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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Few layered vanadyl phosphate nano sheets-MWCNT hybrid as an electrode material for supercapacitor application

It have been already seen that 2-dimensional nano materials are the suitable choice for the supercapacitor application due to their large specific surface area, electrochemical active sites, micromechanical flexibility, expedite ion migration channel properties. Free standing hybrid films of functionalized MWCNT (– COOH group) and α-Vanadyl phosphates (VOPO{sub 4}2H{sub 2}O) are prepared by vacuum filtering. The surface morphology and microstructure of the samples are studied by transmission electron microscope, field emission scanning electron microscope, XRD, Electrochemical properties of hybrid films have been investigated systematically in 1M Na{sub 2}SO{sub 4} aqueous electrolyte. The hybrid material exhibits a high specific capacitance 236 F/g with high energy density of 65.6 Wh/Kg and a power density of 1476 W/Kg.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Inverter Intensive Hybrid Power Plant Modeling with Small-Signal Stability Augmentation through Flexible Operation Mode Transition

Hybrid power plants (HPPs) prompt the penetration of inverter-based renewable energy sources (RES) in transmission systems; however, given their low-inertia nature, HPPs are dominated by power electronic inverters, so there are inevitable challenges in system stability when increasing numbers of HPPs are integrated into the modern power grids. To boost the penetration level of HPPs without jeopardizing system stability, it is desirable to equip them with operational characteristics (i.e., grid-forming capabilities) that are comparable to those of conventional power plants dominated by synchronous generators (SGs). In this paper, a holistic model of inverter intensive HPP is derived and a bi-level hierarchical control is developed to allow HPPs to flexibly switch among the designed operation modes (i.e., P-Q, P-V, and isochronous modes). Compared to SGs, which have limited controllability, the operation mode of each HPP could vary as requested. Such flexible mode transitions could be integrated into the secondary plant-level control and be leveraged as an additional control degree to further augment system stability. Further, the system small-signal stability margin is quantified with varying HPP operation modes. More importantly, modal analysis is thereby conducted to quantify the impacts of mode transition on the system oscillatory modes. The effectiveness of the proposed HPP bi-level hierarchical control is verified using extensive case studies based on the simplified real-world island power grid, and the results validate that the system small-signal stability margin can be enhanced with the additional degree of control flexibility enabled by HPP operation mode transition. The real-time hardware-in-the-loop (HIL) results are also provided to verify the proposed method.

grid-forming control↗
DOE OSTI2014

Quantitative in-situ scanning electron microscope pull-out experiments and molecular dynamics simulations of carbon nanotubes embedded in palladium

In this paper, we present our results of experimental and numerical pull-out tests on carbon nanotubes (CNTs) embedded in palladium. We prepared simple specimens by employing standard silicon wafers, physical vapor deposition of palladium and deposition of CNTs with a simple drop coating technique. An AFM cantilever with known stiffness connected to a nanomanipulation system was utilized inside a scanning electron microscope (SEM) as a force sensor to determine forces acting on a CNT during the pull-out process. SEM-images of the cantilever attached to a CNT have been evaluated for subsequent displacement steps with greyscale correlation to determine the cantilever deflection. We compare the experimentally obtained pull-out forces with values of numerical investigations by means of molecular dynamics and give interpretations for deviations according to material impurities or defects and their influence on the pull-out data. We find a very good agreement of force data from simulation and experiment, which is 17 nN and in the range of 10–61 nN, respectively. Our findings contribute to the ongoing research of the mechanical characterization of CNT-metal interfaces. This is of significant interest for the design of future mechanical sensors utilizing the intrinsic piezoresistive effect of CNTs or other future devices incorporating CNT-metal interfaces.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Shadow energy functionals and potentials in Born–Oppenheimer molecular dynamics

