cross sections, energy spectra, emission directions and charge correlations of the emitted fragments. The present knowledge concerning these data is rather poor. M. Alurralde et al. have calculated cross sections and average energies of fragments produced from Si using the cascade-evaporation model. D.M. Ngo et al. have used the semiempirical cross section formula of Silberberg and Tsao to calculate fragment yields and the statistical model of Goldhaber to describe the reaction kinematics. Cross sections used in these models have uncertainties within a factor of two. Our data will help to test and improve existing models especially for energies below 300 MeV/nucleon. Charge correlations of fragments emitted in the same interaction are of particular importance, since high doses can be deposited if more than one heavy fragment with a short range is produced.

Schmitz, M.↗

NASA NTRS2006

MISSE PEACE Polymers Atomic Oxygen Erosion Results

Forty-one different polymer samples, collectively called the Polymer Erosion and Contamination Experiment (PEACE) Polymers, have been exposed to the low Earth orbit (LEO) environment on the exterior of the International Space Station (ISS) for nearly 4 years as part of Materials International Space Station Experiment 2 (MISSE 2). The objective of the PEACE Polymers experiment was to determine the atomic oxygen erosion yield of a wide variety of polymeric materials after long term exposure to the space environment. The polymers range from those commonly used for spacecraft applications, such as Teflon (DuPont) FEP, to more recently developed polymers, such as high temperature polyimide PMR (polymerization of monomer reactants). Additional polymers were included to explore erosion yield dependence upon chemical composition. The MISSE PEACE Polymers experiment was flown in MISSE Passive Experiment Carrier 2 (PEC 2), tray 1, on the exterior of the ISS Quest Airlock and was exposed to atomic oxygen along with solar and charged particle radiation. MISSE 2 was successfully retrieved during a space walk on July 30, 2005, during Discovery s STS-114 Return to Flight mission. Details on the specific polymers flown, flight sample fabrication, pre-flight and post-flight characterization techniques, and atomic oxygen fluence calculations are discussed along with a summary of the atomic oxygen erosion yield results. The MISSE 2 PEACE Polymers experiment is unique because it has the widest variety of polymers flown in LEO for a long duration and provides extremely valuable erosion yield data for spacecraft design purposes.

deGroh, Kim, K.↗

DOE OSTI2022

Surface coating by mechanofusion modulates bulk charging pathways and battery performance of Ni-rich layered cathodes

Ni-rich layered oxides as high-capacity battery cathodes suffer from degradation at high voltages. Here, we utilize a dry surface modification method, mechanofusion (MF), to achieve enhanced battery stability. The simplicity, high yield, and flexibility make it cost-effective and highly attractive for processing at the industrial scale. The underlying mechanisms responsible for performance improvement are unveiled by a systematic study combining multiple probes, e.g., 3D nano-tomography, spectroscopic imaging, in situ synchrotron diffraction, and finite element analysis (FEA). MF affects the bulk crystallography by introducing partially disordered structure, microstrain, and local lattice variation. Furthermore, the crack initiation and propagation pattern during delithiation are regulated and the overall mechanical fracture is reduced after such surface coating. We validate that MF can alter the bulk charging pathways. Such a synergic effect between surface modification and bulk charge distribution is fundamentally important for designing next-generation battery cathode materials.

25 ENERGY STORAGE↗

DOE OSTI2020

Mechanisms of Enhanced Antibacterial Activity by Reduced Chitosan-Intercalated Nontronite

Previous studies have documented the antibacterial activity of certain iron-containing clays. However, the repulsion between negatively charged bacteria and the clay surface makes this process inefficient. The objective of this study is to improve the bactericidal efficiency of clays by reversing their surface charge from negative to positive. To achieve this objective, here positively charged chitosan, a nontoxic and biodegradable polymer, was intercalated into nontronite NAu-2. Chitosan-intercalated NAu-2 (C-NAu-2) was chemically reduced to obtain reduced C-NAu-2 (rC-NAu-2). Relative to reduced nontronite (rNAu-2), the antibacterial activity of rC-NAu-2 is higher and more persistent over a pH range of 6–8. The close spatial association between positively charged rC-NAu-2 and negatively charged bacteria increases the chances of cell membrane attack by extracellular ROS, the influx of soluble Fe 2+ into the bacterial cell, and the yield of intracellular ROS. All these factors contribute to the enhanced antibacterial activity of rC-NAu-2. In contrast to rNAu-2 treated E. coli cells, where membrane damage and intracellular ROS/Fe accumulation are restricted to the polar regions, the close bacteria–clay association in rC-NAu-2 results in nonselective membrane damage and more uniform intracellular ROS/Fe distribution across whole bacterial cells. These results advance the antibacterial model by highlighting the importance of bacteria–clay interactions to the antibacterial activity of Fe-bearing clays.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Valence-free open nanoparticle superlattices

