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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
NASA NTRS2014

Evaluating LSM-Based Water Budgets Over a West African Basin Assisted with a River Routing Scheme

Within the framework of the African Monsoon Multidisciplinary Analysis (AMMA) Land Surface Model Intercomparison Project phase 2 (ALMIP-2), this study evaluates the water balance simulated by the Interactions between Soil, Biosphere, and Atmosphere (ISBA) over the upper Oum River basin, in Benin, using a mesoscale river routing scheme (RRS). The RRS is based on the nonlinear Muskingum Cunge method coupled with two linear reservoirs that simulate the time delay of both surface runoff and base flow that are produced by land surface models. On the basis of the evidence of a deep water-table recharge in that region,a reservoir representing the deep-water infiltration (DWI) is introduced. The hydrological processes of the basin are simulated for the 2005-08 AMMA field campaign period during which rainfall and stream flow data were intensively collected over the study area. Optimal RRS parameter sets were determined for three optimization experiments that were performed using daily stream flow at five gauges within the basin. Results demonstrate that the RRS simulates stream flow at all gauges with relative errors varying from -22% to 3% and Nash-Sutcliffe coefficients varying from 0.62 to 0.90. DWI varies from 24% to 67% of the base flow as a function of the sub-basin. The relatively simple reservoir DWI approach is quite robust, and further improvements would likely necessitate more complex solutions (e.g., considering seasonality and soil type in ISBA); thus, such modifications are recommended for future studies. Although the evaluation shows that the simulated stream flows are generally satisfactory, further field investigations are necessary to confirm some of the model assumptions.

Multidisciplinary↗
DOE OSTI2021

Superionic iron oxide–hydroxide in Earth’s deep mantle

Water ice becomes a superionic phase under the high pressure and temperature conditions of deep planetary interiors of ice planets such as Neptune and Uranus, which affects interior structures and generates magnetic fields. The solid Earth, however, contains only hydrous minerals with a negligible amount of ice. Here we combine high pressure and temperature electrical conductivity experiments, Raman spectroscopy and first-principles simulations to investigate the state of hydrogen in the pyrite-type FeO 2 H x (x ≤ 1), which is a potential H-bearing phase near the core–mantle boundary. We find that when the pressure increases beyond 73 GPa at room temperature, symmetric hydroxyl bonds are softened and the H + (or proton) becomes diffusive within the vicinity of its crystallographic site. Increasing temperature under pressure, the diffusivity of hydrogen is extended beyond the individual unit cell to cover the entire solid, and the electrical conductivity soars, indicating a transition to the superionic state, which is characterized by freely moving protons and a solid FeO 2 lattice. Furthermore, the highly diffusive hydrogen provides fresh transport mechanisms for charge and mass, which dictate the geophysical behaviours of electrical conductivity and magnetism, as well as geochemical processes of redox, hydrogen circulation and hydrogen isotopic mixing in Earth’s deep mantle.

58 GEOSCIENCES↗
DOE OSTI2023

Probing the self-ionization of liquid water with ab initio deep potential molecular dynamics

The chemical equilibrium between self-ionized and molecular water dictates the acid–base chemistry in aqueous solutions, yet understanding the microscopic mechanisms of water self-ionization remains experimentally and computationally challenging. Herein, Density Functional Theory (DFT)–based deep neural network (DNN) potentials are combined with enhanced sampling techniques and a global acid–base collective variable to perform extensive atomistic simulations of water self-ionization for model systems of increasing size. The explicit inclusion of long-range electrostatic interactions in the DNN potential is found to be crucial to accurately reproduce the DFT free energy profile of solvated water ion pairs in small (64 and 128 H 2 O) cells. The reversible work to separate the hydroxide and hydronium to a distance S is found to converge for simulation cells containing more than 500 H 2 O, and a distance of ∼ 8 Å is the threshold beyond which the work to further separate the two ions becomes approximately zero. The slow convergence of the potential of mean force with system size is related to a restructuring of water and an increase of the local order around the water ions. Calculation of the dissociation equilibrium constant illustrates the key role of long-range electrostatics and entropic effects in the water autoionization process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Probing the state of hydrogen in δ − AlOOH at mantle conditions with machine learning potential