In Born–Oppenheimer molecular dynamics (BOMD) simulations based on the density functional theory (DFT), the potential energy and the interatomic forces are calculated from an electronic ground state density that is determined by an iterative self-consistent field optimization procedure, which, in practice, never is fully converged. The calculated energies and forces are, therefore, only approximate, which may lead to an unphysical energy drift and instabilities. Here, we discuss an alternative shadow BOMD approach that is based on backward error analysis. Instead of calculating approximate solutions for an underlying exact regular Born–Oppenheimer potential, we do the opposite. Instead, we calculate the exact electron density, energies, and forces, but for an underlying approximate shadow Born–Oppenheimer potential energy surface. In this way, the calculated forces are conservative with respect to the approximate shadow potential and generate accurate molecular trajectories with long-term energy stabilities. We show how such shadow Born–Oppenheimer potentials can be constructed at different levels of accuracy as a function of the integration time step, δt, from the constrained minimization of a sequence of systematically improvable, but approximate, shadow energy density functionals. For each energy functional, there is a corresponding ground state Born–Oppenheimer potential. These pairs of shadow energy functionals and potentials are higher-level generalizations of the original “zeroth-level” shadow energy functionals and potentials used in extended Lagrangian BOMD. The proposed shadow energy functionals and potentials are useful only within this extended dynamical framework, where also the electronic degrees of freedom are propagated as dynamical field variables together with the atomic positions and velocities. The theory is quite general and can be applied to MD simulations using approximate DFT, Hartree–Fock, or semi-empirical methods, as well as to coarse-grained flexible charge models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Observation of extreme ultraviolet transitions in highly charged Ba{sup 16+} to Ba{sup 23+} ions with electron beam ion trap

We have investigated extreme ultraviolet emission from highly charged barium using a compact electron beam ion trap at the Tokyo EBIT laboratory. The spectra were recorded for several beam energies ranging from 440 to 740 eV, while keeping the electron beam current constant at 10 mA. Radiation from charge states Zr-like Ba{sup 16+} to As-like Ba{sup 23+} were recorded and identified by varying the electron beam energy across the ionization thresholds and comparing with calculated results. The calculations were performed with a detailed relativistic configuration interaction approach using the Flexible Atomic Code. Several new lines belonging to electric dipole transitions were observed and identified.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Room-temperature fabrication of light-emitting thin films based on amorphous oxide semiconductor

We propose a light-emitting thin film using an amorphous oxide semiconductor (AOS) because AOS has low defect density even fabricated at room temperature. Eu-doped amorphous In-Ga-Zn-O thin films fabricated at room temperature emitted intense red emission at 614 nm. It is achieved by precise control of oxygen pressure so as to suppress oxygen-deficiency/excess-related defects and free carriers. An electronic structure model is proposed, suggesting that non-radiative process is enhanced mainly by defects near the excited states. AOS would be a promising host for a thin film phosphor applicable to flexible displays as well as to light-emitting transistors.

36 MATERIALS SCIENCE↗
NASA NTRS2013

A Multi-Purpose Modular Electronics Integration Node for Exploration Extravehicular Activity

As NASA works to develop an effective integrated portable life support system design for exploration Extravehicular activity (EVA), alternatives to the current system s electrical power and control architecture are needed to support new requirements for flexibility, maintainability, reliability, and reduced mass and volume. Experience with the current Extravehicular Mobility Unit (EMU) has demonstrated that the current architecture, based in a central power supply, monitoring and control unit, with dedicated analog wiring harness connections to active components in the system has a significant impact on system packaging and seriously constrains design flexibility in adapting to component obsolescence and changing system needs over time. An alternative architecture based in the use of a digital data bus offers possible wiring harness and system power savings, but risks significant penalties in component complexity and cost. A hybrid architecture that relies on a set of electronic and power interface nodes serving functional models within the Portable Life Support System (PLSS) is proposed to minimize both packaging and component level penalties. A common interface node hardware design can further reduce penalties by reducing the nonrecurring development costs, making miniaturization more practical, maximizing opportunities for maturation and reliability growth, providing enhanced fault tolerance, and providing stable design interfaces for system components and a central control. Adaptation to varying specific module requirements can be achieved with modest changes in firmware code within the module. A preliminary design effort has developed a common set of hardware interface requirements and functional capabilities for such a node based on anticipated modules comprising an exploration PLSS, and a prototype node has been designed assembled, programmed, and tested. One instance of such a node has been adapted to support testing the swingbed carbon dioxide and humidity control element in NASA s advanced PLSS 2.0 test article. This paper will describe the common interface node design concept, results of the prototype development and test effort, and plans for use in NASA PLSS 2.0 integrated tests.

