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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Simplified synthetic routes for low cost and high photovoltaic performance n-type organic semiconductor acceptors

The application of polymer solar cells (PSCs) with n-type organic semiconductor as acceptor requires further improving powder conversion efficiency, increasing stability and decreasing cost of the related materials and devices. Here we report a simplified synthetic route for 4,4,9,9-tetrahexyl-4,9-dihydro-s-indaceno [1,2-b:5,6-b’] dithiophene by using the catalyst of amberlyst15. Based on this synthetic route and methoxy substitution, two low cost acceptors with less synthetic steps, simple post-treatment and high yield were synthesized. In addition, the methoxy substitution improves both yield and efficiency. The high efficiency of 13.46% was obtained for the devices with MO-IDIC-2F (3,9-bis(2-methylene-5 or 6-fluoro-(3-(1,1- dicyanomethylene)-indanone)-4,4,9,9-tetrahexyl-5,10-dimethoxyl-4,9-dihydro-s-indaceno [1,2-b:5,6-b’] dithiophene) as acceptor. Based on the cost analysis, the PSCs based on MOIDIC-2F possess the great advantages of low cost and high photovoltaic performance in comparison with those PSCs reported in literatures. Therefore, MO-IDIC-2F will be a promising low cost acceptor for commercial application of PSC

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Quantum computing for a profusion of postman problem variants

In this paper we study the viability of solving the Chinese Postman Problem, a graph routing optimization problem, and many of its variants on a quantum annealing device. Routing problem variants considered include graph type, directionally varying weights, number of parties involved in routing, among others. We put emphasis on the explanation of how to convert such problems into quadratic unconstrained binary optimization (QUBO) problems. QUBO is one of two equivalent natural paradigms for quantum annealing devices, the other being the Ising Model. We also expand upon a previously discovered algorithm for solving the Chinese Postman Problem on a closed undirected graph to decrease the number of constraints and variables used in the problem. Optimal annealing parameter settings and constraint weight values are discussed based on results from implementation on the D-Wave 2000Q and Advantage. Results from classical, purely quantum, and hybrid algorithms are compared.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Deep eutectic solvent route synthesis of zinc and copper vanadate n-type semiconductors – mapping oxygen vacancies and their effect on photovoltage

Ternary metal oxides M 2 V 2 O 7–δ (M = Zn and Cu) were synthesized by dissolving binary metal oxide precursors in an environmentally benign deep eutectic solvent (DES), which is a eutectic mixture of a hydrogen bond donor and acceptor, followed by annealing in an open crucible. The unique reaction environment provided by the evolved ammonia allows for stabilization of oxygen vacancies and reduced oxidation states of metal ions within an oxide matrix without the need for any post-treatment with flammable reducing agents. According to comprehensive characterization, including X-ray photoelectron spectroscopy (XPS), neutron powder diffraction, and UV-vis spectroscopy, oxygen deficiency is accompanied by reduced oxidation states of metal centers (Cu + or V 4+ ), resulting in oxides with mixed-valence metal oxidation states. The amount of oxygen vacancies can be tuned by changing the annealing temperature providing control over band gaps of ternary metal oxides and mid-gap states from reduced metal centers. All synthesized vanadates are n-type semiconductors based on negative photovoltages obtained from surface photovoltage spectroscopy (SPS). A decay of the photovoltage with increasing annealing temperatures is attributed to electron trapping and electron/hole recombination at V 4+ and Cu + mid-gap states. This work shows for the first time the impact of oxygen vacancies on the electronic structure of DES synthesized oxides for solar energy conversion applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

In Situ Detection of Strong Langmuir Turbulence Processes in Solar Type III Radio Bursts

