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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Helicon Wave Physics Impacts on Electrodeless Thruster Design

Effective generation of helicon waves for high density plasma sources is determined by the dispersion relation and plasma power balance. Helicon wave plasma sources inherently require an applied magnetic field of .01-0.1 T, an antenna properly designed to couple to the helicon wave in the plasma, and an rf power source in the 10-100 s of MHz, depending on propellant choice. For a plasma thruster, particularly one with a high specific impulse (>2000 s), the physics of the discharge would also have to address the use of electron cyclotron resonance (ECR) heating and magnetic expansion. In all cases the system design includes an optimized magnetic field coil, plasma source chamber, and antenna. A preliminary analysis of such a system, calling on experimental data where applicable and calculations where required, has been initiated at Glenn Research Center. Analysis results showing the mass scaling of various components as well as thruster performance projections and their impact on thruster size are discussed.

Gilland, James H.↗
NASA NTRS2007

Effect of Electron Beam Freeform Fabrication (EBF3) Processing Parameters on Composition of Ti-6-4

The Electron Beam Freeform Fabrication (EBF3) process developed at NASA Langley Research Center was evaluated using a design of experiments approach to determine the effect of processing parameters on the composition and geometry of Ti-6-4 deposits. The effects of three processing parameters: beam power, translation speed, and wire feed rate, were investigated by varying one while keeping the remaining parameters constant. A three-factorial, three-level, fully balanced mutually orthogonal array (L27) design of experiments approach was used to examine the effects of low, medium, and high settings for the processing parameters on the chemistry, geometry, and quality of the resulting deposits. Single bead high deposits were fabricated and evaluated for 27 experimental conditions. Loss of aluminum in Ti-6-4 was observed in EBF3 processing due to selective vaporization of the aluminum from the sustained molten pool in the vacuum environment; therefore, the chemistries of the deposits were measured and compared with the composition of the initial wire and base plate to determine if the loss of aluminum could be minimized through careful selection of processing parameters. The influence of processing parameters and coupling between these parameters on bulk composition, measured by Direct Current Plasma (DCP), local microchemistries determined by Wavelength Dispersive Spectrometry (WDS), and deposit geometry will also be discussed.

Lach, Cynthia L.↗
NASA NTRS2009

Differential InP HEMT MMIC Amplifiers Embedded in Waveguides

Monolithic microwave integrated-circuit (MMIC) amplifiers of a type now being developed for operation at frequencies of hundreds of gigahertz contain InP high-electron-mobility transistors (HEMTs) in a differential configuration. The differential configuration makes it possible to obtain gains greater than those of amplifiers having the single-ended configuration. To reduce losses associated with packaging, the MMIC chips are designed integrally with, and embedded in, waveguide packages, with the additional benefit that the packages are compact enough to fit into phased transmitting and/or receiving antenna arrays. Differential configurations (which are inherently balanced) have been used to extend the upper limits of operating frequencies of complementary metal oxide/semiconductor (CMOS) amplifiers to the microwave range but, until now, have not been applied in millimeter- wave amplifier circuits. Baluns have traditionally been used to transform from single-ended to balanced configurations, but baluns tend to be lossy. Instead of baluns, finlines are used to effect this transformation in the present line of development. Finlines have been used extensively to drive millimeter- wave mixers in balanced configurations. In the present extension of the finline balancing concept, finline transitions are integrated onto the affected MMICs (see figure). The differential configuration creates a virtual ground within each pair of InP HEMT gate fingers, eliminating the need for inductive vias to ground. Elimination of these vias greatly reduces parasitic components of current and the associated losses within an amplifier, thereby enabling more nearly complete utilization of the full performance of each transistor. The differential configuration offers the additional benefit of multiplying (relative to the single-ended configuration) the input and output impedances of each transistor by a factor of four, so that it is possible to use large transistors that would otherwise have prohibitively low impedances. Yet another advantage afforded by the virtual ground of the differential configuration is elimination of the need for a ground plane and, hence, elimination of the need for back-side metallization of the MMIC chip. In turn, elimination of the back-side metallization simplifies fabrication, reduces parasitic capacitances, and enables mounting of the MMIC in the electric-field plane ("E-plane") of a waveguide. E-plane mounting is consistent with (and essential for the utility of) the finline configuration, in which transmission lines lie on a dielectric sheet in the middle of a broad side of the waveguide. E-plane mounting offers a combination of low loss and ease of assembly because no millimeter-wave wire bonds or transition substrates are required. Moreover, because there is no ground plane behind the MMIC, the impedance for the detrimental even (single-ended) mode is high, suppressing coupling to that mode. Still another advantage of E-plane mounting is that the fundamental waveguide mode is inherently differential, eliminating the need for a balun to excite the differential mode.