Hydrous and nominally anhydrous minerals are a fundamental class of solids of enormous significance to geophysics. They are the water carriers in the deep geological water cycle and impact structural, elastic, plastic, and thermodynamic properties and phase relations in Earth's forming aggregates (rocks). They play a critical role in the geochemical and geophysical processes that shape the planet. Their complexity has prevented predictive calculations of their properties, but progress in materials simulations ushered by machine-learning potentials is transforming this state of affairs. Here, we adopt a hybrid approach that combines deep learning potentials (DPs) with the strongly constrained and appropriately normed meta-generalized gradient approximation functional to simulate a prototypical hydrous system. We illustrate the success of this approach to simulate δ − AlOOH ( δ ) , a phase capable of transporting water down to near the core-mantle boundary of the Earth ( ∼ 2900 km depth and ∼ 135 GPa ) in subducting slabs. A high-throughput sampling of phase space using molecular dynamics simulations with DPs sheds light on the hydrogen-bond behavior and proton diffusion at geophysical conditions. These simulations provide a pathway for a deeper understanding of these crucial components that shape Earth's internal state. Published by the American Physical Society 2024

Luo, Chenxing (ORCID:0000000341166851)↗
DOE OSTI2021

Coupled deep-mantle carbon-water cycle: Evidence from lower-mantle diamonds

Diamonds form in a variety of environments between subducted crust, lithospheric and deep mantle. Recently, deep source diamonds with inclusions of the high-pressure H 2 O-phase ice-VII were discovered. By correlating the pressures of ice-VII inclusions with those of other high-pressure inclusions, we assess quantitatively the pressures and temperatures of their entrapment. We show that the ice-VII-bearing diamonds formed at depths down to 800 ± 60 km but at temperatures 200–500 K below average mantle temperature that match the pressure-temperature conditions of decomposing dense hydrous mantle silicates. Furthermore, our work presents strong evidence for coupled recycling of water and carbon in the deep mantle based on natural samples.

58 GEOSCIENCES↗
NASA NTRS1997

Energy, volatile production, and climatic effects of the Chicxulub Cretaceous/Tertiary impact

A comprehensive analysis of volatiles in the Chicxulub impact strongly supports the hypothesis that impact-generated sulfate aerosols caused over a decade of global cooling, acid rain, and disruption of ocean circulation, which contributed to the mass extinction at the Cretaceous/Tertiary (K/T) boundary. The crater size, meteoritic content of the K/T boundary clay, and impact models indicate that the Chicxulub crater was formed by a short period comet or an asteroid impact that released 0.7-3.4 x 10(31) ergs of energy. Impact models and experiments combined with estimates of volatiles in the projectile and target rocks predict that over 200 gigatons (Gt) each of SO2 and water vapor, and over 500 Gt of CO2, were globally distributed in the stratosphere by the impact. Additional volatiles may have been produced on a global or regional scale that formed sulfate aerosols rapidly in cooler parts of the vapor plume, causing an early, intense pulse of sulfuric acid rain. Estimates of the conversion rate of stratospheric SO2 and water vapor to sulfate aerosol, based on volcanic production of sulfate aerosols, coupled with calculations of diffusion, coagulation, and sedimentation, demonstrate that the 200 Gt stratospheric SO2 and water vapor reservoir would produce sulfate aerosols for 12 years. These sulfate aerosols caused a second pulse of acid rain that was global. Radiative transfer modeling of the aerosol clouds demonstrates (1) that if the initial rapid pulse of sulfate aerosols was global, photosynthesis may have been shut down for 6 months and (2) that for the second prolonged aerosol cloud, solar transmission dropped 80% by the end of first year and remained 50% below normal for 9 years. As a result, global average surface temperatures probably dropped between 5 degrees and 31 degrees K, suggesting that global near-freezing conditions may have been reached. Impact-generated CO2 caused less than 1 degree K greenhouse warming and therefore was insignificant compare to the sulfate cooling. The magnitude of sulfate cooling depends largely upon the rate of ocean mixing as surface waters cool, sink, and are replaced by upwelling of deep ocean water. This upwelling apparently drastically altered ocean stratification and circulation, which may explain the global collapse of the delta 13C gradient between surface and deep ocean waters at the K/T boundary.