The high time resolution observations obtained by the WAVES experiment of the STEREO spacecraft in solar type III radio bursts show that Langmuir waves often occur as intense localized wave packets. These wave packets are characterized by short durations of only a few ms and peak intensities, which well exceed the supersonic modulational instability (MI) thresholds. These timescales and peak intensities satisfy the criterion of the solitons collapsed to spatial scales of a few hundred Debye lengths. The spectra of these wave packets consist of primary spectral peaks corresponding to beam-resonant Langmuir waves, two or more sidebands corresponding to down-shifted and up-shifted daughter Langmuir waves, and low frequency enhancements below a few hundred Hz corresponding to daughter ion sound waves. The frequencies and wave numbers of these spectral components satisfy the resonance conditions of the modulational instability (MI). Moreover, the tricoherences, computed using trispectral analysis techniques show that these spectral components are coupled to each other with a high degree of coherency as expected of the MI type of four wave interactions. The high intensities, short scale lengths, sideband spectral structures and low frequency spectral enhancements and, high levels of tricoherences amongst the spectral components of these wave packets provide unambiguous evidence for the supersonic MI and related strong turbulence processes in type III radio bursts. The implication of these observations include: (1) the MI and related strong turbulence processes often occur in type III source regions, (2) the strong turbulence processes probably play very important roles in beam stabilization as well as conversion of Langmuir waves into escaping radiation at the fundamental and second harmonic of the electron plasma frequency, fpe, and (3) the Langmuir collapse probably follows the route of MI in type III radio bursts.

Langmuir↗
DOE OSTI2016

Security-Oriented and Load-Balancing Wireless Data Routing Game in the Integration of Advanced Metering Infrastructure Network in Smart Grid

Ensuring flexible and reliable data routing is indispensable for the integration of Advanced Metering Infrastructure (AMI) networks, we propose a secure-oriented and load-balancing wireless data routing scheme. A novel utility function is designed based on security routing scheme. Then, we model the interactive security-oriented routing strategy among meter data concentrators or smart grid meters as a mixed-strategy network formation game. Finally, such problem results in a stable probabilistic routing scheme with proposed distributed learning algorithm. One contributions is that we studied that different types of applications affect the routing selection strategy and the strategy tendency. Another contributions is that the chosen strategy of our mixed routing can adaptively to converge to a new mixed strategy Nash equilibrium (MSNE) during the learning process in the smart grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

Intrinsic surface passivation of CdTe

Recombination is critically limiting in CdTe devices such as solar cells and detectors, with much of it occurring at or near the surface. In this work, we explore different routes to passivate p-type CdTe surfaces without any intentional extrinsic passivation layers. To provide deeper insight into the passivation routes, we uniquely correlate a set of characterization methods: surface analysis and time-resolved spectroscopy. We study two model systems: nominally undoped single crystals and large-grain polycrystalline films. We examine several strategies to reduce surface recombination velocity. First, we study the effects of removing surface contaminants while maintaining a near-stoichiometric surface. Then we examine stoichiometric thermally reconstructed surfaces. Here, we also investigate the effects of shifting the surface stoichiometry by both “subtractive” (wet chemical etches) and “additive” (ampoule anneals and epitaxial growth) means. We consistently find for a variety of methods that a highly ordered stoichiometric to Cd-rich surface shows a significant reduction in surface recombination, whereas a Te-rich surface has high recombination and propose a mechanism to explain this. While as-received single crystals and as-deposited polycrystalline films have surface recombination velocities in the range of 10 5 –10 6 cm/s, we find that several routes can reduce surface recombination velocities to <2.5 × 10 4 cm/s.

14 SOLAR ENERGY↗
DOE OSTI2018

Simulation of Heavy-Duty Vehicles in Platooning Scenarios

Connectivity and automation provide the potential to use information about the environment and future driving to minimize energy consumption. In order to achieve this goal, the designers of control strategies need to simulate a wide range of driving situations that can interact with other vehicles and the infrastructure to account for the specific powertrain characteristics of each automated vehicle. We present here a simulation framework called RoadRunner, which aims to facilitate the design of powertrain-aware eco-driving algorithms and a better understanding of the interactions between automation and powertrain technology. RoadRunner allows users to simulate both powertrain and longitudinal dynamics within a simulated environment. The user defines the scenario to be simulated by providing a route profile, intersection control types, number of vehicles, vehicle class, powertrain technology, connectivity, and automation level. RoadRunner then builds a Simulink diagram of the scenario, including the information flows between vehicles, and between vehicles and the road. After the simulation, the user can analyze the driving, component operations, and detailed energy consumption rates for each simulated vehicle. We present a case study on heavy-duty vehicles platooning. Using RoadRunner and detailed road data from digital maps, we quantify the impact of gap setting on fuel consumption, for a real-world route.