Kangaslahti, Pekka↗
DOE OSTI2023

QMMM 2023: A program for combined quantum mechanical and molecular mechanical modeling and simulations

Combined quantum mechanical and molecular mechanical (QM/MM) methods play an important role in multiscale modeling and simulations. QMMM 2023 is a general-purpose program for single-point calculations, geometry optimizations, transition-state optimizations, and molecular dynamics (MD) at the QM/MM level. It calls a QM package and an MM package to perform the required single-level calculations and combines them into a QM/MM energy by a variety of schemes. QMMM 2023 supports GAMESS-US, Gaussian, and ORCA as QM packages and Tinker as the MM package. Four types of treatments are available for embedding the QM subsystem in the MM environment: mechanical embedding with gas-phase calculations of the QM region, electronic embedding that allows polarization of the QM region by the MM environment, polarizable embedding for mutual polarization of the QM and MM regions, and flexible embedding for both mutual polarization and partial charge transfer between the QM and MM regions. Boundaries between QM and MM regions that pass through covalent bonds can be treated by several methods, including the redistributed charge (RC) scheme, redistributed charge and dipole (RCD) scheme, balanced-RC scheme, balanced-RCD scheme, screened charge scheme that takes account of charge penetration effects, and smeared charge scheme that delocalizes the MM charges near the QM–MM boundary. Geometry optimization can be done using the optimizer implemented in QMMM 2023 or the Berny optimizer in Gaussian through external calls to Gaussian. Molecular dynamics simulations can be performed at the pure-MM level, pure-QM level, fixed-partitioning QM/MM level, and adaptive-partitioning QM/MM level. As a result, the adaptive-partitioning treatments permit on-the-fly relocation of the QM–MM boundary by dynamically reclassifying atoms or groups into the QM or MM subsystems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Extreme tensile strain states in La 0.7 Ca 0.3 MnO 3 membranes

A defining feature of emergent phenomena in complex oxides is the competition and cooperation between ground states. In manganites, the balance between metallic and insulating phases can be tuned by the lattice; extending the range of lattice control would enhance the ability to access other phases. We stabilized uniform extreme tensile strain in nanoscale La 0.7 Ca 0.3 MnO 3 membranes, exceeding 8% uniaxially and 5% biaxially. Uniaxial and biaxial strain suppresses the ferromagnetic metal at distinctly different strain values, inducing an insulator that can be extinguished by a magnetic field. Electronic structure calculations indicate that the insulator consists of charge-ordered Mn 4+ and Mn 3+ with staggered strain-enhanced Jahn-Teller distortions within the plane. This highly tunable strained membrane approach provides a broad opportunity to design and manipulate correlated electron states.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Vertical organic electrochemical transistors for complementary circuits

Abstract Organic electrochemical transistors (OECTs) and OECT-based circuitry offer great potential in bioelectronics, wearable electronics and artificial neuromorphic electronics because of their exceptionally low driving voltages (<1 V), low power consumption (<1 µW), high transconductances (>10 mS) and biocompatibility 1–5 . However, the successful realization of critical complementary logic OECTs is currently limited by temporal and/or operational instability, slow redox processes and/or switching, incompatibility with high-density monolithic integration and inferior n-type OECT performance 6–8 . Here we demonstrate p- and n-type vertical OECTs with balanced and ultra-high performance by blending redox-active semiconducting polymers with a redox-inactive photocurable and/or photopatternable polymer to form an ion-permeable semiconducting channel, implemented in a simple, scalable vertical architecture that has a dense, impermeable top contact. Footprint current densities exceeding 1 kA cm −2 at less than ±0.7 V, transconductances of 0.2–0.4 S, short transient times of less than 1 ms and ultra-stable switching (>50,000 cycles) are achieved in, to our knowledge, the first vertically stacked complementary vertical OECT logic circuits. This architecture opens many possibilities for fundamental studies of organic semiconductor redox chemistry and physics in nanoscopically confined spaces, without macroscopic electrolyte contact, as well as wearable and implantable device applications.

Science & Technology - Other Topics↗
NASA NTRS1984

Chemical substitution in silica polymorph

Ion and electron probe analyses are presented for trace elements (Al, Na, K, Li, Ti) in quartz, tridymite, cristobalite and melanophlogite. Quartz and melanophlogite show low levels of trace elements relative to tridymite and cristobalite. The previously determined alpha-beta inversion temperature decreases as the Al content of quartz increases. For all silica polymorphs, Al is greater than or equal to Na + K + Li on an atom basis, with the excess Al probably balanced by H.