NASA Center JPL↗
NASA NTRS2014

The Upside-Down Biosphere: Evidence for the Partially Oxygenated Oceans During the Archean Eon

This is a commentary on the preceding chapter by Ohmoto et al., in which it is suggested that oxygen concentrations have been high throughout Earth history. This is a contentious suggestion at odds with the prevailing view in the field, which contends that atmospheric oxygen concentrations rose from trace levels to a few percent of modern-day levels around 2.5 b.y. ago. This comment notes that many of the data sets cited by Ohmoto et al. as evidence for a relatively oxidized environment come from deep-ocean settings. This presents a possibility to reconcile some of these data and suggestions with the overwhelming evidence for an atmosphere free of oxygen at that time. Specifically, it is possible that deep-ocean waters were relatively oxidized with respect to certain redox pairs. These deep-ocean waters would have been more oxidized than surface waters, thus representing an "upside-down biosphere," as originally proposed 25 years ago by Jim Walker.

oxygenated oceans↗
NASA NTRS1994

Human impacts on soil carbon dynamics of deep-rooted Amazonian forests

Deforestation and logging degrade more forest in eastern and southern Amazonia than in any other region of the world. This forest alteration affects regional hydrology and the global carbon cycle, but our current understanding of these effects is limited by incomplete knowledge of tropical forest ecosystems. It is widely agreed that roots are concentrated near the soil surface in moist tropical forests, but this generalization incorrectly implies that deep roots are unimportant in water and C budgets. Our results indicate that half of the closed-canopy forests of Brazilian Amazonic occur where rainfall is highly seasonal, and these forests rely on deeply penetrating roots to extract soil water. Pasture vegetation extracts less water from deep soil than the forest it replaces, thus increasing rates of drainage and decreasing rates of evapotranspiration. Deep roots are also a source of modern carbon deep in the soil. The soils of the eastern Amazon contain more carbon below 1 m depth than is present in above-ground biomass. As much as 25 percent of this deep soil C could have annual to decadal turnover times and may be lost to the atmosphere following deforestation. We compared the importance of deep roots in a mature, evergreen forest with an adjacent man-made pasture, the most common type of vegetation on deforested land in Amazonia. The study site is near the town of Paragominas, in the Brazilian state of Para, with a seasonal rainfall pattern and deeply-weathered, kaolinitic soils that are typical for large portions of Amazonia. Root distribution, soil water extraction, and soil carbon dynamics were studied using deep auger holes and shafts in each ecosystem, and the phenology and water status of the leaf canopies were measured. We estimated the geographical distribution of deeply-rooting forests using satellite imagery, rainfall data, and field measurements.

Nepstad, Daniel C.↗
DOE OSTI2022

Stability of a Mixed–Valence Hydrous Iron–Rich Oxide: Implications for Water Storage and Dynamics in the Deep Lower Mantle

Incorporation of water into mantle compositions can have significant effects on the phase relations in the systems. Here, we synthesized an iron-rich hexagonal hydrous phase (referred to as "HH1-phase") under the high pressure-temperature (P-T) conditions of the deep lower mantle and determined the crystal structure of the HH1-phase at 79 GPa using the multigrain crystallography method. The chemical formula obtained was Fe 12.76 O 18 H x (x ~ to 4.5) in the Fe-O-H system. To demonstrate the role of HH1-phase for water storage in multicomponent systems relevant to mantle compositions, we investigated the stability of HH1-phase in both MgO-rich pyrolitic and SiO 2 -rich basaltic compositions. Our results indicate that the HH1-phase serves as major water storage in a pyrolitic composition, whereas the Al-rich CaCl 2 -type δ-phase and SiO 2 phase are major water storage phases in a SiO 2 -rich basaltic composition. Incorporation of considerable amounts of SiO 2 , MgO, and Al 2 O 3 into the HH1-phase expands its stability field from 98 GPa in the Fe-Al-O-H system to at least 108 GPa (corresponding to similar to 2,400 km depth) in the Mg-Si-Al-Fe-O-H system. Plumes of hot upwelling rock rooted at the base of the lower mantle have been proposed as a possible origin of hotspot volcanoes. The hydrous Fe-rich HH1-phase, if included into the material of upwelling plumes, will decompose on its rising to the upper part of the lower mantle and release water. Our results should provide constraints on water storage in the deep lower mantle and have implications for deep mantle dynamics.

58 GEOSCIENCES↗
DOE OSTI2024

Pressure Transducer Measurement Variability in Deep Wells Screened Across the Water Table

Abstract Automated water level measurements collected using vented pressure transducers in deep wells screened across the water table may exhibit a greater response to barometric pressure changes than the true water level. The cause was hypothesized to be disequilibrium in barometric pressure between the wellbores and land surface due to air exchange with the deep vadose zone. In this study, vented and nonvented pressure transducers were installed and operated simultaneously in two deep wells screened across the water table. A vent tube open to the atmosphere at land surface allowed for barometric compensation of the vented transducers. Two nonvented transducers were installed in each well, one submerged in the water and one above the water surface. The difference in readings allowed for barometric compensation. Manual measurements were also collected. It was confirmed that measurements from the vented transducers exhibited greater variability in response to barometric pressure changes than the nonvented transducers and manual measurements. Comparison of the downhole barometric pressure measurements to values from a nearby meteorology station showed the response in the wells to changes in barometric pressure was time‐lagged and attenuated. Thus, the reference pressure from land surface supplied to the vented transducers was not representative of the air pressure within the wells. This caused fluctuations of the transducer readings in response to barometric pressure changes to be greater than the true water level change. This issue can be resolved by the use of nonvented pressure transducers.

