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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Coupling Surface Flow with High-performance Subsurface Reactive Flow and Transport Code PFLOTRAN

Water exchange between the surface and subsurface is important for both water resource management and environmental protection. In this paper, we develop coupled surface and subsurface flow simulation capability in a parallel subsurface flow and reactive transport code PFLOTRAN. We sequentially couple the diffusion wave-based surface flow with the subsurface flow governedby the Richards equation in PFLOTRAN. These two flow domains are linked with a boundary condition switching method that ensures continuity of pressure and flux at the surface-subsurface interface. We verify the coupled code against other existing hydrologic models and observation data using a number of numerical experiments. The coupled hydrological model exhibits good performance in strong parallel scaling tests. The new coupled surface and subsurface simulator significantly advance community simulation capability towards improving integrated hydrologic and biogeochemical understanding of complex systems such as watersheds and river corridors. Keywords: Surface flow, Integrated hydrological modeling, Boundary condition switching, Parallel computing

Wu, Runjian↗
DOE OSTI2021

Root carbon interation with soil minerals is dynamic, leaving a legacy of microbially derived residues

Minerals preserve the oldest most persistent soil carbon, and mineral characteristics appear to play a critical role in the formation of soil organic matter (SOM) associations. To test the hypothesis that carbon source and soil microorganisms also influence mineral-SOM associations, we incubated permeable minerals bags in soil microcosms with and without plants, in a 13CO2 labelling chamber. Mineral bags contained quartz, ferrihydrite, kaolinite, or native soil minerals isolated via density separation. Using 13C-NMR, FTICR-MS, and lipidomics, we traced plant-derived carbon onto minerals harvested from microcosms at three plant growth stages, characterizing total carbon, 13C enrichment, and SOM chemistry. While C accumulation was rapid and mineral-dependent, the accumulated amount was not significantly affected by the presence of plant roots. However, the rhizosphere did shape the chemistry of mineral-associated SOM. Minerals incubated in the rhizosphere were associated with a more diverse array of compounds with different C functional groups (carbonyl, aromatics, carbohydrates, lipids) than minerals incubated in a bulk soil control. These diverse rhizosphere-derived compounds may represent a “transient fraction” of mineral SOM, rapidly exchanging with mineral surfaces. Our results also suggest that many of the lipids which persist on minerals are microbially-derived with a large fraction of fungal lipids.

Rhizosphere, soil organic matter, grassland, 13C-N↗
DOE OSTI2023

Boosting the Low-Temperature Performance of Graphite Anodes by Creating an Electrochemically Active Interface

Graphite is the major anode material used in commercial lithium-ion batteries (LIBs). However, the sluggish ion-transfer kinetics associated with graphite anodes significantly restrict the operation of LIBs over a wide temperature. This is primarily due to their low reversible capacity and the substantial overpotential exhibited under low-temperature conditions. To address this limitation, we demonstrate herein an approach that involves grafting an electrochemically active lithium benzenesulfonate layer onto a graphite surface through a typical reduction reaction of diazonium cations, followed by ion exchange process. This surface modification reduces the charge transfer resistance of graphite anodes, leading to an excellent reversible capacity of ~150 mAh g –1 at low-temperatures (-20 °C, 0.1C). Electrochemical impedance spectroscopy indicates that both desolvation of the lithium ions outside the graphite, and lithium diffusion within the solid electrolyte interphase and graphite lattice are two crucial rate-limiting steps during the Li (de)lithiation, with the latter dominating during the low-temperature operation. In conclusion, these findings demonstrate a facile method for enhancing the low-temperature performance of graphite through surface modification and provide valuable insights into fundamental understandings that can guide the future design of better -low-temperature graphite anodes.

25 ENERGY STORAGE↗
NASA NTRS1967

Tritiated alumina serves as reagent for self-labeling analysis

Tritiated alumina, prepared by exchange of the surface hydroxyl groups with tritiated water, is a suitable reagent for exchange-labeling of specific compounds in low concentrations prior to chromatographic analysis. In a chromatographic column, it detects and measures submicrogram quantities of material.

Erenrich, E. H.↗
NASA NTRS2007

Soil Moisture Retrieval During a Corn Growth Cycle using L-band (1.6 GHz) Radar Observations

New opportunities for large-scale soil moisture monitoring will emerge with the launch of two low frequency (L-band 1.4 GHz) radiometers: the Aquarius mission in 2009 and the Soil Moisture and Ocean Salinity (SMOS) mission in 2008. Soil moisture is an important land surface variable affecting water and heat exchanges between atmosphere, land surface and deeper ground water reservoirs. The data products from these sensors provide valuable information in a range of climate and hydrologic applications (e.g., nume~cal weather prediction, drought monitoring, flood forecasting, water resources management, etc.). This paper describes a unique data set that was collected during a field campaign at OPE^ (Optimizing Production Inputs for Economic and Environmental Enhancements) site in Beltsville, Maryland throughout the eompj2ete corn growing in 2002. This investigation describes a simple methodology to correct active microwave observations for vegetation effects, which could potentially be implemented in a global soil moisture monitoring algorithm. The methodology has been applied to radar observation collected during the entire corn growth season and validation against ground measurements showed that the top 5-cm soil moisture can be retrieved with an accuracy up to 0.033 [cu cm/cu cm] depending on the sensing configuration.

