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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 OSTI2021

Atomic Gradient Structures: Atomic Gradient Structure Alters Electronic Structure in 3D across the Bulk and Enhances Photoactivity

Understanding structure–function relationships enables the design of materials with tailored functionalities. The long-standing challenge is to design materials with high active volume to improve the efficiency. Tailored grain boundaries and lattice defects are traditionally used to tune the electronic structure near interfaces or defects to promote electron and hole separation. However, the active volume of point defect sites or interfaces in these traditional photocatalysts is extremely low. In this work, we report a structure with continuous atomic positional deformation across the bulk, altering the electronic structure in three-dimension and creating a significantly high active volume. Such a structure in anatase is obtained and tuned by phase transformation during heating process. Transmission electron microscopy and density functional theory results reveal that atomic deformations result in continuous band bending across the particles, facilitating electron–hole separation, inhibiting their recombination, and inducing dramatically enhanced photoactivity. These findings enable a different materials design paradigm that can potentially be harnessed for a broad range of applications.

TiO2↗
DOE OSTI2021

Atomic Gradient Structure Alters Electronic Structure in 3D across the Bulk and Enhances Photoactivity

Abstract Understanding structure–function relationships enables the design of materials with tailored functionalities. The long‐standing challenge is to design materials with high active volume to improve efficiency. Tailored grain boundaries and lattice defects are traditionally used to tune the electronic structure near interfaces or defects to promote electron and hole separation. However, the active volume of point defect sites or interfaces in these traditional photocatalysts is extremely low. This study reports a structure with continuous atomic positional deformation across the bulk, altering the electronic structure in 3D and creating a significantly higher active volume. Such a structure in anatase is obtained and tuned by phase transformation during the heating process. Transmission electron microscopy and density functional theory results reveal that atomic deformations result in continuous band bending across the particles, facilitating electron–hole separation, inhibiting their recombination, and inducing dramatically enhanced photoactivity. These findings enable a different materials design paradigm that can potentially be harnessed for a broad range of applications.

Ren, Peng↗
DOE OSTI2023

Transitional Structures with Continuous Variations in Atomic Positions from Anatase to Rutile Improve Photocatalytic Activity

Abstract TiO 2 polymorphs have distinct properties that are widely employed in various applications. However, mechanisms of transformations between these polymorphs are not fully understood, especially at atomic scale, inhibiting advancing the design and application of the transitional phases. Here, based on results from semi‐in situ transmission electron microscopy, density functional theory, and X‐ray photoemission experiments, a physical picture of transitional structures is discovered, in which continuous variations in atomic positions form along a previously unreported anatase‐to‐rutile phase transformation path of [010] A –to–[] R and (004) A –to– (011) R . These gradient structures give rise to continuous band bending, which promotes electron‐hole separation and inhibits their recombination across the bulk of the particles, leading to a large functionally active volume fraction and resulting in high photoactivity. These findings suggest that interphase matter based on extended gradient structures can be designed to advance new functions not achievable using abrupt interfaces.

36 MATERIALS SCIENCE↗
NASA NTRS2018

Large Scale Cryogenic Storage with Active Refrigeration

Storage and transfer of cryogenic liquefied gases on volume scales from under 10 liters for lab use, up to hundreds of millions of liters for industrial applications is of paramount importance across a vast range of industries. Traditionally, these commodities have been stored at or near the normal boiling point due to relative ease of operation and safety-related considerations; however, this also means that some percentage will always be lost due to environmental heat leaking into the vessel and causing boil-off. These losses become more concerning as scales increase, and are of particular importance for high-cost commodities such helium and hydrogen. Additionally, the normal boiling point marks the highest liquid density achievable; which becomes a strong driver of end-use system designs such as space launch vehicles. Recent development and testing of an Integrated Refrigeration and Storage (IRAS) system for liquid hydrogen has proven that next generation cryogenic storage operations such as zero boil-off and densification are feasible on a large scale. This IRAS system married an 850 Watt at 20 Kelvin reverse-Brayton cycle commercial cryogenic refrigerator with a 125,000 liter LH2 storage tank via and internal tubular heat exchanger. This allowed heat to be removed directly from the hydrogen, and by extension, provided a means to control the bulk thermodynamic state. Zero boil-off, in-situ liquefaction, and densification down to the triple point was performed during testing, and data such as fluid temperature profiles and tank pressure were gathered. Details regarding the design, setup, and testing of the IRAS system are discussed herein, and the data used to anchor various physics models created to predict the behavior of the system during transient and steady state operation. It is hoped that these efforts will provide a useful basis for the design and implementation of future large scale IRAS systems across numerous industries.