Smith, J. V.↗
NASA NTRS2008

Residual Strahls in Solar Wind Electron Dropouts: Signatures of Magnetic Connection to the Sun, Disconnection, or Interchange Reconnection?

A recent assessment of suprathermal electron heat flux dropouts (HFDs) in the solar wind eliminated 90% as possible signatures of field lines disconnected from the Sun at both ends (Pagel et al., 2005b). The primary reason for elimination was the presence of a residual field-aligned strahl presumably signaling field lines connected to the Sun. Using high-time-resolution data from the Wind spacecraft, this paper tests whether the residual strahls were an artifact of averaging over pitch angle distributions (PADs) with and without strahls. An automated search for PADs without strahls (flat PADs) yields an occurrence rate of only 14% within HFDs, but a detailed case study shows that these flat PADs are imbedded within intervals of nearly flat PADs, that is, PADS with residual strahls that cannot be artifacts of averaging. An attractive alternative is that the residual strahls result from intermixing of originally back-scattered fluxes (haloes) of unequal intensities on field lines that have either disconnected or interchange reconnected at the Sun. A reevaluation of reported streaming of higher-energy electrons in HFDs suggests a similar cause. While the high-time-resolution data show high variability of PAD profiles within HFDs, this paper reopens the possibility that a substantial fraction signal disconnection or interchange reconnection. Estimated occurrence rates of fields having undergone these processes based upon published HFD rates are of the same order of magnitude as the surprisingly low values of 1-5% recently predicted by a model of a balanced heliospheric flux budget (Owens and Crooker, 2007).

Crooker, N. U.↗
DOE OSTI2022

An Anthradithiophene Donor Polymer for Organic Solar Cells with a Good Balance between Efficiency and Synthetic Accessibility

Over the past few years, the organic photovoltaics technology (OPV) has reached remarkable power conversion efficiencies (PCEs), mostly thanks to the advent of nonfullerene acceptors as well as to a high level of materials engineering. Yet, the complex materials syntheses behind these results ultimately limit technological readiness. The quest for scalable organic compounds offering high PCE and reasonably low synthetic complexity is a must to close the gap between laboratory R&D and commercial products. The synthesis and full characterization of a new conjugated polymer called PATTD is reported herein, based on a novel anthradithiophene as an electron–rich building block coupled with a commercially available dithienylbenzodithiophenedione as an electron–withdrawing comonomer. Its photovoltaic properties are studied in blends with IT–4F and IDIC as acceptors. PATTD:IT–4F–based photovoltaic devices exhibit a PCE approaching 10% and over 2300 h shelf–life stability. Finally, the PATTD scalability factor (SF), together with the PATTD–based photovoltaic performances, lead to a PCE/SF value equal to 0.297, placing such devices into the innermost circle of OPV materials, achieving one of the best compromises between efficiency and synthetic complexity and at the same time offering promising industrial perspectives.

14 SOLAR ENERGY↗
DOE OSTI2020

Highly Emissive Semi-Ladder-Type Copolymers, Aggregation State, and Solution-Processed Organic Light-Emitting Transistor

An organic light-emitting transistor (OLET) integrates the logic function of a field-effect transistor (FET) with electroluminescence of a light-emitting diode (LED) into a single device. This has the potential to play an important role in smart displays, electrically pumped organic laser, and other flexible electronic devices. For achieving high-performance solution-processed OLET, three semiladder copolymers—TPTI-CC, TPTI-C, and TPTI-F—were developed in this study. It was found that variation in the chemical structure lead to significant differences in energy level, emission color, and intermolecular aggregation. High photoluminescence quantum yields (PLQY) was obtained in these three polymers. Solution-processed trilayered OLET devices were fabricated, which exhibited strong electroluminescence, balanced charge mobility, and external quantum efficiency (EQE) of 2.8%.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A Rhenium Bis -tetramethylphenanthroline Catalyst for CO 2 Reduction to Formate

