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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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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on BAsO4 by Materials Project

BAsO4 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with four equivalent AsO4 tetrahedra. All B–O bond lengths are 1.48 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. There is two shorter (1.71 Å) and two longer (1.72 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one B3+ and one As5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaSO4 by Materials Project

BaSO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.81–3.13 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.48–1.51 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one S6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BAsO4 by Materials Project

BAsO4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. B3+ is bonded to four equivalent O2- atoms to form BO4 tetrahedra that share corners with four equivalent AsO4 tetrahedra. All B–O bond lengths are 1.48 Å. As5+ is bonded to four equivalent O2- atoms to form AsO4 tetrahedra that share corners with four equivalent BO4 tetrahedra. All As–O bond lengths are 1.72 Å. O2- is bonded in a bent 120 degrees geometry to one B3+ and one As5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaSO4 by Materials Project

BaSO4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve equivalent O2- atoms. All Ba–O bond lengths are 3.09 Å. S6+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.49 Å. O2- is bonded in a single-bond geometry to three equivalent Ba2+ and one S6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Global Sensitivity Analysis of a Reactive Transport Model for Mineral Scale Formation During Hydraulic Fracturing

Injection of water-based hydraulic fracturing fluid (HFF) into tight shale gas/oil formations can increase formation permeability and enhance production rates, but this process frequently causes mineral scale formation that can occlude pore space and hinder flow. To identify the most important factors that control the formation of mineral scales, we applied a novel global sensitivity analysis method—distance-based generalized sensitivity analysis (DGSA)—to a reactive transport model (RTM) that was previously built and calibrated to simulate precipitation of barite [BaSO4] and iron (hydr)oxide [Fe(OH) 3 ] in shale matrices and on fracture surfaces. Reactive transport simulations were run with model parameters randomly sampled based on assigned uncertainties. Modeling results for barite and Fe(OH)3 formation were clustered using machine-learning algorithms. A list of ranked critical input parameters was obtained after statistical quantification of cumulative distribution functions of input parameters. We found that barite formation is most sensitive to the rate of sulfate ion generation, which is determined by the pyrite dissolution rate coefficient and oxidant availability. In addition, barite formation is sensitive to the initial amounts of barite in HFF and shale, followed by barite thermodynamics/kinetics. For Fe(OH) 3 formation, the ranked factors are Fe(OH)3 precipitation rate coefficients, initial HFF pH, initial Fe(OH) 3 amount in HFF, and oxidant availability. Overall, our results provide insights into managing mineral scale formation during hydraulic fracturing to enhance production. Meanwhile, this study serves as an example of global sensitivity analysis of RTMs using the efficient, straightforward, and open-source DGSA method.

58 GEOSCIENCES↗
DOE OSTI2026

Radiative Cooling Paints: Application on Warehouses and Integration with Phase Change Materials

Despite extensive research on radiative cooling (RC), researchers are still working to understand its best implementation strategy and potential benefits. Understanding this could be an instrumental part of reducing building energy costs and combating climate change. In this work, we introduce two concepts to achieve this goal and broaden the application of RC paints. While building energy simulations for RC are common, most studies focus on single-layer paints in residential settings. Limited research exists on warehouses, and no literature has conducted multi-climate zone analyses or included RC technologies with >90% reflectance. As RC technology advances in efficiency, versatility, and affordability, large-scale simulations across diverse climates are crucial, particularly for warehouses as a passive indoor temperature control solution. Here, a TRNSYS-modeled single-story warehouse assesses the energy impact of BaSO4-based RC paints. Another under-explored RC application is its integration with phase change materials (PCMs), which provide thermal regulation via latent heat storage. Though RC and PCMs have been combined by placing PCMs atop, beneath, or within RC layers, studies focus on either experiments or modeling, with no validation between the two. Here, we develop a simple RC+PCM experimental and modeling setup, placing RC paint atop an aluminum cell filled with a Rubitherm PCM.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