A cornerstone of advanced materials design is establishing a framework for assembling nanoparticle superstructures with tailored symmetries. A longstanding challenge has been assembling diamond-like superstructures for photonic devices. Traditionally, such open superstructures require functionalized nanoparticles with directional or anisotropic interactions, reminiscent of valence bonding in a diamond. Here, we present a robust strategy for assembling valence-free nanoparticles into a broad array of cubic superstructures. By grafting nanoparticles with oppositely charged, end-functionalized water-soluble polymers of adjustable molecular weight, we gain control over electrostatic interactions and conformational constraints. This unified approach yields lattices analogous to rock salt, CsCl, zinc-blende, diamond, and the rare simple cubic phase, with tunable lattice constants. Theoretical models and simulations elucidate the underlying interactions, providing a framework for engineering valence-free nanoparticle superlattices.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Templates of expected measurement uncertainties

The covariance committee of CSEWG (Cross Section Evaluation Working Group) established templates of expected measurement uncertainties for neutron-induced total, (n,γ), neutron-induced charged-particle, and (n,xn) reaction cross sections as well as prompt fission neutron spectra, average prompt and total fission neutron multiplicities, and fission yields. Templates provide a list of what uncertainty sources are expected for each measurement type and observable, and suggest typical ranges of these uncertainties and correlations based on a survey of experimental data, associated literature, and feedback from experimenters. Information needed to faithfully include the experimental data in the nuclear-data evaluation process is also provided. These templates could assist (a) experimenters and EXFOR compilers in delivering more complete uncertainties and measurement information relevant for evaluations of new experimental data, and (b) evaluators in achieving a more comprehensive uncertainty quantification for evaluation purposes. This effort might ultimately lead to more realistic evaluated covariances for nuclear-data applications. In this topical issue, we cover the templates coming out of this CSEWG effort–typically, one observable per paper. This paper here prefaces this topical issue by introducing the concept and mathematical framework of templates, discussing potential use cases, and giving an example of how they can be applied (estimating missing experimental uncertainties of 235 U(n,f) average prompt fission neutron multiplicities), and their impact on nuclear-data evaluations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1981

Secondary Electron Emission Yields

The secondary electron emission (SEE) characteristics for a variety of spacecraft materials were determined under UHV conditions using a commercial double pass CMA which permits sequential Auger electron electron spectroscopic analysis of the surface. The transparent conductive coating indium tin oxide (ITO) was examined on Kapton and borosilicate glass and indium oxide on FED Teflon. The total SEE coefficient ranges from 2.5 to 2.6 on as-received surfaces and from 1.5 to 1.6 on Ar(+) sputtered surfaces with 5 nm removed. A cylindrical sample carousel provides normal incidence of the primary beam as well as a multiple Faraday cup measurement of the approximately nA beam currents. Total and true secondary yields are obtained from target current measurements with biasing of the carousel. A primary beam pulsed mode to reduce electron beam dosage and minimize charging of insulating coatings was applied to Mg/F2 coated solar cell covers. Electron beam effects on ITO were found quite important at the current densities necessary to do Auger studies.

Krainsky, I.↗

NASA NTRS1983

A charge-coupled device observation of Charon

Images of Pluto which were obtained with a charge-coupled device (CCD) detector show an elongation caused by its satellite, Charon. Analysis of these images separates the planet and satellite components, and yields a Pluto/Charon brightness ratio of 5.5.

Reitsema, H. J.↗

NASA NTRS2009

A Theory for Rapid Charging Events on the International Space Station

The Floating Potential Measurement Unit (FPMU) has detected high negative amplitude rapid charging events (RCEs) on the International Space Station (ISS) at the morning terminator. These events are larger and more rapid than the ISS morning charging events first seen by the Floating Potential Probe (FPP) on ISS in 2001. In this paper, we describe a theory for the RCEs that further elucidates the nature of spacecraft charging in low Earth orbit (LEO) in a non-equilibrium situation. The model accounts for all essential aspects of the newly discovered phenomenon, and is amenable to testing on-orbit. Predictions of the model for the amplitude of the ISS RCEs for the full set of ISS solar arrays and for the coming solar cycle are given, and the results of modeling by the Environments WorkBench (EWB) are compared to the observed events to show that the phenomenon can be explained by solar array driven charging. The situation is unique because the coverglasses have not yet reached equilibrium with the surrounding plasma during the RCEs. Finally, a prescription for further use of the ISS for investigating fundamental plasma physics in LEO is given. Already, plasma and charging monitoring instruments on ISS have taught us much about spacecraft interactions with the dense LEO plasma, and we expect they will continue to yield more valuable science when the Japanese Experiment Module (JEM) is in place.

