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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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Improving Tracer Particle Surface Properties for Wind Tunnel Research
The surface properties of micron size polystyrene latex microspheres (PSLs) modified with quaternary alkylammonium (QA) surfactants were investigated, with a focus on the relationship between surface chemistry and adhesion. These investigations were motivated by the need to develop non-fouling tracer particles for wind tunnel studies. The goals were to relate the work of adhesion between particles and substrates to the type and amount of QA modifier in order to optimize the performance of PSL tracers. Surfactant-free emulsion polymerization (SFEP) can produce PSLs for wind tunnel tracers. Covalentlybound charged groups (derived from the initiator) stabilize PSL surfaces in water. This work used PSLs with anionic surface groups. Previous studies indicated that surface-bound charged groups on PSLs have a significant impact on their interfacial energy. Modifying charged surface groups therefore offers a method to modulate PSL interfacial properties. In this work, PSLs and films were modified by adsorption of QA surfactants.
A Moderate D/H Ratio for a Surficial Water Reservoir on Mars
Martian surface morphology implies that Mars was once warm enough to maintain persistent liquid water on its surface and that water played a significant role in the formation of weathered/altered terrains [e.g., 1, 2, 3]. Volatiles exhaled by volcanic activity would have been the dominant greenhouse gases and would have significantly affected the Martian climate. The enrichment of some volatile elements in the atmosphere, which would have dissolved in surface water, could also have influenced water chemistry (e.g., acidity) and played a significant role in weathering and aqueous alteration processes. While much of this picture is qualitative, Martian meteorites contain records of major Martian volatile reservoirs. This study characterizes Martian surficial volatile reservoirs based on in situ ion microprobe analyses of volatile abundances and H-isotopes of glassy phases (groundmass glass [GG] and impact melt [IM]) in Martian basalts (shergottites). Although these meteorites are of igneous origin, some glassy phases underwent impact-induced modification that trapped surficial and atmospheric volatile components [4, 5]; e.g., inert gases contained in IMs from EETA79001 (EETA79) match the relative abundances of modern Martian atmosphere [6]. Analyses of these glassy phases demonstrate that surficial volatile reservoirs have distinct D/H ratios from their magmatic volatiles.
Impact of organic solutes on capillary phenomena in water-CO2-quartz systems
Hypothesis: The migration of supercritical CO2 (scCO2) injected into underground reservoirs as part of carbon capture and storage is influenced by organic contamination affecting mineral wettability. Molecular dynamics (MD) simulations of relevant systems that incorporate representative organic solutes allow detailed investigation of changes in fundamental interfacial and capillary properties. Experiments: We use MD simulations to explore the effects of four organic solutes (quinoline, decanoic acid, coronene, sorgoleone) on the wettability of quartz by water in the presence of scCO2. We examine the impacts of polar, alkyl, and aromatic moieties as well as fluid flow velocity at elevated temperatures and pressures. Findings: Organic molecules accumulate at the water-CO2 interface, where they distribute according to their size and functional groups. Certain organics penetrate the adsorbed water film at the quartz-CO2 interface, revealing two modes of hydrogen bonding between polar organic functional group, water, and quartz surface –OH groups. Interfacial energies and contact angles are minimally impacted by organic adsorption at the water-CO2 interface, possibly due to simultaneous CO2 desorption. Non- equilibrium MD simulations reveal that flow-induced redistribution of organic compounds modulates the radii of curvature of the advancing and receding water-CO2 interfaces. Our results indicate that organic adsorption on water surfaces is likely ubiquitous during multi-phase flow in soils and sedimen- tary rocks, with implications for the mobilization and transport of organic compounds.
Time-, space-, and molecule-resolved multiple plasma reactive species in complex settings using an innovative approach of cavity ringdown spectroscopy (Project Final Report)
The primary research goal of this 2-year project is to demonstrate the feasibility of an innovative approach to measure reactive plasma species in the most challenging settings: right on the surface of water and under water. We propose to use the Brewster angle-cavity ringdown spextroscopy (BA-CRDS). Research objectives include: 1) Measurements of OH and NO in the plasma gas-phase zone (Z1) using different types of LTP sources including continuous and pulsed plasma jets, sheets, torches, etc. 2) Measurements of OH and NO in the multiphase reaction zones, right on the surface of water (Z2) and under water (Z3). 3) RS formation and loss mechanisms and reaction dynamics in the three zones. 4) Generalization of the proposed system to be configurable with other selected innovative techniques for other LTP parameters; invitation of selected PIs to form a strong collaborative team to pursue the follow-up effort (Category-2).
