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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Impact of Paint Color on Rest Period Climate Control Loads in Long-Haul Trucks: Preprint

Cab climate conditioning is one of the primary reasons for operating the main engine in a long-haul truck during driver rest periods. In the United States, sleeper cab trucks use approximately 667 million gallons of fuel annually for rest period idling. The U.S. Department of Energy's National Renewable Energy Laboratory's (NREL) CoolCab Project works closely with industry to design efficient thermal management systems for long-haul trucks that minimize engine idling and fuel use while maintaining occupant comfort. Heat transfer to the vehicle interior from opaque exterior surfaces is one of the major heat pathways that contribute to air conditioning loads during long-haul truck daytime rest period idling. To quantify the impact of paint color and the opportunity for advanced paints, NREL collaborated with Volvo Group North America, PPG Industries, and Dometic Environmental Corporation. Initial screening simulations using CoolCalc, NREL's rapid HVAC load estimation tool, showed promising air-conditioning load reductions due to paint color selection. Tests conducted at NREL's Vehicle Testing and Integration Facility using long-haul truck cab sections, 'test bucks,' showed a 31.1% of maximum possible reduction in rise over ambient temperature and a 20.8% reduction in daily electric air conditioning energy use by switching from black to white paint. Additionally, changing from blue to an advanced color-matched solar reflective blue paint resulted in a 7.3% reduction in daily electric air conditioning energy use for weather conditions tested in Colorado. National-level modeling results using weather data from major U.S. cities indicated that the increase in heating loads due to lighter paint colors is much smaller than the reduction in cooling loads.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2026

Best practices in software development for robust and reproducible geoscientific models based on insights from the Global Carbon Budget's dynamic vegetation models

Computational models play an increasingly vital role in scientific research by enabling the numerical simulation of complex processes. Such models are also fundamental in geosciences. For instance, they offer critical insights into the impacts of global change on the Earth system today and in the future. Beyond their value as research tools, models are also software products and should therefore adhere to certain established software engineering standards. However, scientists are rarely trained as software developers, which can lead to potential deficiencies in software quality like unreadable, inefficient, or erroneous code. The complexity of models, coupled with their integration into broader workflows, also often makes it challenging to reproduce results, evaluate processes, and build upon them. In this paper, we review the state and current practices of the development processes of the state-of-the-art land surface models used by the Global Carbon Budget. We combine the experience of modelers from the respective research groups with the expertise of software engineers from tech companies to outline key principles and tools for improving software quality in research. We explore four main areas: (1) model testing and validation, (2) scientific, technical, and user documentation, (3) version control, continuous integration, and code review, and (4) the portability and reproducibility of workflows. Our review reveals that while modeling communities are incorporating many best practices, significant room for improvement remains in areas such as automated testing, automated documentation, and reproducibility. Therefore, we here identify and promote essential software engineering practices, including numerous examples of practices from within the community that can serve as guidelines for other models and could help streamline processes across the entire community. We conclude with an open-source example implementation of these principles, demonstrating portable and reproducible data flows, a continuous integration setup, and web-based visualizations. This example may serve as a practical resource for model developers, users, and all scientists engaged in scientific programming.