Catalytic CO 2 reduction reactions featuring high selectivity toward formate are relatively rare. In some homogeneous molecular CO 2 -reducing electrocatalysis, using triethylamine (TEA) and isopropanol (IPA) as additives improves catalytic performance in producing formate. In this paper, we investigate whether the rhenium(I) bis-diimine dicarbonyl complexes, cis-[Re(N^N) 2 (CO) 2 ] + , where N^N is 2,2’-bipyridine ([1] + ) or 3,4,7,8-tetramethyl-1,10-phenanthroline ([2] + ), are capable of electrocatalytically reducing CO 2 to formate in acetonitrile containing TEA and IPA. Catalyst [1] + was ineffective at CO 2 reduction, yielding formate quantities comparable to those produced in experiments without the catalyst. Catalyst [2] + , however, is a promising electrocatalyst for the CO 2 reduction reaction in the presence of TEA and IPA, with formate being produced in millimolar concentrations (10.5 mM), as detected by 1 H NMR spectroscopy after 6 h electrolysis (formate Faradaic efficiency = 11%, with the major balance going to H 2 ). Upon more detailed examination, [2] + exhibited a turnover frequency (TOF) of 12 s –1 for formate, comparable to other leading molecular catalysts that competently execute this reduction. Combinations of spectroscopy, electrochemistry, and theory were used to better understand the mechanism of CO 2 reduction by [2] + . Fourier transform infrared spectroelectrochemical (FTIR-SEC) data provided no evidence for CO ligand dissociation or substitution upon one- and two-electron reduction of [2] + , suggesting that a mechanism distinct from one that is metal-hydride-based is operative in catalysis. Computational studies guide mechanistic investigations toward the proposed formation of a hydrophenanthroline-based intermediate responsible for hydride transfer to CO 2 and electrocatalytic formate production from [2] + .

Beverages↗
NASA NTRSDate not supplied

Human Mars Surface Mission Surface Power Impacts on Timeline and Traverse Capabilities

The National Aeronautics and Aerospace Administration’s (NASA) Mars Architecture Team (MAT) developed a concept for power management operations to support a thirty-day, minimal infrastructure Mars surface mission. The surface elements in this minimal surface mission concept include three landers as platforms for surface operations, a crewed Mars ascent vehicle (MAV), an unpressurized rover, and a pressurized rover where the crew will live for the duration of the thirty-day mission. In this analysis the power system is a ten kilowatt fission power system, which has been selected for its resiliency to dust storms, and will provide power for all aspects of the surface mission including thermal management of propellant and electronic systems, communications, and battery recharge of mobile surface assets. Developing a power management plan with the consideration of the various elements and mission phases helps define the traverse and exploration capabilities for the crew in the pressurized rover. Also, considerations need to be made for the different power requirements for each phase of the surface mission including arrival, offload, surface exploration, launch preparation, and departure. The described analysis aims to achieve a balance of maintaining power to critical systems while enabling desired traverse and exploration range in the pressurized rover. Additionally, a few enhancing technologies were explored that could expand the power capability if the additional capacity is necessary in the future. This study is used as a baseline to understand the constraints on all aspects of the surface mission for a minimal surface infrastructure human Mars campaign if a ten-kilowatt fission surface power system is available on the surface.

Michael B. Chappell↗
NASA NTRSDate not supplied

Human Mars Mission Surface Power Impacts on Timeline and Traverse Capabilities

The National Aeronautics and Aerospace Administration’s (NASA) Mars Architecture Team (MAT) developed a concept for power management operations to support a thirty-day, minimal infrastructure Mars surface mission. The surface elements in this minimal surface mission concept include three landers as platforms for surface operations, a crewed Mars ascent vehicle (MAV), an unpressurized rover, and a pressurized rover where the crew will live for the duration of the thirty-day mission. In this analysis the power system is a ten kilowatt fission power system, which has been selected for its resiliency to dust storms, and will provide power for all aspects of the surface mission including thermal management of propellant and electronic systems, communications, and battery recharge of mobile surface assets. Developing a power management plan with the consideration of the various elements and mission phases helps define the traverse and exploration capabilities for the crew in the pressurized rover. Also, considerations need to be made for the different power requirements for each phase of the surface mission including arrival, offload, surface exploration, launch preparation, and departure. The described analysis aims to achieve a balance of maintaining power to critical systems while enabling desired traverse and exploration range in the pressurized rover. Additionally, a few enhancing technologies were explored that could expand the power capability if the additional capacity is necessary in the future. This study is used as a baseline to understand the constraints on all aspects of the surface mission for a minimal surface infrastructure human Mars campaign if a ten-kilowatt fission surface power system is available on the surface.

