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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Dissociation of H{sub 2} on carbon doped aluminum cluster Al{sub 6}C

The dissociation of H{sub 2} molecule is the first step for chemical storage of hydrogen, and the energy barrier of the dissociation is the key factor to decide the kinetics of the regeneration of the storage material. As a light element, aluminum is an important candidate component for storage materials with high gravimetric density. This paper investigates the adsorption and dissociation of H{sub 2} on carbon doping aluminum cluster Al{sub 6}C. The study shows that doping carbon into aluminum cluster can significantly change the electronic structure and increase the stability. Al{sub 6}C has a few stable isomers with close energies and their structures are quite flexible. The molecular adsorption of H{sub 2} on Al{sub 6}C is very weak, but the H{sub 2} molecule can be dissociated easily on this cluster. The stable product of the dissociated adsorption is searched and the different paths for the dissociation are investigated. During the dissociation of H{sub 2}, the structure of the cluster adjusts accordingly, and strong orbital interaction between the hydrogen and the cluster occurs. The calculated energy barrier for the dissociation is only 0.30 eV, which means the dissociation can take place at moderate temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Improving logistic efficiency of WEEE collection through dynamic scheduling using simulation modeling

Highlights: • Latest EU regulation on WEEE require more flexible logistics models. • The implementation of dynamic scheduling is evaluated for WEEE collection. • A hybrid simulation model compares dynamic (pure and “mixed”) and static collection schemes. • Results confirm the higher flexibility and efficiency of dynamic systems. • Dynamic scheduling “mixed” solutions result more efficient than pure ones. - Abstract: The complexity of collection systems for Waste from Electric and Electronic Equipment (WEEE) in the EU is increasing, due to the latest directive that sets new collection targets and modes. The high variability and the uncertainty of reverse flows require innovative logistic approaches. One recent option for increasing efficiency and responsiveness in waste collection services, boosted by new technological solutions for waste level monitoring, is to adopt a dynamic collection scheme, where the collection frequency is not established a priori (based on a fixed plan), but it is based on the actual filling levels of waste bins. This option can allow the service provider to plan the collection service following the actual demand, resulting in a more responsive service, while improving the logistic efficiency. This paper evaluates the implementation of dynamic scheduling schemes for the collection of WEEE. A hybrid simulation model has been developed in order to support researchers and practitioners in assessing quantitative impacts of adopting dynamic scheduling in WEEE collection. Three logistic alternatives (a fixed collection schedule scheme, a pure dynamic scheme and a mixed one) have been compared in a test case based on data of an Italian municipality; collection services for different types of WEEE (i.e. large appliances and small items) have been analyzed. Results show a promising performance of dynamic schedules compared to the fixed one, revealing, for the specific test case, how a mixed solution can combine the advantages of dynamic and fixed scheduling, gaining flexibility towards customer demand while improving truck resource utilization.

42 ENGINEERING↗
DOE OSTI2018

The study of the core–valence and core–core correlation effects on the radiative properties along the magnesium isoelectronic sequence

We investigated the effect of core–valence and core–core correlations on the energy levels and transition probabilities along the Mg isoelectronic sequence from Si{sup 2+} to U{sup 80+}. In order to attain a certain accuracy for the atomic structure we considered configurations obtained by electron promotions from the n=3 up to n=7 valence shells. Core–valence and core–core correlations are systematically included in the model by allowing single and double electron promotions from the n=2 core up to the n=6 and n=5 shells with l≤4 and l≤2, respectively. The present results contain the energy of the levels arising from the valence configurations along with oscillator strengths and radiative rates corresponding to E1, M1, E2, M2 transitions between states arising from 3l3l{sup ′} with l,l{sup ′}≤2 and 3snl{sup ′′} with n≤7 and l{sup ′′}≤4 configurations. We conclude the data accuracy trend along the magnesium isoelectronic sequence as a result of the detailed study of the correlation effects on the radiative properties. The core–valence correlations generally improve both energy and radiative rate values, while the core–core correlations mostly give better oscillator strengths but may slightly increase the energy deviations. The calculations have been performed by employing the fully relativistic model-potential Flexible Atomic Code.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