Swanger, Adam M.↗
NASA NTRS2016

Photospheric Current Spikes and Their Possible Association with Flares - Results from an HMI Data Driven Model

A data driven, near photospheric magnetohydrodynamic model predicts spikes in the horizontal current density, and associated resistive heating rate per unit volume Q. The spikes appear as increases by orders of magnitude above background values in neutral line regions (NLRs) of active regions (ARs). The largest spikes typically occur a few hours to a few days prior to M or X flares. The spikes correspond to large vertical derivatives of the horizontal magnetic field. The model takes as input the photospheric magnetic field observed by the Helioseismic & Magnetic Imager (HMI) on the Solar Dynamics Observatory (SDO) satellite. This 2.5 D field is used to determine an analytic expression for a 3 D magnetic field, from which the current density, vector potential, and electric field are computed in every AR pixel for 14 ARs. The field is not assumed to be force-free. The spurious 6, 12, and 24 hour Doppler periods due to SDO orbital motion are filtered out of the time series of the HMI magnetic field for each pixel using a band pass filter. The subset of spikes analyzed at the pixel level are found to occur on HMI and granulation scales of 1 arcsec and 12 minutes. Spikes are found in ARs with and without M or X flares, and outside as well as inside NLRs, but the largest spikes are localized in the NLRs of ARs with M or X flares. The energy to drive the heating associated with the largest current spikes comes from bulk flow kinetic energy, not the electromagnetic field, and the current density is highly non-force free. The results suggest that, in combination with the model, HMI is revealing strong, convection driven, non-force free heating events on granulation scales, and that it is plausible these events are correlated with subsequent M or X flares. More and longer time series need to be analyzed to determine if such a correlation exists. Above an AR dependent threshold value of Q, the number of events N(Q) with heating rates greater than or equal to Q obeys a scale invariant power law distribution for each AR given by N(Q) varies Q(sup -s), where 0.40 less than or equal to S less than or equal to 0.53, with a mean and standard deviation across the 14 ARs of 0.47 and 0.045, showing there is little variation of S from one AR to another. These properties of N(Q) are in close agreement with those of the distribution N(E) for the total energy E of solar flares, determined from observations to be N(E) = constant x E(sup -alpha). From observations of nanoflares in the 0.7 to 4 MK range, and from observations of flares in hard X-rays, it is found that 0.51 less than or equal to alpha less than or equal to 0.57, and 0.4 less than or equal to alpha less than or equal to 0.6, respectively (Crosby et al. 1993, Sol. Phys., 143, 275; Aschwanden & Parnell 2002, ApJ, 572, 1048). Observations also show that, as is found here for the exponent S, there is little variation of alpha with AR (Wheatland 2000, ApJ, 532, 1209), indicating N(E) and N(Q) are largely independent of individual properties of ARs such as area, total magnetic flux, and distribution of current density (i.e. non-potentiality). Therefore the power law scaling of the photospheric heating rate Q computed here on granulation scales is essentially identical to that found for coronal observations of flare energies on scales 1-2 orders of magnitude larger. This suggests the physical mechanisms that cause Q and coronal flares are closely related. It seems likely that Q is the signature of a magnetic reconnection process in an energy range and volume orders of magnitude smaller than those of flares. In this context, at least the larger spikes in Q might be signatures of UV photospheric or lower chromospheric bombs in which plasma is heated to temperatures approximately 10(exp -5) K (Peter et al. 2014, Science 346, 1255726; Judge 2015, ApJ, 808, 116). In addition, lattice based avalanche simulations of flare energy release predict 0.4 less than or equal to alpha less than or equal to 0.5, while analytic, fractal-diffusive self-organized criticality models predict 0.4 less than or equal to alpha less than or equal to 0.67, in excellent agreement with observations, and the results presented here (Aschwanden & Parnell 2002, ApJ, 572, 1048; Aschwanden 2012, A&A, 539, A2; Aschwanden 2013, in "Self Organized Criticality Systems"; Aschwanden et al. 2016, SSR, 198, 47).