Durable, Low-Surface-Energy Treatments
Chemical treatment for creation of durable, low-surface-energy coatings for glass, ceramics and other protonated surfaces easily applied, and creates very thin semipermanent film with extremely low surface tension. Exhibits excellent stability; surfaces retreated if coating becomes damaged or eroded. Uses include water-repellent surfaces, oil-repellent surfaces, antimigration barriers, corrosion barriers, mold-release agents, and self-cleaning surfaces. Film resists wetting by water, alcohols, hydrocarbon solvents, and silicone oil. Has moderate resistance to abrasion, such as rubbing with cloths, and compression molding to polymers and composite materials.
Recent Progresses in Incorporating Human Land-Water Management into Global Land Surface Models Toward Their Integration into Earth System Models
The global water cycle has been profoundly affected by human land-water management. As the changes in the water cycle on land can affect the functioning of a wide range of biophysical and biogeochemical processes of the Earth system, it is essential to represent human land-water management in Earth system models (ESMs). During the recent past, noteworthy progress has been made in large-scale modeling of human impacts on the water cycle but sufficient advancements have not yet been made in integrating the newly developed schemes into ESMs. This study reviews the progresses made in incorporating human factors in large-scale hydrological models and their integration into ESMs. The study focuses primarily on the recent advancements and existing challenges in incorporating human impacts in global land surface models (LSMs) as a way forward to the development of ESMs with humans as integral components, but a brief review of global hydrological models (GHMs) is also provided. The study begins with the general overview of human impacts on the water cycle. Then, the algorithms currently employed to represent irrigation, reservoir operation, and groundwater pumping are discussed. Next, methodological deficiencies in current modeling approaches and existing challenges are identified. Furthermore, light is shed on the sources of uncertainties associated with model parameterizations, grid resolution, and datasets used for forcing and validation. Finally, representing human land-water management in LSMs is highlighted as an important research direction toward developing integrated models using ESM frameworks for the holistic study of human-water interactions within the Earths system.
Evidence from Hydrogen Isotopes in Meteorites for a Subsurface Hydrogen Reservoir on Mars
The surface geology and geomorphology of Mars indicates that it was once warm enough to maintain a large body of liquid water on its surface, though such a warm environment might have been transient. The transition to the present cold and dry Mars is closely linked to the history of surface water, yet the evolution of surficial water is poorly constrained. We have conducted in situ hydrogen isotope (D/H) analyses of quenched and impact glasses in three Martian meteorites (Yamato 980459, EETA79001, LAR 06319) by Cameca ims-6f at Digital Terrain Models (DTM) following the methods of [1]. The hydrogen isotope analyses provide evidence for the existence of a distinct but ubiquitous water/ice reservoir (D/H = 2-3 times Earth's ocean water: Standard Mean Ocean Water (SMOW)) that lasted from at least the time when the meteorites crystallized (173-472 Ma) to the time they were ejected by impacts (0.7-3.3 Ma), but possibly much longer [2]. The origin of this reservoir appears to predate the current Martian atmospheric water (D/H equals approximately 5-6 times SMOW) and is unlikely to be a simple mixture of atmospheric and primordial water retained in the Martian mantle (D/H is approximately equal to SMOW [1]). Given the fact that this intermediate-D/H reservoir (2-3 times SMOW) is observed in a diverse range of Martian materials with different ages (e.g., SNC (Shergottites, Nakhlites, Chassignites) meteorites, including shergottites such as ALH 84001; and Curiosity surface data [3]), we conclude that this intermediate-D/H reservoir is likely a global surficial feature that has remained relatively intact over geologic time. We propose that this reservoir represents either hydrated crust and/or ground ice interbedded within sediments. Our results corroborate the hypothesis that a buried cryosphere accounts for a large part of the initial water budget of Mars.