Kim, Namdoo↗
DOE OSTI2016

Transatlantic flight times and climate change

Aircraft do not fly through a vacuum, but through an atmosphere whose meteorological characteristics are changing because of global warming. The impacts of aviation on climate change have long been recognised, but the impacts of climate change on aviation have only recently begun to emerge. These impacts include intensified turbulence and increased take-off weight restrictions. We investigate the influence of climate change on flight routes and journey times. We feed synthetic atmospheric wind fields generated from climate model simulations into a routing algorithm of the type used operationally by flight planners. We focus on transatlantic flights between London and New York, and how they change when the atmospheric concentration of carbon dioxide is doubled. We find that a strengthening of the prevailing jet-stream winds causes eastbound flights to significantly shorten and westbound flights to significantly lengthen in all seasons. Eastbound and westbound crossings in winter become approximately twice as likely to take under 5 h 20 min and over 7 h 00 min, respectively. Furthermore, for reasons that are explained using a conceptual model, the eastbound shortening and westbound lengthening do not cancel out, causing round-trip journey times to increase. Even assuming no future growth in aviation, the extrapolation of our results to all transatlantic traffic suggests that aircraft will collectively be airborne for an extra 2000 h each year, burning an extra 7.2 million gallons of jet fuel at a cost of US$ 22 million, and emitting an extra 70 million kg of carbon dioxide, which is equivalent to the annual emissions of 7100 average British homes. These results provide further evidence of the two-way interaction between aviation and climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Scalable Synthesis of the Transparent Conductive Oxide SrVO 3

The correlated metal SrVO 3 is an attractive earth-abundant transparent conducting oxide (TCO), a critical component of many optoelectronic and renewable energy devices. A key challenge is to synthesize films with low resistivity, due to the prevalence of defects that cause electron scattering. In addition to the material's promise as a TCO, its interesting correlated-electron physics is often obscured by a high defect concentration, which inhibits its further development into new types of devices. A route to synthesize low-defect SrVO 3 films by scalable, industry-compatible molecular beam epitaxy (MBE) is demonstrated. The resulting films consistently exhibit a residual resistivity ratio in the excess of 10 and room temperature resistivity as low as 32 µΩ cm, an indication of their high quality and potential for applications. Analysis of the structural and electronic properties of SrVO 3 films provides insights that are applicable to other conductive oxides, and highlights a route for further improvement in their quality and low temperature performance. MBE is the only growth method that allows atomically abrupt epitaxial interfaces between oxides and semiconductors such as Si and GaAs. Such interfaces are essential for efficient charge transport that is at the heart of the performance of most optoelectronic and solar devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Design of a symmetry‐broken tetrahedral protein cage by a method of internal steric occlusion

Abstract Methods in protein design have made it possible to create large and complex, self‐assembling protein cages with diverse applications. These have largely been based on highly symmetric forms exemplified by the Platonic solids. Prospective applications of protein cages would be expanded by strategies for breaking the designed symmetry, for example, so that only one or a few (instead of many) copies of an exterior domain or motif might be displayed on their surfaces. Here we demonstrate a straightforward design approach for creating symmetry‐broken protein cages able to display singular copies of outward‐facing domains. We modify the subunit of an otherwise symmetric protein cage through fusion to a small inward‐facing domain, only one copy of which can be accommodated in the cage interior. Using biochemical methods and native mass spectrometry, we show that co‐expression of the original subunit and the modified subunit, which is further fused to an outward‐facing anti‐GFP DARPin domain, leads to self‐assembly of a protein cage presenting just one copy of the DARPin protein on its exterior. This strategy of designed occlusion provides a facile route for creating new types of protein cages with unique properties.