Influence of oxygen on the optical and electrical properties of magnetron-sputtered indium tin oxide thin films at ambient temperature

Indium Tin Oxide (ITO) thin films are commonly used as transparent conductive layers in the production of solar cells. ITO films are typically heat-treated at temperatures exceeding 200 °C after magnetron sputtering to optimize the physical, optical, and electrical characteristics for photovoltaic devices. Here, this high temperature heating procedure greatly limits the use of potential substrates, particularly those comprised of low-temperature-rated polymers. Herein, we examine the physical, optical, and electrical transport effects of oxygen:argon plasmas during radio frequency magnetron sputtering of ITO on glass and flexible polymer surfaces without subsequent heat treatment. ITO thin films were characterized via sheet resistance testing, UV-Vis spectroscopy, X-ray diffraction, and scanning electron microscopy imaging. Sheet resistance measurements revealed an increase in surface resistance with increasing oxygen concentration during sputtering. UV-Vis optical transmittance measurements demonstrated an improvement in optical transmittance with an increase in oxygen concentration reaching a maximum transmittance at an oxygen concentration of 1-2 %. Most importantly, it was discovered that producing bilayers of ITO with pure argon sputtered plasmas followed by oxygen:argon plasmas produced ITO thin films with suitable resistance and transmittance without the need for high temperature post annealing. These results highlight a methodology for the deposition of ITO thin films on temperature sensitive substrates for flexible photovoltaics and low-cost module production.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Two-dimensional silica: Structural, mechanical properties, and strain-induced band gap tuning

Two-dimensional silica is of rising interests not only for its practical applications as insulating layers in nanoelectronics, but also as a model material to understand crystals and glasses. In this study, we examine structural and electronic properties of hexagonal and haeckelite phases of silica bilayers by performing first-principles calculations. We find that the corner-sharing SiO{sub 4} tetrahedrons in these two phases are locally similar. The robustness and resilience of these tetrahedrons under mechanical perturbation allow effective strain engineering of the electronic structures with band gaps covering a very wide range, from of that for insulators, to wide-, and even narrow-gap semiconductors. These findings suggest that the flexible 2D silica holds great promises in developing nanoelectronic devices with strain-tunable performance, and lay the ground for the understanding of crystalline and vitreous phases in 2D, where bilayer silica provides an ideal test-bed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Coherent phonon flatband generated in GaAs/AlAs superlattices via layer-selective optical pumping

Flatbands, characterized by their dispersionless energy levels in electronic, magnetic, and phononic systems, hold substantial potential for advancements in electronics and quantum information processing. Most flatbands exist in thermal equilibrium and cannot be easily created or annihilated externally, limiting their flexibility as switchable knobs for use in microelectronics and quantum applications. In our work, we demonstrate the generation of a coherent phonon flatband in a GaAs/AlAs superlattice using 800 nm femtosecond laser pulses. This coherent phonon flatband does not correspond to a phonon eigenmode at equilibrium and exhibits strong coupling with two branches of coherently excited longitudinal phonon modes. With molecular dynamics simulations, we show more generally that the coherent phonon flatband can be induced by coherently and spatially modulated optical excitations of superlattice structures. Our results highlight a pathway for coherent phonon flatband creation in the time domain that can be generalized to various superlattice systems, potentially inspiring the realization of coherent flatband generation of other quasiparticles.

