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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Configuration-interaction many-body-perturbation-theory energy levels of four-valent Si i

The mixed configuration-interaction (CI) many-body-perturbation-theory method is accurate in divalent atoms. In more complex atoms, with the number of valence electrons it becomes progressively more difficult to saturate CI space. Here in this study, a four-valence electron atom, Si i, is considered. It is found that by using a relatively small cavity of 30 a.u. and by choosing carefully configuration space, it is possible to obtain quite accurate agreement between the theory and experiment. After subtraction of systematic shifts of 481 and -426 cm -1 for the lowest even and odd states, respectively, the deviation between theory and experiment becomes at the level of 100 cm -1 . Finally, this agreement is comparable to that in divalent atoms where the CI saturation has been achieved. It is anticipated that the approach can also give good results for atoms with more valence electrons to be considered in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Antiferromagnetic structures and electronic energy levels at reconstructed NiO(111) surfaces: A DFT + U study

In this work, we studied how the surface reconstruction and passivation influence the antiferromagnetic and electronic structures of NiO(111) surface using first-principles electronic structure calculations. These features lead to a surprisingly wide variety of different surface electronic structures, and some surfaces are even metallic. Different reconstructions and surface passivation were also found to qualitatively alter the charge-transfer band gap type of bulk NiO. At the same time, the antiferromagnetic character of bulk NiO in the 111 direction is retained even near the surface, and the magnetic moment quickly converges to the bulk value within a few surface layers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

City-Level Energy Decision Making: Data Use in Energy Planning, Implementation, and Evaluation in U.S. Cities

The report analyzes and presents information learned from a sample of 20 cities across the United States, from New York City to Park City, Utah, including a diverse sample of population size, utility type, region, annual greenhouse gas reduction targets, vehicle use, and median household income. The report compares climate, sustainability, and energy plans to better understand where cities are taking energy-related actions and how they are measuring impacts. Some common energy-related goals focus on reducing city-wide carbon emissions, improving energy efficiency across sectors, increasing renewable energy, and increasing biking and walking.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Concentrating solar power: Concentrating optics for lower levelized energy costs (COLLECTS) (Final report)

This continuation is a synthesis of the first three tasks of the first year of the project. Hence, we try to follow as much as possible the outline of the SOPO instead of a purely chronological order. For each task, we remind the SOPO objective. We then present our approaches and our results. We start by discussing the objectives and results of the Task 1.1 that mainly consisted in investigating the unit cell of the metasurface concentrators. We then discuss the Task 1.2 that describes the strategies that can be used to design broad angle metasurfaces. Finally, we present the fabrication details and the experimental setups in the last part of the report that mainly corresponds to the Task 1.3.

14 SOLAR ENERGY↗
DOE OSTI2025

Fleet-Level Energy and Emissions Analysis of the US Off-Road Sector with VISION: Off-Road

In the United States (US), the off-road sector (i.e., agriculture, construction, etc.) contributes to approximately 10% of the country’s transportation greenhouse gas (GHG) emissions, similar to the aviation sector. The off-road sector is extremely diverse; as the EPA MOVES model classifies it into 11 sub-sectors, which include 85 different types of equipment. These equipment types have horsepower ranging from 1 to greater than 3000 and have very different utilization, which makes decarbonization a complex endeavor. To address this, Argonne’s on-road vehicle fleet model, VISION, has been expanded to the off-road sector. The GHG emission factors for several energy carriers (biofuels, electricity, and hydrogen) have been incorporated from Argonne’s GREET model for a sector-wide well-to-wheel (WTW) GHG emissions analysis of the present and future fleet. Several technology adoption and energy decarbonization scenarios were modeled to better understand the appropriate actions required to drive towards net-zero emissions of the off-road sector. Results show that WTW decarbonization up to 67% can be achieved from 2023 to 2050 in a business-as-usual scenario. But with aggressive sales increases of electric and hydrogen powertrains, WTW decarbonization up to 77% can be achieved, which can further increase to 85% if electricity production is aggressively decarbonized by 2035.

lifecycle↗
NASA NTRS1971

Energy levels and mean lives of Cl II to Cl VII.

Investigation of the spectra of chlorine between 500 and 2800 A using the beam-foil technique. Over 200 multiplets have been observed, many of which had not been reported earlier. A number of such transitions could be classified, and several new term values are proposed for Cl IV, Cl V, Cl VI , and Cl VII. Mean lives of various excited levels were measured for Cl II to Cl VII. The results are compared with theoretical calculations and other measurements in appropriate isoelectronic systems.

Bashkin, S.↗