Gregor, Konstantin [Technical Univ. of Munich (Ger↗
DOE OSTI2012

Density Functional Theory Calculations of Mass Transport in UO2

In this talk we present results of density functional theory (DFT) calculations of U, O and fission gas diffusion in UO{sub 2}. These processes all impact nuclear fuel performance. For example, the formation and retention of fission gas bubbles induce fuel swelling, which leads to mechanical interaction with the clad thereby increasing the probability for clad breach. Alternatively, fission gas can be released from the fuel to the plenum, which increases the pressure on the clad walls and decreases the gap thermal conductivity. The evolution of fuel microstructure features is strongly coupled to diffusion of U vacancies. Since both U and fission gas transport rates vary strongly with the O stoichiometry, it is also important to understand O diffusion. In order to better understand bulk Xe behavior in UO{sub 2{+-}x} we first calculate the relevant activation energies using DFT techniques. By analyzing a combination of Xe solution thermodynamics, migration barriers and the interaction of dissolved Xe atoms with U, we demonstrate that Xe diffusion predominantly occurs via a vacancy-mediated mechanism. Since Xe transport is closely related to diffusion of U vacancies, we have also studied the activation energy for this process. In order to explain the low value of 2.4 eV found for U migration from independent damage experiments (not thermal equilibrium) the presence of vacancy clusters must be included in the analysis. Next we investigate species transport on the (111) UO{sub 2} surface, which is motivated by the formation of small voids partially filled with fission gas atoms (bubbles) in UO{sub 2} under irradiation. Surface diffusion could be the rate-limiting step for diffusion of such bubbles, which is an alternative mechanism for mass transport in these materials. As expected, the activation energy for surface diffusion is significantly lower than for bulk transport. These results are further discussed in terms of engineering-scale fission gas release models. Finally, oxidation of UO{sub 2} and the importance of cluster formation for understanding thermodynamic and kinetic properties of UO{sub 2+x} are investigated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

Method and system for laser-based formation of micro-shapes in surfaces of optical elements

A method of forming a surface feature extending into a sample includes providing a laser operable to emit an output beam and modulating the output beam to form a pulse train having a plurality of pulses. The method also includes a) directing the pulse train along an optical path intersecting an exposed portion of the sample at a position i and b) focusing a first portion of the plurality of pulses to impinge on the sample at the position i. Each of the plurality of pulses is characterized by a spot size at the sample. The method further includes c) ablating at least a portion of the sample at the position i to form a portion of the surface feature and d) incrementing counter i. The method includes e) repeating steps a) through d) to form the surface feature. The sample is free of a rim surrounding the surface feature.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Apparatus for mixing fuel in a gas turbine

A combustor nozzle includes an inlet surface and an outlet surface downstream from the inlet surface, wherein the outlet surface has an indented central portion. A plurality of fuel channels are arranged radially outward of the indented central portion, wherein the plurality of fuel channels extend through the outlet surface.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2016

Method and system for providing cooling for turbine components

A system for providing cooling for a turbine component that includes an outer surface exposed to combustion gases is provided. A component base includes at least one fluid supply passage coupleable to a source of cooling fluid. At least one feed passage communicates with the at least one fluid supply passage. At least one delivery channel communicates with the at least one feed passage. At least one cover layer covers the at least one feed passage and the at least one delivery channel, defining at least in part the component outer surface. At least one discharge passage extends to the outer surface. A diffuser section is defined in at least one of the at least one delivery channel and the at least one discharge passage, such that a fluid channeled through the system is diffused prior to discharge adjacent the outer surface.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2017

Low friction wear resistant graphene films

A low friction wear surface with a coefficient of friction in the superlubric regime including graphene and nanoparticles on the wear surface is provided, and methods of producing the low friction wear surface are also provided. A long lifetime wear resistant surface including graphene exposed to hydrogen is provided, including methods of increasing the lifetime of graphene containing wear surfaces by providing hydrogen to the wear surface.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Method for deploying and recovering a wave energy converter

A system for transporting a buoy and a heave plate. The system includes a buoy and a heave plate. An outer surface of the buoy has a first geometrical shape. A surface of the heave plate has a geometrical shape complementary to the first geometrical shape of the buoy. The complementary shapes of the buoy and the heave plate facilitate coupling of the heave plate to the outer surface of the buoy in a transport mode.

42 ENGINEERING↗
DOE OSTI2020

Optimizing multichannel luminaire control using a color efficient matrix

The described embodiments relate to multichannel luminaires (102, 212, 404) that employ a color coefficient matrix (CCM) that can be used to adjust an operation of the multichannel luminaires according to their contribution of light to an area (112, 402). The CCM can be generated based on images captured within the area and/or a software simulation that approximates the contribution of light from the multichannel luminaires to the area. Once the CCM has been generated, the CCM can be used to compensate control signals to each multichannel luminaire in order to provide more accurate color rendering and uniform light distribution. Furthermore, feedback from embedded sensors (206) in the multichannel luminaires and/or sensors (116, 208, 210, 418) in the area can provide further basis for compensating control signals according to the qualities of the natural and artificial light entering the area, and the effects of different surfaces (128) on the light.

