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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS2000

Soil Moisture Memory in Climate Models

Water balance considerations at the soil surface lead to an equation that relates the autocorrelation of soil moisture in climate models to (1) seasonality in the statistics of the atmospheric forcing, (2) the variation of evaporation with soil moisture, (3) the variation of runoff with soil moisture, and (4) persistence in the atmospheric forcing, as perhaps induced by land atmosphere feedback. Geographical variations in the relative strengths of these factors, which can be established through analysis of model diagnostics and which can be validated to a certain extent against observations, lead to geographical variations in simulated soil moisture memory and thus, in effect, to geographical variations in seasonal precipitation predictability associated with soil moisture. The use of the equation to characterize controls on soil moisture memory is demonstrated with data from the modeling system of the NASA Seasonal-to-Interannual Prediction Project.

Koster, Randal D.↗
NASA NTRS1990

Water balance model for Kings Creek

Particular attention is given to the spatial variability that affects the representation of water balance at the catchment scale in the context of macroscale water-balance modeling. Remotely sensed data are employed for parameterization, and the resulting model is developed so that subgrid spatial variability is preserved and therefore influences the grid-scale fluxes of the model. The model permits the quantitative evaluation of the surface-atmospheric interactions related to the large-scale hydrologic water balance.

Wood, Eric F.↗
NASA NTRS2022

The Simulation and Subseasonal Forecasting of Hydrological Variables: Insights from a Simple Water Balance Model

Past work has shown that a land surface model’s (LSM’s) implicit (not explicitly coded) relationships between soil moisture and both evapotranspiration (ET) and runoff largely determine the LSM’s hydrological behavior. Here we estimate the relationships that appear to be operating in the real world and compare them to those of the LSM component of a state-of-the-art Earth system model (ESM). The two sets of relationships are determined by calibrating them within a simple water balance model (WBM): once using stream gauge observations from small, unregulated rivers over the eastern half of the U.S., and once using the runoffs generated by the LSM as part of a state-of-the-art atmospheric reanalysis. Hydrological simulations and subseasonal hydrological forecasts performed with the two calibrated versions of the WBM provide two key results. First, the version calibrated to the LSM-generated runoffs does successfully reproduce, to first order, the hydrological behavior of the full LSM within its ESM environment. Second, of the two WBM versions, the one calibrated to the observations reproduces more accurately a broad collection of fully independent streamflow observations as well as a similarly broad collection of in-situ soil moisture measurements. Taken together, the two results suggest that the observations-calibrated ET and runoff efficiency functions do successfully represent, at least to some degree, soil moisture controls over hydrological variability in Nature and can serve as potentially useful targets for further LSM development.

Water Balance Model↗
DOE OSTI2025

The Water Table Model (WTM) (v2.0.1): coupled groundwater and dynamic lake modelling

Abstract. Ice-free land comprises 26 % of the Earth's surface and holds liquid water that delineates ecosystems, affects global geochemical cycling, and modulates sea levels. However, we currently lack the capacity to simulate and predict these terrestrial water changes across the full range of relevant spatial (watershed to global) and temporal (monthly to millennial) scales. To address this knowledge gap, we present the Water Table Model (WTM), which integrates coupled components to compute dynamic lake and groundwater levels. The groundwater component solves the 2D horizontal groundwater flow equation using non-linear equation solvers from the C++ PETSc (Portable, Extensible Toolkit for Scientific Computation) library. The dynamic lake component makes use of the Fill–Spill–Merge (FSM) algorithm to move surface water into lakes, where it may evaporate or affect groundwater flow. In a proof-of-concept application, we demonstrate the continental-scale capabilities of the WTM by simulating the steady-state climate-driven water table for the present day and the Last Glacial Maximum (LGM; 21 000 calendar years before present) across the North American continent. During the LGM, North America stored an additional 14.98 cm of sea-level equivalent (SLE) in lakes and groundwater compared to the climate-driven present-day scenario. We compare the present-day result to other simulations and real-world data. Open-source code for the WTM is available on GitHub and Zenodo.