Hodgson, Edward↗
DOE OSTI2014

Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states

The metal L-edge (2p → 3d) X-ray absorption spectra are affected by a number of different interactions: electron-electron repulsion, spin-orbit coupling, and charge transfer between metal and ligands, which makes the simulation of spectra challenging. The core restricted active space (RAS) method is an accurate and flexible approach that can be used to calculate X-ray spectra of a wide range of medium-sized systems without any symmetry constraints. Here, the applicability of the method is tested in detail by simulating three ferric (3d{sup 5}) model systems with well-known electronic structure, viz., atomic Fe{sup 3+}, high-spin [FeCl{sub 6}]{sup 3−} with ligand donor bonding, and low-spin [Fe(CN){sub 6}]{sup 3−} that also has metal backbonding. For these systems, the performance of the core RAS method, which does not require any system-dependent parameters, is comparable to that of the commonly used semi-empirical charge-transfer multiplet model. It handles orbitally degenerate ground states, accurately describes metal-ligand interactions, and includes both single and multiple excitations. The results are sensitive to the choice of orbitals in the active space and this sensitivity can be used to assign spectral features. A method has also been developed to analyze the calculated X-ray spectra using a chemically intuitive molecular orbital picture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Accelerator Sources for THz science: A Review

Free Electron Lasers have been around since 1977 providing not only a test bed for the physics of FELs and electron/photon interactions but as a workhorse of scientific research. More than 30 FELs are presently operating around the world spanning a wavelength range from the millimeter region to the hard x-ray using direct current and rf linear accelerators or storage rings as electron sources. The characteristics that have driven the development of these sources are the desire for high peak and average power, high micropulse energies, wavelength tunability, timing flexibility, and wavelengths that are unavailable from more conventional laser sources. Operation of FELs in the far infrared to terahertz regime poses special challenges which have been and are being addressed at a number of facilities around the world. This paper will review a number of former and existing FELs operating in this regime and discuss future efforts. Broadband collective radiation from relativistic electrons also plays a significant role in the production of FIR/THz radiation and several groups are taking advantage of this source for users. Applications for use of the radiation have evolved from simple imaging to complex pump probe tests of insulator/metal transitions and energy flow in organic molecules. We will discuss the technologies for generating the IR/FIR/THz radiation and cover some of the unique applications of such sources.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Attosecond pulse shaping using a seeded free-electron laser

Attosecond pulses are central to the investigation of valence- and core-electron dynamics on their natural timescales. The reproducible generation and characterization of attosecond waveforms has been demonstrated so far only through the process of high-order harmonic generation. Several methods for shaping attosecond waveforms have been proposed, including the use of metallic filters, multilayer mirrors and manipulation of the driving field. However, none of these approaches allows the flexible manipulation of the temporal characteristics of the attosecond waveforms, and they suffer from the low conversion efficiency of the high-order harmonic generation process. Free-electron lasers, by contrast, deliver femtosecond, extreme-ultraviolet and X-ray pulses with energies ranging from tens of microjoules to a few millijoules. Recent experiments have shown that they can generate subfemtosecond spikes, but with temporal characteristics that change shot-to-shot. In this paper we report reproducible generation of high-energy (microjoule level) attosecond waveforms using a seeded free-electron laser. We demonstrate amplitude and phase manipulation of the harmonic components of an attosecond pulse train in combination with an approach for its temporal reconstruction. The results presented here open the way to performing attosecond time-resolved experiments with free-electron lasers.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Development of intelligent control module for the J-TEXT electron cyclotron emission imaging system

An Electron Cyclotron Emission Imaging (ECEI) system has been developed on the J-TEXT tokamak and employed for the multi-dimensional electron temperature fluctuation imaging measurement in 2019 campaign. The intelligent control module has been developed and been used to flexibly setup the 256-channel ECEI system configurations for different plasma scenarios. The adjustments of key parameters are merged in this module including size and position of the geometric observation window, and the dynamic range of the signal and image resolution. The user-friendly interface is also developed for the tokamak operator to set the ECEI system focusing on physics interested region. Furthermore, this module is installed close to the diagnostic system around the J-TEXT tokamak, which can be remotely controlled by authorized operators in the control room. It significantly improves ECEI flexibility and stability, and also keeps the operation technician away from the harsh radiation environment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Rigid versus Flexible Ligands on Carbon Nanotubes for the Enhanced Sensitivity of Cobalt Ions