Joseph, Alicia T.↗
DOE OSTI2023

Exchange-Driven Intermixing of Bulk and Topological Surface States by Chiral Excitons in Bi 2 Se 3

Topological surface states (TSS) in the prototypical topological insulator (TI) Bi 2 Se 3 are frequently characterized using optical probes, but electron-hole interactions and their effect on surface localization and optical response of the TSS remain unexplored. Here, we use ab initio calculations to understand excitonic effects in the bulk and surface of Bi 2 Se 3 . We identify multiple series of chiral excitons that exhibit both bulk and TSS character, due to exchange-driven mixing. Further, our results address fundamental questions about the degree to which electron-hole interactions can relax the topological protection of surface states and dipole selection rules for circularly polarized light in TIs by elucidating the complex intermixture of bulk and surface states excited in optical measurements and their coupling to light.

42 ENGINEERING↗
DOE OSTI2025

Monitoring river flow status using low-cost wildlife camera and image segmentation artificial intelligence

Continuous measurement and monitoring of surface water coverage in non-perennial streams are essential for understanding the exchange fluxes between surface and subsurface waters under both inundated and non-inundated conditions. In this study, a wildlife camera photo-based framework was developed to monitor small stream water inundation, depth, discharge, and velocity. Two advanced machine learning models, YOLOv8 and Mask2Former, were utilized to efficiently analyze images captured by wildlife cameras. The accuracy of the framework was validated against on-site depth measurements at six sites in the Yakima River Basin, along with the gage height, discharge, and velocity data from four USGS sites. This approach facilitates long-term, continuous monitoring and quantification of river intermittency and water availability with high precision and low cost, thereby advancing river ecosystem research and management.

machine learning↗
DOE OSTI2021

Solution and Interface Structure and Dynamics in Geochemistry: Gateway to Link Elementary Processes to Mineral Nucleation and Growth

Our understanding of the process of mineral nucleation is starting to evolve from the solely thermodynamical aspects in classical nucleation theory toward a mechanistic study of reactions influenced by solvation structures of ions and their dynamics. A knowledge of how these atomic and molecular interactions respond to changing solution composition and/or the nature of an interface will form a fundamental foundation to understand rate-limiting reactions and processes for nucleation and growth. Here, we review recent advances from multidisciplinary experimental and computational approaches of the structure and dynamics of aqueous solutions and mineral–liquid interfaces that will influence rates of nucleation (and growth behavior) both homogeneously in aqueous solutions and heterogeneously at mineral–liquid interfaces. Furthermore, these processes include structure (and extent) of solute clustering, solvent degrees of freedom, and the presence of noninnocent charge-balancing ions, all of which can drive the selectivity and exert control over nucleation mechanisms. Similar controlling reactions can also occur at interfaces with the added complexities of how solute ions interact with and assemble on surface sites and use different mechanisms from bulk solutes, such as lateral solvent exchanges between distinct surface sites. To gain a predictive understanding of nucleation chemistry, we emphasize several key knowledge gaps that will need to be addressed in this field and highlight the importance of combining computations and experiments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

Changes in atmospheric CO2 - Factors regulating the glacial to interglacial transition

Observations of pCO2 and delta-C-13 for the deep sea, and delta-C-13 for shallow waters, furnish important constraints on the chemistry of the glacial ocean. The concentration of preformed nutrients in the model presented reflects the concentration of nitrogen at depth, the efficiency with which nitrogen is supplied to the cold surface water by exchange with the intermediate layer, the extent to which nutrients in the cold surface regime are diluted by low nutrient water from lower latitude, and the efficiency with which nutrients are used up by the local cold water biota.

Ennever, F. K.↗
NASA NTRS1993

Calibration, navigation, and registration of MAMS data for FIFE

The International Satellite Land Surface Climatology Project (ISLSCP) was conducted to study the interaction of the atmosphere with the land surface and the research problems associated with the interpretation of satellite data over the Earth's land surface. The experimental objectives of the First ISLSCP Field Experiment (FIFE) were the simultaneous acquisition of satellite, atmospheric, and surface data and to use these data to understand the processes controlling energy/mass exchange at the surface. The experiment site is a 15 x 15 km area southeast of Manhattan, Kansas, intersected by Interstate 70 and Kansas highway 177. The Konza Prairie portion is 5 x 5 km and is a controlled experiment site consisting primarily of native tall grass prairie vegetation. The remainder of the site is grazing and farm land with trees along creek beds that are scattered over the area. Airborne multispectral imagery from the Multispectral Atmospheric Mapping Sensor (MAMS) was collected over this region on two days during Intensive Field Campaign-1 (1FC-1) to study the time and space variability of remotely-sensed geophysical parameters. These datasets consist of multiple overflights covering about a 60-min period during late morning on June 4, 1987 and shortly after dark on the following day. Image data from each overpass were calibrated and Earth located with respect to each other using aircraft inertial navigation system parameters and ground control points. These were the first MAMS flights made with 10-bit thermal data.