Condensed-matter physics↗
DOE OSTI2015

Energy transfer between a passing vortex ring and a flexible plate in an ideal quiescent fluid

Recent advancements in highly deformable smart materials have lead to increasing interest in small-scale energy harvesting research for powering low consumption electronic devices. One such recent experimental study by Goushcha et al. explored energy harvesting from a passing vortex ring by a cantilevered smart material plate oriented parallel to and offset from the path of the ring in an otherwise quiescent fluid. The present study focuses on modeling this experimental study using potential flow to facilitate optimization of the energy extraction from the passing ring to raise the energy harvesting potential of the device. The problem is modeled in two-dimensions with the vortex ring represented as a pair of counter-rotating free vortices. Vortex pair parameters are determined to match the convection speed of the ring in the experiments, as well as the imposed pressure loading on the plate. The plate is approximated as a Kirchhoff-Love plate and represented as a finite length vortex sheet in the fluid domain. The analytical model matches experimental measurements, including the tip displacement, the integrated force along the entire plate length as a function of vortex ring position, and the pressure along the plate. The potential flow solution is employed in a parametric study of the governing dimensionless parameters in an effort to guide the selection of plate properties for optimal energy harvesting performance. Results of the study indicate an optimal set of plate properties for a given vortex ring configuration, in which the time-scale of vortex advection matches that of the plate vibration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1974

Flexible DCP interface

The author has identified the following significant results. A user of an ERTS data collection system (DCS) must supply the sensors and signal-conditioning interface. The electronic interface must be compatible with the NASA-furnished data collection platform. A universal signal-conditioning system for use with a wide range of environmental sensors is described. The interface is environmentally and electronically compatible with the DCP and has operated satisfactorily for a complete winter wheat growing season in Kansas.

Kanemasu, E. T.↗
NASA NTRS1981

Engine health monitoring: An advanced system

The advanced propulsion monitoring system is described. The system was developed in order to fulfill a growing need for effective engine health monitoring. This need is generated by military requirements for increased performance and efficiency in more complex propulsion systems, while maintaining or improving the cost to operate. This program represents a vital technological step in the advancement of the state of the art for monitoring systems in terms of reliability, flexibility, accuracy, and provision of user oriented results. It draws heavily on the technology and control theory developed for modern, complex, electronically controlled engines and utilizes engine information which is a by-product of such a system.

Dyson, R. J. E.↗
NASA NTRS1987

Application of several variable-valve-timing concepts to an LHR engine

The paper discusses advantages provided by electronically controlled hydraulically activated valves (ECVs) when applied to low heat rejection (LHR) engines. The ECV concept provides additional engine control flexibility by allowing for a variable valve timing as a function of speed and load, or for a given transient condition. The results of a study carried out to assess the benefits that this flexibility can offer to an LHR engine indicated that, when judged on the benefits to BSFC, volumetric efficiency, and peak firing pressure, ECVs would provide only modest benefits in comparison to conventional valve profiles. It is noted, however, that once installed on the engine, the ECVs would permit a whole range of certain more sophisticated variable valve timing strategies not otherwise possible, such as high compression cranking, engine braking, cylinder cutouts, and volumetric efficiency timing with engine speed.

Morel, T.↗
NASA NTRS1992

Microcontrollers Generate Timing Signals For CCD Arrays

Microcontrollers generate timing signals for charge-coupled-device array detectors in electronic system developed to test such detectors. With microcontroller, one changes timing signals via software, without changes in wiring. Approach more flexible, timing signals changed easier and quicker.

Hostetter, Marilyn K.↗
DOE OSTI2023

Cell Free and Immobilization Technologies (CFIT)