Michael B Chappell↗
DOE OSTI2022

Dual Energy Electron Storage Ring Cooler Design for Relativistic Ion Beams

Collider experiments demand small beam emittances in order to achieve high luminosity. For light particles such as electrons, there exists a natural synchrotron radiation damping resulting in low emittance beams at equilibrium. In the case of heavy particle beams such as proton or ion beams, there is no significant synchrotron radiation damping effect and some cooling mechanism is needed to get to low emittance beams. A dual energy storage ring cooler is a novel concept proposed to cool hadron beams at higher energies. The design consists of two rings: a low energy ring and a high energy ring connected by the energy recovering linac (ERL) that provides the necessary energy difference. The low energy ring has an electron cooler where the cooling interaction takes place between the electron and hadron beams whereas electron beam going through the high energy ring undergoes synchrotron radiation damping. In this document, we present a possible design of a dual energy storage ring-based electron cooler for high energy proton beam cooling suitable for the Electron Ion Collider (EIC) to be built at Brookhaven National laboratory (BNL). A special feature of a dual energy storage ring cooler design is that the electron beam energy in the low energy section must be tuned to match the hadron beam velocity in the cooling section, and the electron beam energy in the high energy section is chosen to provide an adequate synchrotron radiation damping. In addition, the ring optics design is carried out considering chromaticity correction, dynamic aperture, momentum aperture, beam lifetime, radiation damping and the intrabeam scattering effect. Finally, the cooling performance is simulated for 275 GeV proton beams at the top energy of the EIC. In such a collider it is desirable to cool the hadron beams to balance the emittance growth rates due to intra-beam scattering (IBS) to maintain a high luminosity during the collision runs. In such a situation, a dual energy storage ring based cooler could be a practical approach to be used for hadron beam cooling.

Dhital, Bhawin↗
DOE OSTI2023

Theory of sigma bond resonance in flat boron materials

Abstract In chemistry, theory of aromaticity or π bond resonance plays a central role in intuitively understanding the stability and properties of organic molecules. Here we present an analogue theory for σ bond resonance in flat boron materials, which allows us to determine the distribution of two-center two-electron and three-center two-electron bonds without quantum calculations. Based on this theory, three rules are proposed to draw the Kekulé-like bonding configurations for flat boron materials and to explore their properties intuitively. As an application of the theory, a simple explanation of why neutral borophene with ~1/9 hole has the highest stability and the effect of charge doping on borophene’s optimal hole concentration is provided with the assumption of σ and π orbital occupation balance. Like the aromaticity theory for carbon materials, this theory greatly deepens our understanding on boron materials and paves the way for the rational design of various boron-based materials.

36 MATERIALS SCIENCE↗
NASA NTRS1980

Ion energetics in the Venus nightside ionosphere

Consideration is given to the energetics of the ion gas flowing across the terminator into the Venus nightside ionosphere. Expressions are derived for the transport time of the ion gas (through 1 radian in solar zenith angle), the heat transfer time from the hot electron gas to the ions of an amount equal to the ion thermal energy), and the time required for vertical heat conduction to remove the internal energy of the ion column above a reference altitude, and it is shown that the time constant for transport is an order of magnitude smaller than the electron heat transfer time and comparable to the conduction time, and thus the ion gas is not a vertical conductive steady state. The conversion of bulk flow ion kinetic energy into heat is suggested as the mechanism responsible for the maintenance of the nightside ion temperatures at their observed values. It is thus concluded that the flow of the ion gas is quasi-adiabatic, and that steady-state, vertical, one dimensional energy balance models must be used with caution in the Venus ionosphere.

Knudsen, W. C.↗
NASA NTRS1985

System level electrochemical principles

The traditional electrochemical storage concepts are difficult to translate into high power, high voltage multikilowatt storage systems. The increased use of electronics, and the use of electrochemical couples that minimize the difficulties associated with the corrective measures to reduce the cell to cell capacity dispersion were adopted by battery technology. Actively cooled bipolar concepts are described which represent some attractive alternative system concepts. They are projected to have higher energy densities lower volumes than current concepts. They should be easier to scale from one capacity to another and have a closer cell to cell capacity balance. These newer storage system concepts are easier to manage since they are designed to be a fully integrated battery. These ideas are referred to as system level electrochemistry. The hydrogen-oxygen regenerative fuel cells (RFC) is probably the best example of the integrated use of these principles.

Thaller, L. H.↗
NASA NTRS1987

Feasibility of hydroxyl concentration measurements by laser-saturated fluorescence in high-pressure flames

The effect of pressure on the laser-saturated fluorescence method for measuring OH concentration in high-pressure flames is studied using calculations for the burned-gas region of a stoichiometric H2-O2 flame at 2000 K. A numerical model of the excitation dynamics of OH is developed to explore the validity of the balanced cross-rate model at higher pressures. It is shown that depopulation of the laser-coupled levels is sensitive to collisions which depopulate v-double-prime (VDP) = 0 and to rate coefficients for rotational transfer in the ground state which are smaller than those in the excited state. In particular, it is shown that the depopulation of VDP = 0, and hence the laser-coupled levels, depends on the probability of electronic quenching to vibrational levels for which VDP is greater than 0 and vibrational relaxation to VDP = 0.

Carter, Campbell D.↗