Callaghan, Kerry L. (ORCID:0000000226740838)↗
DOE OSTI2025

Molecular Dynamics Simulations of Supercritical Carbon Dioxide and Water using TraPPE and SWM4-NDP Force Fields

The increased levels of carbon dioxide (CO 2 ) emissions due to the combustion of fossil fuels and the consequential impact on global climate change have made CO 2 capture, storage, and utilization a significant area of focus for current research. In most electrochemical CO 2 applications, water is used as a proton donor due to its high availability and mobility and use as a polar solvent. Additionally, supercritical CO 2 is a promising avenue for electrochemical applications due to its unique chemical and physical properties. Consequently, understanding the interactions between water and supercritical CO 2 is of great importance for future electrochemical applications. Molecular dynamics (MD) simulation is a powerful tool that enables atomistic-resolution dynamics of molecular systems, which can complement and guide future experimental investigations. This study employed atomistic MD to study the cosolubilities, codiffusivities, and structure of supercritical CO 2 and water systems, with a polarizable water model (SWM4-NDP) and a nonpolarizable CO 2 model (TraPPE). Additionally, ab initio MD simulations were used to better understand how atomistic polarizable/nonpolarizable models compare to explicit modeling of electron densities. The polarizable water model exhibited substantial improvement in water-associated properties. In conclusion, we anticipate the development of a compatible polarizable CO 2 model to yield similar improvement, providing a pathway for realizing novel high-pressure electrochemical systems.

25 ENERGY STORAGE↗
NASA NTRS1994

An investigation of fluid flow during induction stroke of a water analog model of an IC engine using an innovative optical velocimetry concept: LIPA

Optical measurements on an axisymmetrical quartz component engine research model were made to evaluate the flow field encountered during induction. The measurement technique is LIPA (Laser Induced Photochemical Anemometry), a non-intrusive velocimetry concept that provides an investigator of fluid flow with a tool to attain planar information about three-dimensional velocity and vorticity vectors in a single measurement step. The goal of this investigation is to further develop this measurement technique and apply it to study the induction stroke of a water analog model of a four-stroke internal combustion engine. The research conducted in the water analog model is a fundamental scientific inquiry into the flow fields that develop in the induction stroke of an engine at idling engine speeds. As this is the first investigation of its kind using LIPA technique, our goal has been to quantify, in a preliminary manner, the flow field features that develop during the intake stroke. In the process a more comprehensive understanding of the flow field features was developed, and tied to the quantification. The study evaluated the flow field of the intake stroke by estimating fields of velocity and vorticity. On the basis of these data, information about fluid dynamics during induction at engine speeds of 10, 20, and 30 RPM (corresponding to 170, 340, and 510 RPM respectively, when air is the flowing medium) for three different valve lifts was obtained. The overall development of the flow field, its energy content (kinetic, fluctuation) for the different settings of the engine parameters, vorticity information, and cyclic variations have been quantified. These have been discussed in terms of mixing performance.

Stier, Bernd↗
DOE OSTI2025

Water under hydrophobic confinement: entropy and diffusion

The properties of liquid water are known to change drastically in confined geometries. A most interesting and intriguing phenomenon is that the diffusion of water is found to be strongly enhanced by the proximity of a hydrophobic confining wall relative to the bulk diffusion. We report a molecular dynamics simulation using a classical water model investigating the water diffusion near a non-interacting smooth confining wall, which is assumed to imitate a hydrophobic surface, revealing a pronounced diffusion enhancement within several water layers adjacent to the wall. We present evidence that the observed diffusion enhancement can be accounted for, with a quantitative accuracy, using the universal scaling law for liquid diffusion that relates the diffusion rate to the excess entropy. These results show that the scaling law, which has so far only been used for the description of the diffusion in simple liquids, can successfully describe the diffusion in water. It is shown that the law can be used for the analysis of water dynamics under nanoscale hydrophobic confinement, which is currently a subject of intense research activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1973

Derivation of a three dimensional numerical water quality model for estuary and continental shelf application

A derivation is given for a three dimensional mass transport equation which is appropriate for numerical modeling of estuary and continental shelf water quality variations for both the time dependent and steady state cases. A finite difference approximation to the derived equation is presented and a solution scheme for the resulting equations outlined. Preliminary results are obtained using the model for the extremely simple problems which have analytical solutions. The numerical model, as presented, will provide a scheme to study water quality problems in coastal waters for both steady state and time dependent cases.

Spaulding, M.↗
NASA NTRS1994

Impact of microwave derived soil moisture on hydrologic simulations using a spatially distributed water balance model

Spatial distributions of soil moisture over an agricultural watershed with a drainage area of 60 ha were derived from two NASA microwave remote sensors, and then used as a feedback to determine the initial condition for a distributed water balance model. Simulated hydrologic fluxes over a period of twelve days were compared with field observations and with model predictions based on a streamflow derived initial condition. The results indicated that even the low resolution remotely sensed data can improve the hydrologic model's performance in simulating the dynamics of unsaturated zone soil moisture. For the particular watershed under study, the simulated water budget was not sensitive to the resolutions of the microwave sensors.