42 ENGINEERING↗
DOE OSTI2020

Thermionic cathode with a graphene sealing layer and method of making the same

According to an embodiment of the present disclosure, a thermionic cathode includes: a cathode body having an outer surface, and a sealing layer including one or more graphene sheets on the outer surface of the cathode body. According to another embodiment of the present disclosure, a method for manufacturing a thermionic cathode includes: depositing a sealing layer including one or more graphene sheets on an outer surface of a cathode body.

42 ENGINEERING↗
DOE OSTI2016

TEMPERATURE STRUCTURE AND ATMOSPHERIC CIRCULATION OF DRY TIDALLY LOCKED ROCKY EXOPLANETS

Next-generation space telescopes will observe the atmospheres of rocky planets orbiting nearby M-dwarfs. Understanding these observations will require well-developed theory in addition to numerical simulations. Here we present theoretical models for the temperature structure and atmospheric circulation of dry, tidally locked rocky exoplanets with gray radiative transfer and test them using a general circulation model (GCM). First, we develop a radiative-convective (RC) model that captures surface temperatures of slowly rotating and cool atmospheres. Second, we show that the atmospheric circulation acts as a global heat engine, which places strong constraints on large-scale wind speeds. Third, we develop an RC-subsiding model which extends our RC model to hot and thin atmospheres. We find that rocky planets develop large day–night temperature gradients at a ratio of wave-to-radiative timescales up to two orders of magnitude smaller than the value suggested by work on hot Jupiters. The small ratio is due to the heat engine inefficiency and asymmetry between updrafts and subsidence in convecting atmospheres. Fourth, we show, using GCM simulations, that rotation only has a strong effect on temperature structure if the atmosphere is hot or thin. Our models let us map out atmospheric scenarios for planets such as GJ 1132b, and show how thermal phase curves could constrain them. Measuring phase curves of short-period planets will require similar amounts of time on the James Webb Space Telescope as detecting molecules via transit spectroscopy, so future observations should pursue both techniques.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Phenyl Functionalization of Atomically Precise Graphene Nanoribbons for Engineering Inter-ribbon Interactions and Graphene Nanopores

Graphene nanoribbons (GNRs) attract a great attention from researchers due to their tunable physical properties and potential for becoming nanoscale building blocks of electronic devices. GNRs can be synthesized with atomic precision by on-surface approaches from specially designed molecular precursors. While a considerable number of ribbons with very diverse structures and properties have been demonstrated in recent years, there have been only limited examples of on-surface synthesized GNRs modified with functional groups. In this study, we designed a nanoribbon, in which the chevron GNR backbone is decorated with phenyl functionalities, and demonstrate the on-surface synthesis of these GNRs on Au(111). We show that the phenyl modification affects the assembly of the GNR polymer precursors through π-π interactions. Scanning tunneling spectroscopy of the modified GNRs on Au(111) revealed that they have a band gap of 2.50±0.02 eV, which is comparable to that of the parent chevron GNR. The phenyl functionalization leads to a shift of the band edges to lower energies, suggesting that it could be a useful tool for the GNR band structure engineering. We also investigated lateral fusion of the phenyl-modified GNRs and demonstrate that it could be used to engineer different kinds of atomically precise graphene nanopores. A similar functionalization approach could be potentially applied to other GNRs to affect their on-surface assembly, modify their electronic properties, and realize graphene nanopores with a variety of structures.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Soot-particle core-shell and fractal structures from small-angle X-ray scattering measurements in a flame