Ferguson, Dale C.↗

DOE OSTI2024

Precise Measurement of the Neutron Magnetic Form Factor Using Super-BigBite Spectrometer at Jefferson Lab

The GMn experiment (E12-09-019) was conducted at Jefferson Laboratory from late 2021 into early 2022. The goal was to make high-precision measurement of the neutron’s magnetic form factor (GMn) at multiple kinematic points, including Q2 = 3.5, 4.5, 6.5, 8.5, 10, 12, 13.5, 16, and 18 (GeV/c)2. Limited data exist for GMn in the region up to about Q2 = 10 (GeV/c)2, with existing data having large systematic uncertainty. In this experiment, the ratio method was employed to reduce systematic uncertainty by measuring the ratio of neutron and proton yields. The experiment took place at Jefferson Laboratory in Hall A, where the BigBite spectrometer was used to detect the scattered electrons, while the HCal in the SuperBigbite spectrometer was used to detect both neutrons and protons. The protons were deflected slightly upwards with the use of a large-aperture dipole magnet named BigBen, allowing for enhanced particle identification. Extraction of GMn requires taking the ratio of proton and neutron yields. Analysis efforts are still currently underway to refine corrections to the data, including detector efficiencies, radiative corrections, neutron and proton mass identification, and charge exchange.

Lashley-Colthirst, Nathaniel↗

NASA NTRS2000

Magnetic Flux Compression Concept for Nuclear Pulse Propulsion and Power

The desire for fast, efficient interplanetary transport requires propulsion systems having short acceleration times and very high specific impulse attributes. Unfortunately, most highly efficient propulsion systems which are within the capabilities of present day technologies are either very heavy or yield very low impulse such that the acceleration time to final velocity is too long to be of lasting interest, One exception, the nuclear thermal thruster, could achieve the desired acceleration but it would require inordinately large mass ratios to reach the range of desired final velocities. An alternative approach, among several competing concepts that are beyond our modern technical capabilities, is a pulsed thermonuclear device utilizing microfusion detonations. In this paper, we examine the feasibility of an innovative magnetic flux compression concept for utilizing microfusion detonations, assuming that such low yield nuclear bursts can be realized in practice. In this concept, a magnetic field is compressed between an expanding detonation driven diamagnetic plasma and a stationary structure formed from a high temperature superconductor (HTSC). In general, we are interested in accomplishing two important functions: (1) collimation of a hot diamagnetic plasma for direct thrust production; and (2) pulse power generation for dense plasma ignition. For the purposes of this research, it is assumed that rnicrofusion detonation technology may become available within a few decades, and that this approach could capitalize on recent advances in inertial confinement fusion ICF) technologies including magnetized target concepts and antimatter initiated nuclear detonations. The charged particle expansion velocity in these detonations can be on the order of 10 (exp 6)- 10 (exp 7) meters per second, and, if effectively collimated by a magnetic nozzle, can yield the Isp and the acceleration levels needed for practical interplanetary spaceflight. The ability to ignite pure fusion micro-bursts with reasonable levels of input energy is an equally challenging scientific problem. It remains to be seen, however, whether an effective ignition driver can be developed which meets the requirements for practical spaceflight application (namely high power density, compactness, low weight, and low cost). In this paper, system level performance and design issues are examined including generator performance, magnetic flux compression processes, magnetic diffusion processes, high temperature superconductor (HTSC) material properties, plasmadynamic processes, detonation plasma expansion processes, magnetohydrodynamic instabilities, magnetic nozzle performance, and thrust production performance. Representative generator performance calculations based on a simplified skin layer formulation are presented as well as the results of exploratory small-scale laboratory experiments on magnetic flux diffusion in HTSC materials. In addition, planned follow-on scientific feasibility experiments are described which utilize high explosive detonations and high energy gas discharges to simulate the plasma conditions associated with thermonuclear micro-detonations.

Litchford, Ronald J.↗

DOE OSTI2021

Efficacy of the Method of Four Coefficients to Determine Charge-Carrier Scattering

The investigation of the electronic properties of semiconductors from transport measurements (i.e., resistivity, Hall, and Seebeck coefficient measurements) is challenging due to the averaging of charge-carrier dynamics inherent in such measurements. Here, we investigate the incorporation of a fourth measurement of electronic transport, the Nernst coefficient, into the analysis, termed the method of four coefficients. This approach yields the Fermi level, effective mass, scattering exponent, and relaxation time prefactor. We begin with a review of the underlying mathematics and investigate the mapping between the four-dimensional material property and transport coefficient spaces. We then investigate how the traditional single-parabolic band method yields a single, potentially incorrect point on the solution subspace. This uncertainty can be resolved through Nernst coefficient measurements and we map the span of the ensuing subspace. We conclude with an investigation of how sensitive the analysis of transport coefficients is to experimental error for different sample types.

charge carriers↗