Lin, D. S.↗
NASA NTRS1975

Development of a three dimensional numerical water quality model for continental shelf applications

A model to predict the distribution of water quality parameters in three dimensions was developed. The mass transport equation was solved using a non-dimensional vertical axis and an alternating-direction-implicit finite difference technique. The reaction kinetics of the constituents were incorporated into a matrix method which permits computation of the interactions of multiple constituents. Methods for the computation of dispersion coefficients and coliform bacteria decay rates were determined. Numerical investigations of dispersive and dissipative effects showed that the three-dimensional model performs as predicted by analysis of simpler cases. The model was then applied to a two dimensional vertically averaged tidal dynamics model for the Providence River. It was also extended to a steady state application by replacing the time step with an iteration sequence. This modification was verified by comparison to analytical solutions and applied to a river confluence situation.

Spaulding, M.↗
DOE OSTI2025

Enhancing Drinking Water Quality Modeling: Leveraging Physics Informed Neural Networks for Learning with Imperfect Reaction Models and Partial Data

Chemical kinetics models, typically formulated as systems of ordinary or partial differential equations, are valuable tools for simulating drinking water quality. However, these models often face inaccuracies due to discrepancies between the laboratory and the real-world conditions, as well as limitations in experimental analytical methods, hindering the accurate representation of the true underlying chemical mechanisms. In this study, we propose a Physics Informed Neural Network (PINN), using the eXtreme Theory of Functional Connections, to improve the prediction of chemical concentrations over time. The PINN method accounts for imperfect chemical models and incorporates partial data to improve predictions. Focusing on reactions describing water disinfection residual and disinfectant byproduct formation, which are crucial for public health and regulatory compliance, we demonstrate that the PINN model is able to accurately predict the concentrations of chemical species across various pH values. Notably, the model extends its accuracy to predict concentrations of chemical species not originally included in its training data. The developed method can be extended to a variety of chemical systems, offering a wide array of potential applications.

13 HYDRO ENERGY↗
NASA NTRS2013

Multiphase Modeling of Water Injection on Flame Deflector

This paper describes the use of an Eulerian Dispersed Phase (EDP) model to simulate the water injected from the flame deflector and its interaction with supersonic rocket exhaust from a proposed Space Launch System (SLS) vehicle. The Eulerian formulation, as part of the multi-phase framework, is described. The simulations show that water cooling is only effective over the region under the liquid engines. Likewise, the water injection provides only minor effects over the surface area under the solid engines.

Vu, Bruce T.↗
NASA NTRS2010

NASA-Modified Precipitation Products to Improve EPA Nonpoint Source Water Quality Modeling for the Chesapeake Bay

The Environmental Protection Agency (EPA) has estimated that over 20,000 water bodies within the United States do not meet water quality standards. Ninety percent of the impairments are typically caused by nonpoint sources. One of the regulations in the Clean Water Act of 1972 requires States to monitor the Total Maximum Daily Load (TMDL), or the amount of pollution that can be carried by a water body before it is determined to be "polluted", for any watershed in the U.S.. In response to this mandate, the EPA developed Better Assessment Science Integrating Nonpoint Sources (BASINS) as a Decision Support Tool (DST) for assessing pollution and to guide the decision making process for improving water quality. One of the models in BASINS, the Hydrological Simulation Program -- Fortran (HSPF), computes daily stream flow rates and pollutant concentration at each basin outlet. By design, precipitation and other meteorological data from weather stations serve as standard model input. In practice, these stations may be unable to capture the spatial heterogeneity of precipitation events especially if they are few and far between. An attempt was made to resolve this issue by substituting station data with NASA modified/NOAA precipitation data. Using these data within HSPF, stream flow was calculated for seven watersheds in the Chesapeake Bay Basin during low flow periods, convective storm periods, and annual flows. In almost every case, the modeling performance of HSPF increased when using the NASA-modified precipitation data, resulting in better stream flow statistics and, ultimately, in improved water quality assessment.