Goodman, Michael↗
DOE OSTI2021

Bringing function to structure: Root–soil interactions shaping phosphatase activity throughout a soil profile in Puerto Rico

Abstract Large areas of highly productive tropical forests occur on weathered soils with low concentrations of available phosphorus (P). In such forests, root and microbial production of acid phosphatase enzymes capable of mineralizing organic phosphorus is considered vital to increasing available P for plant uptake. We measured both root and soil phosphatase throughout depth and alongside a variety of root and soil factors to better understand the potential of roots and soil biota to increase P availability and to constrain estimates of the biochemical mineralization within ecosystem models. We measured soil phosphatase down to 1 m, root phosphatase to 30 cm, and collected data on fine‐root mass density, specific root length, soil P, bulk density, and soil texture using soil cores in four tropical forests within the Luquillo Experimental Forest in Puerto Rico. We found that soil phosphatase decreased with soil depth, but not root phosphatase. Furthermore, when both soil and root phosphatase were expressed per soil volume, soil phosphatase was 100‐fold higher that root phosphatase. Both root and soil factors influenced soil and root phosphatase. Soil phosphatase increased with fine‐root mass density and organic P, which together explained over 50% of the variation in soil phosphatase. Over 80% of the variation in root phosphatase per unit root mass was attributed to specific root length (positive correlation) and available (resin) P (negative correlation). Synthesis : Fine‐root traits and soil P data are necessary to understand and represent soil and root phosphatase activity throughout the soil column and across sites with different soil conditions and tree species. These findings can be used to parameterize or benchmark estimates of biochemical mineralization in ecosystem models that contain fine‐root biomass and soil P distributions throughout depth.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRSDate not supplied

NASA LSII Lunar Simulant Project

Introduction: America has entered a new era of exploration. NASA’s Artemis program will lead humanity forward to the Moon and prepare us for the next giant leap, the exploration of Mars [1]. To champion technologies needed to live on and explore the Moon, NASA’s Space Technology Mission Directorate (STMD) established the Lunar Surface Innovation Initiative (LSII)[2].LSII's technology development portfolio includes: Utilizing the Moon’s resources; Establishing sustainable surface power; Building machinery and electronics that work in extreme environments, like super-chilly permanently shadowed craters; Mitigating lunar dust; Carrying out surface excavation, manufacturing and construction duties; and Extreme access which includes navigating and exploring the surface/subsurface. To support the development and testing of these technologies, LSII created the lunar simulant project, to create and/or acquire low-, medium-and high-fidelity lunar simulants to match the needs of STMD projects at all levels of technology readiness levels (TRL), as well as other NASA programs. There is not one bulk lunar simulant that will satisfy the needs of all projects. NASA's Approach to Simulants: Just as LSII's activities are being implemented through a combination of unique NASA work and public-private partnerships, NASA will work with commercial simulant providers to acquire simulants that meet NASA's needs. If warranted, NASA will develop simulants using government agencies, as was done with the NASA/USGS Lunar Highlands Type (NU-LHT)series of lunar simulants [3].NASA is also collaborating with the Johns Hopkins University Applied Physics Laboratory(JHUAPL) Lunar Surface Innovation Consortium (LSIC) in the development and characterization of lunar simulants [4]. Within NASA, a small team (< 10 people) is coordinating simulant activities across the agency, with team members located at several NASA centers. The overall objective of the project is to procure lunar simulants in sufficient amounts for earth-based testing of subsystems and systems in a variety of environments (i.e., laboratory, high-bay, thermal-vacuum chambers), required for Artemis missions to the Moon, as well as other missions carrying NASA lunar payloads, such as the Commercial Lunar Payload Services (CLPS)program [5]. Lunar Highlands Simulant: NASA's Artemis Program is targeting the lunar south pole region for initial human missions and the Artemis Base Camp. Hence, the LSII lunar simulant project is currently focusing on the mineralogy and properties of lunar highlands regolith [6 and 7]. Plagioclase-rich rocks (e.g., anorthosite, norite) are the dominant constituent in highlands simulants, with Shawmere, Stillwater, and White Mountain anorthosites being used in commercially available simulants. However, because these feedstocks are terrestrial in nature, they include hydrated minerals, carbon-bearing minerals, and other chemical signatures that are not present on the Moon, and these minor mineral assemblages need to be taken into account when trying to understand test procedures and results. Glass Component: While much attention has been placed on the rock/mineral component of lunar simulants, glass is just as important when creating simulants. The glass component in lunar regoliths is often greater than 50% by volume [8]. This component includes impact melt glass, dark matrix breccias, and agglutinates. However, this component is difficult, time-consuming and expensive to make. Most lunar simulants, past and current, have relied on basaltic cinder as a feedstock for glass. Getting better glass components at a lower cost, particularly agglutinates and glass with an anorthositic composition is a near-term objective that the NASA simulant project is trying to address . Characterization: It is extremely important for lunar simulants to be characterized by several analytical methods. Gruener et al. [9] and JHUAPL LSIC [10] conducted initial assessments of some of the commercially available simulants in 2019 and early 2020, before the global pandemic. Further analyses are needed to better quantify important parameters such as, modal mineralogy and glass content, particle shape, and particle size distribution. These quantified results can then be used in determining figures of merit (FOM) that show how well simulants compare to lunar regolith [11 and 12].

J E Gruener↗