McDonald, John P.↗
NASA NTRS1988

Carbon dioxide catastrophes: Past and future menace

Carbon dioxide is important in its role as coupler of the terrestrial biosphere to inorganic chemical processes and as the principal greenhouse gas controlling Earth's surface temperature. The hypothesis that atmospheric CO2 levels have diminished with time, with the resulting cooling effect offsetting an increase in the solar constant, seems firmly established, and it is shown that feedback mechanisms exist which can maintain the terrestrial surface in a relatively narrow temperature range over geological time. Of the factors involved in such CO2 variation, the oceanic reservoir appears the most important. Surface waters are probably in approximate equilibrium with regard to CO2 exchange with the ambient atmosphere in most regions, but data from deep-ocean water sampling indicates that such waters are somewhat undersaturated in the sense that they would tend to absorb CO2 from the atmosphere if brought to the surface without change in composition or temperature. If major impacts into the ocean can result in loss of a substantial portion of the atmospheric CO2 reservoir, then any such future event could imperil the continuation of most higher forms of life on Earth. The most likely candidate for an inverse Nyos global event in previous Earth history is the Cretaceous-Tertiary terminal extinction event. The Cretaceous was characterized by warm, equable temperatures presumably indicative of relatively high CO2 levels and an intense greenhouse heating. Cooling of the oceans in absence of massive transfer of CO2 to the oceanic reservoir in itself would promote a condition of CO2 undersaturation in abyssal waters, and this is made even more extreme by the pattern of ocean water circulation. It is possible to envision a situation in which deep ocean waters were at least occasionally profoundly undersaturated with regard to CO2. Turnover of a major fraction of such an ocean would then remove, on a very short time scale, as much as 90 percent of the atmospheric CO2 inventory.

Baur, Mario E.↗
DOE OSTI2020

Some Aspects of the Liquid Water Thermodynamic Behavior: From The Stable to the Deep Supercooled Regime

Liquid water is considered to be a peculiar example of glass forming materials because of the possibility of giving rise to amorphous phases with different densities and of the thermodynamic anomalies that characterize its supercooled liquid phase. In the present work, literature data on the density of bulk liquid water are analyzed in a wide temperature-pressure range, also including the glass phases. A careful data analysis, which was performed on different density isobars, made in terms of thermodynamic response functions, like the thermal expansion αP and the specific heat differences C P -C V , proves, exclusively from the experimental data, the thermodynamic consistence of the liquid-liquid transition hypothesis. The study confirms that supercooled bulk water is a mixture of two liquid “phases”, namely the high density (HDL) and the low density (LDL) liquids that characterize different regions of the water phase diagram. Furthermore, the C P -C V isobars behaviors clearly support the existence of both a liquid–liquid transition and of a liquid–liquid critical point.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2005

Relocation of Advanced Water Vapor Radiometer 1 to Deep Space Station 55

In June of 2004, the Advanced Water Vapor Radiometer (AWVR) unit no. 1 was relocated to the Deep Space Station (DSS) 55 site in Madrid, Spain, from DSS 25 in Goldstone, California. This article summarizes the relocation activity and the subsequent operation and data acquisition. This activity also relocated the associated Microwave Temperature Profiler (MTP) and Surface Meteorology (SurfMET) package that collectively comprise the Cassini Media Calibration System (MCS).

Oswald, J.↗
DOE OSTI2024

Save or spend? Diverging water‐use strategies of grasses and encroaching clonal shrubs