Nigro, Joseph↗
NASA NTRS1981

Water production models for comet Bradfield /1979 X/

Whipple (1950, 1951) has proposed that water might be the dominant volatile constituent of the cometary nucleus. The considered investigation is concerned with the clues which observations of the cometary coma provide regarding the parents of the dominant observed coma species. In the early part of 1980, comet Bradfield (1979 X) was observed with the aid of the International Ultraviolet Explorer (IUE). These measurements are the first which provide a basis for a comprehensive study of all three water dissociation products, H, O, and OH, simultaneously. The IUE observations of comet Bradfield are compared with the predictions derived from an H2O model. The obtained results indicate that the observed brightnesses of H, O, and OH are certainly consistent with a common water source for all three species.

Weaver, H. A.↗
NASA NTRS2013

Inferring Soil Moisture Memory from Streamflow Observations Using a Simple Water Balance Model

Soil moisture is known for its integrative behavior and resulting memory characteristics. Soil moisture anomalies can persist for weeks or even months into the future, making initial soil moisture a potentially important contributor to skill in weather forecasting. A major difficulty when investigating soil moisture and its memory using observations is the sparse availability of long-term measurements and their limited spatial representativeness. In contrast, there is an abundance of long-term streamflow measurements for catchments of various sizes across the world. We investigate in this study whether such streamflow measurements can be used to infer and characterize soil moisture memory in respective catchments. Our approach uses a simple water balance model in which evapotranspiration and runoff ratios are expressed as simple functions of soil moisture; optimized functions for the model are determined using streamflow observations, and the optimized model in turn provides information on soil moisture memory on the catchment scale. The validity of the approach is demonstrated with data from three heavily monitored catchments. The approach is then applied to streamflow data in several small catchments across Switzerland to obtain a spatially distributed description of soil moisture memory and to show how memory varies, for example, with altitude and topography.

Soil Moisture↗
NASA NTRS1993

Variational data assimilation with a semi-Lagrangian semi-implicit global shallow-water equation model and its adjoint

An adjoint model is developed for variational data assimilation using the 2D semi-Lagrangian semi-implicit (SLSI) shallow-water equation global model of Bates et al. with special attention being paid to the linearization of the interpolation routines. It is demonstrated that with larger time steps the limit of the validity of the tangent linear model will be curtailed due to the interpolations, especially in regions where sharp gradients in the interpolated variables coupled with strong advective wind occur, a synoptic situation common in the high latitudes. This effect is particularly evident near the pole in the Northern Hemisphere during the winter season. Variational data assimilation experiments of 'identical twin' type with observations available only at the end of the assimilation period perform well with this adjoint model. It is confirmed that the computational efficiency of the semi-Lagrangian scheme is preserved during the minimization process, related to the variational data assimilation procedure.

Li, Y.↗
DOE OSTI2024

Utilizing waste heat in wastewater treatment plants for water desalination: Modeling and Multi-Objective optimization of a Multi-Effect desalination system using Decision Tree Regression and Pelican optimization algorithm

This paper examines the feasibility of using waste heat from wastewater treatment plants (WWTPs) for water desalination. A model was developed to utilize waste heat from the gensets at As Samra WWTP in Jordan, using real data and TRNSYS® software to calculate available waste heat. The desalination process was then modeled with ASPEN PLUS® software, focusing on multi-effect desalination (MED). Both series and parallel configurations for the MED system were compared. The study investigated the effects of system feeding flow rate, feeding pressure, and heat input on productivity, performance ratio, and recovery ratio. The study also introduces a novel optimization technique combining machine learning and modern optimization algorithms to maximize system productivity and performance. Initially, a decision tree regression (DTR) model is developed to establish relationships between key independent variables (flow rate, feed pressure, and heat input) and dependent variables (productivity, performance ratio, and recovery ratio). The Pelican Optimization Algorithm (POA) is then used to identify the optimal values of the independent variables for maximum productivity and performance. The results show that using a series configuration yields a system productivity of 3984.2 kg/hr, a performance ratio of 3.78, and a recovery ratio of 0.991 at a feed flow rate of 4000 kg/hr, feed pressure of 3 bars, and heat input of 719 kW. Optimal productivity (4421 kg/hr), performance ratio (3.81), and recovery ratio (0.851) are achieved at a feed flow rate of 5166 kg/hr, feed pressure of 3.2 bars, and heat input of 794 kW. In conclusion, the techno-economic assessment indicates a levelized cost of water of 1.63 USD/m 3 for parallel configurations and 1.65 USD/m 3 for series configurations, with a payback period of less than two years.

42 ENGINEERING↗