We have characterized soot particles measured in situ in a laminar co-flow ethylene-air diffusion flame using small-angle X-ray scattering (SAXS). The analysis includes temperature measurements made with coherent anti-Stokes Raman spectroscopy (CARS) and complements soot volume-fraction and maturity measurements made with laser-induced incandescence (LII). We compared the results of fits to the SAXS measurements using a unified model and a fractal core-shell model. Power-law parameters yielded by the unified model indicate that aggregates of primary particles are in the mass-fractal regime, whereas the primary particles are in the surface-fractal regime in the middle of the flame. Higher and lower in the flame, the primary-particle power-law parameter approaches 4, suggesting smooth primary particles. Furthermore, these trends are consistent with fits using the fractal core-shell model, which indicate that particles have an established core-shell structure in the middle of the flame and are internally homogeneous at higher and lower heights in the flame. Primary-particle size distributions derived using the fractal core-shell model demonstrate excellent agreement with distributions inferred from transmission electron microscopy (TEM) images in the middle of the flame. Higher in the flame, a second small mode appears in the size distributions, suggesting particle fragmentation during oxidation. Surface oxidation would explain (1) aggregate fragmentation and (2) loss of core-shell structure leading to smoother primary-particle surfaces by removal of carbon overlayers. SAXS measurements are much more sensitive to incipient and young soot particles than LII and demonstrate significant volume fraction from particles low in the flame where the LII signal is negligible.

42 ENGINEERING↗
DOE OSTI2021

Ni 3 Si 2 nanowires for efficient electron field emission and limitations of the Fowler–Nordheim model

This article reports on top-down nanofabricated Ni 3 Si 2 nanowires and tests of their electron field emission capabilities. Here, the results include low turn-on electric field, E ON , moderate work function, Φ, and the field enhancement factor, β, customizable through nanofabrication. The article also reports on the issues ahead in the field of nanowires-based electron mission, as there are quantitative limitations of the applicability of the Fowler–Nordheim model, which will become increasingly apparent as we continue to optimize the field emission of electrons. To this end, we suggest adding the studies of surface-to-volume ratio effects of the nanowires as another standard for comparison in order to lead to the input form of the density of states as quantum effects becoming more prominent.

42 ENGINEERING↗
DOE OSTI2012

Engineering shallow spins in diamond with nitrogen delta-doping

We demonstrate nanometer-precision depth control of nitrogen-vacancy (NV) center creation near the surface of synthetic diamond using an in situ nitrogen delta-doping technique during plasma-enhanced chemical vapor deposition. Despite their proximity to the surface, doped NV centers with depths (d) ranging from 5 to 100 nm display long spin coherence times, T{sub 2} > 100 {mu}s at d = 5 nm and T{sub 2} > 600 {mu}s at d {>=} 50 nm. The consistently long spin coherence observed in such shallow NV centers enables applications such as atomic-scale external spin sensing and hybrid quantum architectures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Tailored Solvent Treatment for Optimized Production of Upcycled Anodes from End-Of-Life Li-Ion Batteries

Recycling processes for lithium-ion batteries typically overlook graphite because of its lower market value relative to that of transition-metal-containing cathode materials. However, graphite recovered from cycled lithium-ion batteries holds additional engineered value associated with the solid-electrolyte interphase (SEI). The SEI contributes critical electronic passivation of the graphite surface but becomes highly resistive with extended cycling, yielding poor cell performance. In this work, we apply tailored solvent treatment to end-of-life (EOL) graphite anodes to selectively remove adverse SEI components while retaining beneficially passivating species. We evaluate a series of polar protic solvents to achieve targeted removal of SEI components and control selectivity through rational variation in solvent properties. The physiochemical properties of treatment solvents correlate with both the retained SEI composition and the corresponding electrochemical performance of solvent-treated “upcycled” graphite anodes. Within the initial set of solvents evaluated, top-performing candidates show capacity and Coulombic efficiency nearly equivalent to those of an analogous pristine anode, as well as promising electrochemical performance enhancement with regard to irreversible capacity-loss metrics. This study establishes critical design principles for an optimized anode upcycling method that enhances the value of recycled graphite by retaining and upgrading the SEI.

25 ENERGY STORAGE↗