Gladkov, Nika↗
DOE OSTI2017

Mechanistic Study of Electrolyte Additives to Stabilize High-Voltage Cathode–Electrolyte Interface in Lithium-Ion Batteries

Current developments of electrolyte additives to stabilize electrode-electrolyte interface in Li-ion batteries highly rely on a trial-and-error search, which involves repetitive testing and intensive amount of resources. The lack of understandings on the fundamental protection mechanisms of the additives significantly increases the difficulty for the transformational development of new additives. In this study, we investigated two types of individual protection routes to build a robust cathode-electrolyte interphase at high potentials: (i) a direct reduction in the catalytic decomposition of the electrolyte solvent; and (ii) formation of a “corrosion inhibitor film” that prevents severely attack and passivation from protons that generated from the solvent oxidation, even the decomposition of solvent cannot not mitigated. Effect of three exemplary electrolyte additives: (i) lithium difluoro(oxalato)borate (LiDFOB); (ii) 3-hexylthiophene (3HT); and (iii) tris(hexafluoro-iso-propyl)phosphate (HFiP), on LiNi 0.6 Mn 0.2 Co 0.2 O 2 (NMC 622) cathode were investigated to validate our hypothesis. It is demonstrated that understandings of both electrolyte additives and solvent are essential and careful balance between the cathode protection mechanism of additives and their side effects is critical to obtain optimum results. In conclusion, more importantly, this study opens up new directions of rational design of functional electrolyte additives for the next generation high-energy density lithium-ion chemistries.

25 ENERGY STORAGE↗
DOE OSTI2013

Diverse Secreted Effectors Are Required for Salmonella Persistence in a Mouse Infection Model

Salmonella enterica serovar Typhimurium causes typhoid-like disease in mice and is a model of typhoid fever in humans. One of the hallmarks of typhoid is persistence, the ability of the bacteria to survive in the host weeks after infection. Virulence factors called effectors facilitate this process by direct transfer to the cytoplasm of infected cells thereby subverting cellular processes. Secretion of effectors to the cell cytoplasm takes place through multiple routes, including two separate type III secretion (T3SS) apparati as well as outer membrane vesicles. The two T3SS are encoded on separate pathogenicity islands, SPI-1 and -2, with SPI-1 more strongly associated with the intestinal phase of infection, and SPI-2 with the systemic phase. Both T3SS are required for persistence, but the effectors required have not been systematically evaluated. In this study, mutations in 48 described effectors were tested for persistence. We replaced each effector with a specific DNA barcode sequence by allelic exchange and co-infected with a wild-type reference to calculate the ratio of wild-type parent to mutant at different times after infection. The competitive index (CI) was determined by quantitative PCR in which primers that correspond to the barcode were used for amplification. Mutations in all but seven effectors reduced persistence demonstrating that most effectors were required. One exception was CigR, a recently discovered effector that is widely conserved throughout enteric bacteria. Deletion of cigR increased lethality, suggesting that it may be an anti-virulence factor. The fact that almost all Salmonella effectors are required for persistence argues against redundant functions. This is different from effector repertoires in other intracellular pathogens such as Legionella.

Environmental Molecular Sciences Laboratory↗
NASA NTRS1988

A new synthetic route to a family of non-classical addition-type thermoplastics. I - Concept and demonstration

A synthesis scheme was developed for a host of nonclassical addition-type thermoplastics (ATT) that can be cured by an addition reaction, leading to a linear polymer structure. The synthesis involves the reaction of an acetylene-terminated prepolymer with either a bismaleimide (BMI) or a biscitraconimide. A new polymer, designated LaRC-RP80, synthesized using this scheme, was found to exhibit several significantly improved properties over the commercial BMI, Kerimid 601, including an eight-fold increase in toughness while maintaining a high Tg, a higher (by 167 C) heat stability, and a 50-percent increase in moisture resistance. In addition, LaRC-RP80 has good hot/wet lap shear strength and processes easily at 288 C without voids in the finished product.