Abstract Shrub encroachment is one of the primary threats to mesic grasslands around the world. This dramatic shift in plant cover has the potential to alter ecosystem‐scale water budgets and responses to novel rainfall regimes. Understanding divergent water‐use strategies among encroaching shrubs and the grasses they replace is critical for predicting shifts in ecosystem‐scale water dynamics as a result of shrub encroachment, particularly if drought events become more frequent and/or severe in the future. In this study, we assessed how water‐use traits of a rapidly encroaching clonal shrub (Cornus drummondii) and a dominant C 4 grass (Andropogon gerardii) impact responses to changes in water availability in tallgrass prairie. We assessed intra‐annual change in depth of water uptake, turgor loss point and stomatal regulation in each species. Sampling took place at Konza Prairie Biological Station (northeastern KS, USA) during the 2021 and 2022 growing seasons. Cornus drummondiishifted from shallow to deep soil water sources across the 2021 and 2022 growing seasons. This plasticity in depth of water uptake facilitated a ‘wasteful’ water‐use strategy inC. drummondii, where stomatal conductance and transpiration rates continued to increase even when no further gain in photosynthetic rate occurred.A. gerardiiphotosynthetic rates and stomatal conductance were more variable through time and were more responsive to changes in leaf water potential thanC. drummondii. However, intra‐annual adjustment of turgor loss point was more pronounced inC. drummondii(Δπ TLP = −0.48 MPa ± 0.15 SD) than inA. gerardii(Δπ TLP = −0.29 MPa ± 0.19 SD). Synthesis. These results suggest thatC. drummondiiis highly resilient to changes in water availability in surface soils and will likely remain unaffected by future droughts unless they are severe enough to reduce the availability of deep soil water. Given that clonal shrubs are key invaders of grasslands world‐wide, increased leaf‐level water loss is expected to accelerate ecosystem‐level drying as clonal shrub encroachment proceeds in mesic grasslands.

Environmental Sciences & Ecology↗
DOE OSTI2023

Sensitivity of deep convection and cross-tropopause water transport to microphysical parameterizations in WRF

Deep convective storms can overshoot the tropopause, thus altering the composition of the stratosphere by vertically transporting tropospheric air. The transport of water vapor and ice particles into a sub-saturated environment can hydrate the stratosphere, with implications for radiative forcing and ozone chemistry. Cloud-resolved models, if employed at high spatial resolutions, are used to probe process-level questions about cross-tropopause deep convective hydration and its controls. There is considerable diversity in model representations of processes associated with water transport and transformation, and the choice of a microphysics scheme affects model skill in simulating deep convective events. This motivates our evaluation of state-of-the-art, as well as widely used standard schemes, in a high spatial- and temporal-resolution framework. Six bulk microphysics schemes were employed in a WRF-LES setup, initialized with a sounding profile representative of a tropopause-overshooting storm. Here, we used an idealized framework to isolate the effect of microphysics on the dominant processes that control the reach of deep convection and stratospheric hydration. All schemes produced the highest reaching updrafts 8-12 hours into the simulation but the strength and persistence of updrafts varied across the schemes; maximum storm heights ranged 9.1-12.6 km across the schemes. Varying microphysics produced large differences in the vertical extent and horizontal aggregation of convection, and an order of magnitude spread in above-tropopause water vapor concentrations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Impacts of Riparian and Non-riparian Woody Encroachment on Tallgrass Prairie Ecohydrology

Woody encroachment has impacted grassland ecohydrology worldwide, prompting management strategies aimed at woody vegetation removal to prevent or mitigate loss of water yield. For this work, we measured stream discharge following sustained cutting of riparian trees (2010–2020) in a native tallgrass prairie (northeastern Kansas, USA). Discharge has declined at this site since the 1980’s despite a concurrent increase in precipitation. This decline has been previously attributed to increased transpiration of stream water by riparian vegetation. We used water stable isotopes (δ 18 O and δ 2 H) to determine whether riparian grasses, shrubs, and trees primarily used stream/groundwater or soil water. Additionally, we quantified the increase in riparian and non-riparian woody cover (1978–2020) and combined it with sap-flux data to estimate changes in transpirative water loss. Sustained cutting of riparian trees did not result in increased discharge. Rather than stream/groundwater, the largest proportion of water used by riparian trees (Quercus spp.) was deep soil water. Cornus drummondii (clonal woody shrub) used a higher proportion of stream water and had greater overall variability in water-use. Riparian shrub cover increased about 57% from 1978 to 2020. Over the same time period, shrub cover increased about 20% in areas outside the riparian zone, resulting in an estimated 25% increase in daily transpirative water loss. Although stream water use was less than 50% for all riparian zone species, the total increase in shrub cover on this watershed, coupled with higher transpiration rates of shrubs, suggests that these woody species—within and outside the riparian zone—are key contributors to observed declines in stream flow in this system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Physics-Informed Deep Learning for Multiscale Water Cycle Prediction

This paper falls under Focal Area #2: Predictive modeling through the use of AI techniques and AI-derived model components; the use of AI and other tools to design a prediction system comprising of a hierarchy of models (e.g., AI-driven model/component/parameterization selection).

54 ENVIRONMENTAL SCIENCES↗