Adsorption of Water on JSC-1A Lunar Simulant Samples
Remote sensing probes sent to the moon in the 1990s indicated that water may exist in areas such as the bottoms of deep, permanently shadowed craters at the lunar poles, buried under regolith. Water is of paramount importance for any lunar exploration and colonization project which would require self-sustainable systems. Therefore, investigating the interaction of water with lunar regolith is pertinent to future exploration. The lunar environment can be approximated in ultra-high vacuum systems such as those used in thermal desorption spectroscopy (TDS). Questions about water dissociation, surface wetting, degree of crystallization, details of water-ice transitions, and cluster formation kinetics can be addressed by TDS. Lunar regolith specimens collected during the Apollo missions are still available though precious, so testing with simulant is required before applying to use lunar regolith samples. Hence, we used for these studies JSC-1a, mostly an aluminosilicate glass and basaltic material containing substantial amounts of plagioclase, some olivine and traces of other minerals. Objectives of this project include: 1) Manufacturing samples using as little raw material as possible, allowing the use of surface chemistry and kinetics tools to determine the feasibility of parallel studies on regolith, and 2) Characterizing the adsorption kinetics of water on the regolith simulant. This has implications for the probability of finding water on the moon and, if present, for recovery techniques. For condensed water films, complex TDS data were obtained containing multiple features, which are related to subtle rearrangements of the water adlayer. Results from JSC-1a TDS studies indicate: 1) Water dissociation on JSC-1a at low exposures, with features detected at temperatures as high as 450 K and 2) The formation of 3D water clusters and a rather porous condensed water film. It appears plausible that the sub- m sized particles act as nucleation centers.
Surface soil temperature and water content from warming experiment located at the Rocky Mountain Biological Laboratory, Colorado, 2015 to 2019
This data package consists of soil temperature and soil water content sensor data from the warming experiment near the Rocky Mountain Biological Laboratory. Data range is from summer 2015 to summer 2019, when the warming manipulation was terminated. The location of the warming experiment is in the upper montane life zone and consists of meadow vegetation with a mixture of sagebrush (Artemisia tridentata), forb species (Erigeron speciosus, Helianthella quinquenervis, Lathyrus lanszwertii), and graminoid species (Festuca thurberi, Carex spps). Early studies showed that the heating treatment led to earlier snowmelt as well as warmer and drier surface soils, and changes in the functional composition of aboveground biomass favoring sagebrush over forb species (Harte and Shaw, 1995). These changes were mainly observed in the upper, naturally drier zone for the experimental plots. More recent observations of aboveground biomass, soil carbon, and microbial composition require concurrent information about the abiotic environment for interpretation and extrapolation to process-based models. This data package provides the plot- and zone-level abiotic context for the final years of the experiment and consists of csv files with hourly soil temperature (WM_ST.csv) and soil water content (WM_SWC.csv).
Managed aquifer recharge as a strategy to redistribute excess surface flow to baseflow in snowmelt hydrologic regimes
Water management in snowmelt hydrologic regimes, characterized by large annual fluctuations in stream flow driven by seasonal snow melt, faces the challenge of highly variable supply that often does not align with timing of demand. Climate change may exacerbate management challenges by significantly reducing snowpack or shifting snow melt earlier. Here, managed aquifer recharge (MAR) is evaluated as a potential strategy to reallocate excess early-season stream flow to time periods when less surface water is available. This strategy differs from traditional MAR, where the goal is to minimize loss to surface water. We assess how to site MAR operations such that groundwater recharge flows back to the surface water system in a lagged manor to benefit water management objectives, which we term “enhanced baseflow.” We use a regional groundwater model for the Treasure Valley aquifer located in southwestern Idaho, United States to demonstrate a generalizable approach using regional groundwater models as tools to identify favorable baseflow enhancement locations. Hypothetical MAR is simulated at 197 candidate locations, which are then evaluated for how effectively they meet potential management objectives. In addition to demonstrating the modeling and evaluation approach, we discuss lessons learned from applying a pre-existing regional groundwater model to MAR for enhanced baseflow and also describe important considerations, such as the physical and institutional availability of surface flows and specific management objectives, when assessing regional and site-specific suitability of MAR for enhanced baseflow as a potential management strategy.
Water Adsorption on Mica Surfaces with Hydrophilicity Tuned by Counterion Types (Na, K, and Cs) and Structural Fluorination
Not Available
Initial hydration process of calcium silicates in Portland cement: A comprehensive comparison from molecular dynamics simulations
As the main components of Portland cement, calcium silicates show substantial differences in their hydration reactivity which have not been fully explained. A comprehensive comparison of the initial hydration process of calcium silicates, namely dicalcium silicate (C{sub 2}S) and tricalcium silicate (C{sub 3}S), was conducted using molecular dynamics simulations. The initial hydration process was divided into three stages using cut-off times of 0.001 ns and 3 ns. The hydration of M{sub 3}-C{sub 3}S (010) was more evident than that of β-C{sub 2}S (100), supported by the hydroxylation degree, radial distribution function, atomic density profile, etc. The coordination number of the surface Ca atoms might be the underlying reason for such a difference. Interactions between cement surfaces and water molecules were mainly characterised by solid OH bonding and Ca-water O bonding. Dissolution of Ca atoms was observed, although quite scarce, while no dissolution of Si atoms was observed.