Today, several key factors negatively impact the production of fuels and chemicals from renewable sources. Common hindrances in the biological production of biochemicals are: (1) end-product or intermediate toxicity to the microbial biocatalyst, (2) the diversion of carbon to biomass formation, and (3) co-production of undesired byproducts. A particularly attractive alternative is to eliminate the biocatalyst entirely and instead operate the desired metabolic pathways in isolation, thus circumventing the roadblocks of biological toxicity, lower yields, and lack of specificity. However, cell-free enzyme systems still suffer from low productivities owing in part to the effects of free diffusion of intermediates, lack of long term enzyme stability, cofactor cost or inefficient recycling rates, and finally, the cost of enzyme production/purification. This project represents a new effort to propose innovative and cost competitive routes to producing biochemicals from a variety of feedstocks using cell free approaches. These routes will help reduce the current risk and cost associated with classical cell free production. Cell free technologies show promise for application to the production of toxic/inhibitory products or products difficult to separate from microbial growth media and can help reduce the production barriers in multiple areas of biological conversion of feedstocks to biochemicals. More specifically, we are developing new technologies and routes that could be used to produce high value biochemicals such as 2,3 BDO and terpenes (among many others) from biomass derived C5/C6 sugars or lignin but also from waste byproducts such as glycerol. This project will lead to significant innovation and also lead to new concepts and rational design of pathways and enzymes. Within this project, we will develop new metabolic enzyme cascades that will represent natural or artificial combinations of enzymes to produce the desired biochemicals from a variety of feedstocks. We are also developing basic design principals for constructing synthetic metabolons, using fusion proteins and synthetic protein scaffolds, to promote substrate channeling and stability while conserving peak activity. Additionally, our efforts include a techno economic analysis (TEA) of cell free approaches to provide the sensitivities of the process to enzyme loading, activity, pH, reactor volumes, cofactor recycling rates. Finally, we are focusing on further increasing stability, operating lifetime and efficiency of the pathway enzymes by immobilization on support surfaces. We are also focus on immobilizing pathway enzymes or combinations of enzymes on several different conducting polymers and evaluate the effect on stability and operating lifetime. As more combinations become available we will conduct a more systematic study of the means of immobilizing these enzymes. This preliminary work will enable the in-depth study of cofactor recycling at these interfaces using mediators for electron transfer. Taken together, these approaches will enable process intensification, continuous operation, lower capital and separations costs and end-product flexibility, and thus has the potential to contribute significantly to BETO's goals of cost competitive biofuels and bioproducts. To date we have demonstrated 1) the conversion of pyruvate to 2,3 BDO (4 enzymes with cofactor recycling, no additional cofactors needed) at >100g/L (>3g/L/h) using our enzyme tethering approach, 2) Generated mutants of a key redox enzyme with >180- fold improvement in NADH utilization over WT to >85% of NADPH utilization. 3) Produced mevalonate at >10g/L from glucose, limonene at >10g/L from mevalonate and more than >5g/L from glucose with crude enzyme preparations and complete cofactor recycling. 4) successfully generated fully active cross-linked aggregates (CLEAs) of NOX, a cofactor-regenerating water-forming oxidase that is key to our process with increased stability 5) Engineered and identified enzymes able to use the biomimetic cofactor NMN and synthesized new synthetic cofactors.

biocatalysis↗
DOE OSTI2021

Application of molecular convergent close-coupling cross sections in a collisional radiative model for the triplet system of molecular hydrogen

Collisional radiative (CR) models for molecular hydrogen are of high relevance for performing qualitative and quantitative analysis of excited-state population densities measured in plasmas or predicting the dependence of plasma emission on parameter variations. Although the development of such models for H 2 started decades ago, major uncertainties still exist regarding the most important set of input parameters, namely the cross sections for electron-impact excitation. The deviations between cross sections from different datasets are particularly pronounced in the energy region close to the threshold energy, strongly increasing the uncertainty of CR models applied to low-temperature plasmas. This paper presents experimental validation of a set of newly calculated non ro-vibrationally resolved electron-impact cross sections calculated for the triplet system of H 2 using the molecular convergent close-coupling method in the adiabatic-nuclei formulation. These cross sections are implemented into a CR model based on the flexible solver Yacora. A first comparison of CR calculations with the different datasets to experimentally-determined population densities is performed at a planar ICP discharge for varying pressure (between 1 and 10 Pa) and RF power (between 700 and 1100 W). For the experimentally-accessible electron temperature and density range (2.5–10 eV and 1.8–3.3 × 10 16 m –3 , respectively), very good agreement between the model and experiment is obtained using the new data set, in contrast to previously used cross sections.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Environmentally induced chemical and morphological heterogeneity of zinc oxide thin films