Carbon nanotubes have shown great promise in the fabrication of ultra-compact and highly sensitive chemical and biological sensors. Additional chemical functionalization schemes can controllably improve selectivity of the carbon nanotube-based sensors; however the exact transduction mechanism is still under debate. In this article we detail the synthesis and selective response of single-walled carbon nanotubes (SWNTs) functionalized with polyazomethine (PAM) polymer towards the application of a specific trace metal ion detector. The response of the polymer system was compared to shape persistent macrocycle (MAC) comprised of identical ion coordination ligands. While ion detection with rigid MAC/SWNT chemiresistor was comparable to bare SWNT, flexible PAM offers significant SWNT signal amplification, allowing for picomolar detection of Co{sup 2+} ions with both selectivity and a fast response. We hypothesized that rearrangement of the flexible PAM on the SWNT network is a sensing mechanism which allows for ultrasensitive detection of metal ions. The electron transfer and polymer rearrangement on the SWNT was studied by a combination of optical spectroscopy and electrical measurements - ultimately allowing for a better understanding of fundamental mechanisms that prompt device response.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Designing heavy metal oxide glasses with threshold properties from network rigidity

Here, we show that a new class of glasses composed of heavy metal oxides involving transition metals (V{sub 2}O{sub 5}–TeO{sub 2}) can surprisingly be designed from very basic tools using topology and rigidity of their underlying molecular networks. When investigated as a function of composition, such glasses display abrupt changes in network packing and enthalpy of relaxation at T{sub g}, underscoring presence of flexible to rigid elastic phase transitions. We find that these elastic phases are fully consistent with polaronic nature of electronic conductivity at high V{sub 2}O{sub 5} content. Such observations have new implications for designing electronic glasses which differ from the traditional amorphous electrolytes having only mobile ions as charge carriers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes

Cyanobacteria use large antenna complexes called phycobilisomes (PBSs) for light harvesting. However, intense light triggers non-photochemical quenching, where the orange carotenoid protein (OCP) binds to PBS, dissipating excess energy as heat. The mechanism of efficiently transferring energy from phycocyanobilins in PBS to canthaxanthin in OCP remains insufficiently understood. Using cryo–electron microscopy, we unveiled the OCP-PBS complex structure at 1.6- to 2.1-angstrom resolution, showcasing its inherent flexibility. Using multiscale quantum chemistry, we disclosed the quenching mechanism. Identifying key protein residues, we clarified how canthaxanthin’s transition dipole moment in its lowest-energy dark state becomes large enough for efficient energy transfer from phycocyanobilins. Our energy transfer model offers a detailed understanding of the atomic determinants of light harvesting regulation and antenna architecture in cyanobacteria.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1968

Encapsulation technique eliminates thermal stresses in welded electronic modules

Encapsulation technique minimizes embedment and thermal stresses in welded electronic modules. A coating of thinned room-temperature- vulcanizing silicone rubber having a high coefficient of expansion and flexibility at low temperature, is applied first and then an encapsulating epoxy resin having a relatively low coefficient of expansion is added.

Kimmel, M.↗
NASA NTRS1985

Space shuttle descent design: From development to operations

The descent guidance system, the descent trajectories design, and generating of the associated flight products are discussed. The programs which allow the successful transitions from development to STS operations, resulting in reduced manpower requirements and compressed schedules for flight design cycles are addressed. The topics include: (1) continually upgraded tools for the job, i.e., consolidating tools via electronic data transfers, tailoring general purpose software for needs, easy access to tools through an interactive approach, and appropriate flexibility to allow design changes and provide growth capability; (2) stabilizing the flight profile designs (I-loads) in an uncertain environment; and (3) standardizing external interfaces within performance and subsystems constraints of the Orbiter.

Crull, T. J.↗
NASA NTRS1987

Soluble aromatic polyimides for film and coating applications

The effect of changing isomeric points of attachment of phenoxy units in the diamine portion of several all-aromatic polyimide systems on the solubility of these materials were investigated. It was found that solubility could be enhanced by the presence of meta and ortho isomer links in the diamine portion of the molecule. The soluble phenoxy-linked polyimides yield tough flexible colorless to pale-yellow transparent films from solutions of chlorinated solvents, with high potential for use in electronic applications.

St. Clair, Anne K.↗