Water quality modeling using geographic information system (GIS) data
Protection of the environment and natural resources at the Kennedy Space Center (KSC) is of great concern. The potential for surface and ground water quality problems resulting from non-point sources of pollution was examined using models. Since spatial variation of parameters required was important, geographic information systems (GIS) and their data were used. The potential for groundwater contamination was examined using the SEEPAGE (System for Early Evaluation of the Pollution Potential of Agricultural Groundwater Environments) model. A watershed near the VAB was selected to examine potential for surface water pollution and erosion using the AGNPS (Agricultural Non-Point Source Pollution) model.
Characterizing Mesoscale Cellular Convection in Marine Cold Air Outbreaks With a Machine Learning Approach
Abstract During marine cold‐air outbreaks (MCAOs), when cold polar air moves over warmer ocean, a well‐recognized cloud pattern develops, with open or closed mesoscale cellular convection (MCC) at larger fetch over open water. The Cold‐Air Outbreaks in the Marine Boundary Layer Experiment provided a comprehensive set of ground‐based in situ and remote sensing observations of MCAOs at a coastal location in northern Norway. MCAO periods that unambiguously exhibit open or closed MCC are determined. Individual cells observed with a profiling Ka‐band radar are identified using a watershed segmentation method. Using self‐organizing maps (SOMs), these cells are then objectively classified based on the variability in their vertical structure. The SOM nodes contain some information about the location of the cell transect relative to the center of the MCC. This adds classification noise, requiring numerous cell transects to isolate cell dynamical information. The SOM‐based classification shows that comparatively intense convection occurs only in open MCC. This convection undergoes an apparent lifecycle. Developing cells are associated with stronger updrafts, large spectrum width, larger amounts of liquid water, lower surface precipitation rates, and lower cloud tops than mature and weakening cells. The weakening of these cells is associated with the development of precipitation‐induced cold pools. The SOM classification also reveals less intense convection, with a similar lifecycle. More stratiform vertical cloud structures with weak vertical motions are common during closed MCC periods and are separated into precipitating and non‐precipitating stratiform cores. Convection is observed only occasionally in the closed MCC environment.
Hydrogen Isotopes Record the History of the Martian Hydrosphere and Atmosphere
The surface geology and geomorphology of Mars indicates that it was once warm enough to maintain a large body of liquid water on its surface, though such a warm environment might have been transient. The transition to the present cold and dry Mars is closely linked to the history of surface water, yet the evolution of surficial water is poorly constrained. This study presents insights from hydrogen isotopes for the origin and evolution of Martian water reservoirs.
NO Degradation on the Anatase TiO 2 (001) Surface in the Presence of Water
Nitric oxide (NO) is known to degrade to nitric acid (HNO 3 ) on anatase TiO2 facets under visible light irradiation in the presence of water. However, the exact role that water plays in this photoreaction is not fully understood. Here, by employing the density functional theory (DFT) and time-dependent density functional tight binding (TD-DFTB), we show the viability of two suggested degradation pathways involving water. Both reaction pathways are triggered by a charge transfer excitation from the NO molecule to the TiO 2 surface. In one of them, NO interacts with dissociated water molecules adsorbed on the surface to form HONO + , whereas for the second pathway, NO is oxidized to NO 2 + by capturing one oxygen atom from the substrate. Both HONO and NO 2 are known byproducts in the photodegradation of NO, which further react with adsorbed water to finally produce HNO 3 . We also demonstrate by means of nudged elastic band calculations that these reactions are unlikely to happen without illumination.
Application of the Analogy Between Water Flow with a Free Surface and Two-dimensional Compressible Gas Flow
The theory of hydraulic analogy, that is, the analogy between water flow with a free surface and two-dimensional compressible gas flow and the limitations and conditions of the analogy are discussed. A test run was made using the hydraulic analogy as applied to the flow about circular cylinders at various diameters at subsonic velocities extending to the super critical range. The apparatus and techniques used in this application are described and criticized. Reasonably satisfactory agreement of pressure distributions and flow fields existed between water and airflow about corresponding bodies. This agreement indicated the possibility of extending experimental compressibility research by new methods.