Zinc oxide (ZnO) thin films have been reported to suffer from degradation in electrical properties, when exposed to elevated heat and humidity, often leading to failures of electronic devices containing ZnO films. This degradation appears to be linked to water and oxygen penetration into the ZnO film. However, a direct observation in the ZnO film morphological evolution detailing structural and chemical changes has been lacking. Here, we systematically investigated the chemical and morphological heterogeneities of ZnO thin films caused by elevated heat and humidity, simulating an environmental aging. X-ray fluorescence microscopy, X-ray absorption spectroscopy, grazing incidence small angle and wide angle X-ray scattering, scanning electron microscopy (SEM), ultra-high-resolution SEM, and optical microscopy were carried out to examine ZnO and Al-doped ZnO thin films on two different substrates—silicon wafers and flexible polyethylene terephthalate (PET) films. In the un-doped ZnO thin film, the simulated environmental aging is resulting in pin-holes. In the Al-doped ZnO thin films, significant morphological changes occurred after the treatment, with an appearance of platelet-shaped structures that are 100–200 nm wide by 1μm long. Synchrotron x-ray characterization further confirmed the heterogeneity in the aged Al-doped ZnO, showing the formation of anisotropic structures and disordering. X-ray diffraction and X-ray absorption spectroscopy indicated the formation of a zinc hydroxide in the aged Al-doped films. In conclusion, utilizing advanced characterization methods, our studies provided information with an unprecedented level of details and revealed the chemical and morphologically heterogeneous nature of the degradation in ZnO thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Low-temperature spray-deposited indium oxide for flexible thin-film transistors and integrated circuits

Indium oxide (In{sub 2}O{sub 3}) films were deposited by ultrasonic spray pyrolysis in ambient air and incorporated into bottom-gate coplanar and staggered thin-film transistors. As-fabricated devices exhibited electron-transporting characteristics with mobility values of 1 cm{sup 2}V{sup −1}s{sup −1} and 16 cm{sup 2}V{sup −1}s{sup −1} for coplanar and staggered architectures, respectively. Integration of In{sub 2}O{sub 3} transistors enabled realization of unipolar inverters with high gain (5.3 V/V) and low-voltage operation. The low temperature deposition (≤250 °C) of In{sub 2}O{sub 3} also allowed transistor fabrication on free-standing 50 μm-thick polyimide foils. The resulting flexible In{sub 2}O{sub 3} transistors exhibit good characteristics and remain fully functional even when bent to tensile radii of 4 mm.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Electronic, mechanical and dielectric properties of silicane under tensile strain

The electronic, mechanical and dielectric properties of fully hydrogenated silicene i.e. silicane in stable configuration are studied by means of density functional theory based calculations. The band gap of silicane monolayer can be flexibly reduced to zero when subjected to bi-axial tensile strain, leading to semi-conducting to metallic transition, whereas the static dielectric constant for in-plane polarization increases monotonically with increasing strain. Also the EEL function show the red shift in resonance peak with tensile strain. Our results offer useful insight for the application of silicane monolayer in nano-optical and electronics devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Large‐Area, Semitransparent, and Flexible All‐Polymer Photodetectors

Abstract Photodetectors, converting optical signals from specific wavelengths to electrical signals, have many applications on photoimaging, optical communication, and environmental monitoring. Solution‐processed organic photodetectors (OPDs) based on organic materials emerge promise especially for wearable electronics and smart buildings. In this work, new all‐polymer photodetectors (all‐PPDs) are developed based on bulk‐heterojunction active layers which incorporate a donor polymer and an acceptor polymer. The inverted all‐PPDs exhibit outstanding external quantum efficiency over 70%, low dark current density ( J d ) of 1.1 × 10 −8 A cm −2 , and high detectivity ( D *) over 3.0 × 10 12 Jones with planar response over the entire visible range. It is one of the best‐performing all‐PPDs reported so far and is also comparable with many organic and inorganic photodetectors. By using lamination technique, large‐area, semitransparent, flexible, and “fully” polymeric photodetectors are successfully fabricated for the first time, with D * over 10 11 Jones for double‐side light detection. The results highlight the great potential for producing high‐performance all‐PPDs by taking advantages of various device architecture and solution‐processing techniques.

Xu, Xiaofeng↗