Jedlovec, G. J.↗
NASA NTRS2017

ATD-2 Surface Scheduling and Metering Concept

This presentation describes the concept of ATD-2 tactical surface scheduling and metering. The concept is composed of several elements, including data exchange and integration; surface modeling; surface scheduling; and surface metering. The presentation explains each of the elements. Surface metering is implemented to balance demand and capacity• When surface metering is on, target times from surface scheduler areconverted to advisories for throttling demand• Through the scheduling process, flights with CTOTs will not get addedmetering delay (avoids potential for ‘double delay’)• Carriers can designate certain flights as exempt from metering holds• Demand throttle in Phase 1 at CLT is through advisories sent to rampcontrollers for pushback instructions to the flight deck– Push now– Hold for an advised period of time (in minutes)• Principles of surface metering can be more generally applied to otherairports in the NAS to throttle demand via spot-release times (TMATs Strong focus on optimal use of airport resources• Flexibility enables stakeholders to vary the amount of delay theywould like transferred to gate• Addresses practical aspects of executing surface metering in aturbulent real world environment• Algorithms designed for both short term demand/capacityimbalances (banks) or sustained metering situations• Leverage automation to enable surface metering capability withoutrequiring additional positions• Represents first step in Tactical/Strategic fusion• Provides longer look-ahead calculations to enable analysis ofstrategic surface metering potential usage

Departure↗
DOE OSTI2020

Microbially mediated iron redox cycling of subsurface sediments from Hanford Site, Washington State, USA

Iron-bearing clay minerals are predominant in soils and sediments, and they undergo oxidation-reduction cycles as a result of natural processes such as wetting/drying cycles and plant root respiration. However, the kinetics and mechanisms of multiple redox cycles of iron in clay-rich sediments and consequences of such cycling on sediment properties are poorly understood. The objective of this study was to understand how multiple redox cycles of Fe in clay-rich sediment affect the rate and extent of Fe bioreduction and the physicochemical properties of the sediment. A natural sediment sample containing Fe-bearing montmorillonite from Hanford, Washington, USA was size-fractionated [2.0 to 0.5 μm (Hanford-C) and 0.5 to 0.02 μm (Hanford-F)] and redox-cycled for four times. Bioreduction was achieved utilizing Geobacter sulfurreducens and re-oxidization was performed with sparged air. Time-course change of total Fe (II) was monitored to measure the rate and extent of Fe (III) bioreduction. Redox-cycled sediments were characterized to determine the physicochemical changes. Both the initial rate and extent of bioreduction fluctuated across the four redox cycles, but they ultimately decreased from 5.3 μmol g -1 h -1 and 22.9% to nearly zero by the fourth cycle. These fluctuation patterns were likely due to a combined effect of reductive dissolution of small/poorly crystalline clay particles (by 3–5%) and clay mineral structural changes, as evidenced by redox induced changes of aqueous chemistry, surface area, cation exchange capacity, mineralogy, and Mössbauer parameters. Once these small/poorly crystalline clay particles were dissolved, structural Fe in residual larger and more crystalline clay particles was largely reversible across additional redox cycles, as revealed by Mössbauer spectroscopy through the first three cycles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2002

Thickness Constraints on the Icy Shells of the Galilean Satellites from a Comparison of Crater Shapes

A thin outer ice shell on Jupiter's large moon Europa would imply easy exchange between the surface and any organic or biotic material in its putative subsurface ocean. The thickness of the outer ice shell is poorly constrained, however, with model-dependent estimates ranging from a few kilometers of depths of impact craters on Europa, Ganymede and Callisto that reveal two anomalous transitions in crater shape with diameter. The first transition is probably related to temperature-dependent ductility of the crust at shallow depths (7-8 km on Europa). The second transition is attributed to the influence of subsurface oceans on all three satellites, which constrains Europa's icy shell to be at least 19 km thick. The icy lithospheres of Ganymede and Callisto are equally ice-rich, but Europa's icy shell has a thermal structure about 0.25-0.5 times the thickness of Ganymede's or Callisto's shells, depending on epoch. The appearances of the craters on Europa are inconsistent with thin-ice-shell models and indicate that exchange of oceanic and surface material could be difficult.

Schenk, Paul M.↗