Pater, Ruth H.↗
DOE OSTI2025

Energy-Aware Route Planning with RouteE Compass

This poster introduces RouteE Compass, a new tool that advances sustainable transportation by enabling energy-aware route planning across diverse vehicle types and large-scale road networks. By addressing practical trade-offs between energy consumption, travel time, and economic cost, RouteE Compass fills critical gaps in traditional routing methods, which often lack the flexibility to prioritize energy directly. The tool's scalability and high-performance computing capabilities allow for national-scale analyses, offering actionable insights for fleet operators, transit agencies, and researchers. As an open-source, extensible platform, RouteE Compass empowers ongoing research and innovation in energy-aware routing, supporting the broader goals of reducing emissions and enhancing transportation sustainability.

ADVANCED PROPULSION SYSTEMS,DIRECT ENERGY CONVERSI↗
NASA NTRS2003

Post-AGB Stars in Nearby Galaxies as Calibrators for HST

This report summarizes activities carried out with support from the NASA Ultraviolet, Visible, and Gravitational Astrophysics Research and Analysis Program under Grant NAG 5-6821. The Principal Investigator is Howard E. Bond (Space Telescope Science Institute). STScI Postdoctoral Associates Laura K. Fullton (1998), David Alves (1998-2001), and Michael Siegel (2001) were partially supported by this grant. The aim of the program is to calibrate the absolute magnitudes of post-asymptotic- giant-branch (post-AGB or PAGB) stars, which we believe will be an excellent new "standard candle" for measuring extragalactic distances. The argument is that, in old populations, the stars that are evolving through the PAGB region of the HR diagram arise from only a single main-sequence turnoff mass. In addition, theoretical PAGB evolutionary tracks show that they evolve through this region at constant luminosity; hence the PAGB stars should have an extremely narrow luminosity function. Moreover, as the PAGB stars evolve through spectral types F and A (en route from the AGB to hot stellar remnants and white dwarfs), they have the highest luminosities attained by old stars (both bolometrically and in the visual band). Finally, PAGB stars of these spectral types are very easily identified. because of their large Balmer jumps, which are due to their very low surface gravities. Our approach is first to identify PAGB stars in Milky Way globular clusters and in other Local Group galaxies, which are at known distances, and thus to measure accurate absolute magnitudes for the PAGB stars. With this Milky Way and Local Group luminosity calibration, we will then be in a position to find PAGB stars in more distant galaxies from the ground, and ultimately from the Hubble Space Telescope. and thus derive distances. These PAGB stars are, as noted above, the visually brightest members of Population II, and hence will allow distance measurements to galaxies that do not contain Cepheids, such as elliptical galaxies, as well as distances to spirals using PAGB stars in their halos. Moreover, the method is entirely independent of Cepheids. and thus provides a direct test of the Cepheid distance scale. The program will also provide information on the evolutionary lifetimes of PAGB stars.

Bond, Howard E.↗
NASA NTRS1998

Calibration of Post-AGB Supergiants as Standard Extragalactic Candles for HST

This report summarizes activities carried out with support from the NASA Ultraviolet, Visible, and Gravitational Astrophysics Research and Analysis Program. The aim of the program is to calibrate the absolute magnitudes of post-asymptotic-giant-branch (post-AGB or PAGB) stars, which we believe will be an excellent new "standard candle" for measuring extragalactic distances. The reason for this belief is that in old populations, the stars that are evolving through the PAGB region of the HR (Hertzsprung-Russell) diagram arise from only a single main-sequence turnoff mass. In addition, the theoretical PAGB evolutionary tracks show that they evolve through this region at constant luminosity; hence the PAGB stars should have an extremely narrow luminosity function. Moreover, as the PAGB stars evolve through spectral types F and A (en route from the AGB to hot stellar remnants and white dwarfs), they have the highest luminosities attained by old stars (both bolometrically and in the visual band). Finally, the PAGB stars of these spectral types are very easily identified, due to their large Balmer jumps, which are due to their very low surface gravities.

Bond, Howard E.↗