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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
DOE OSTI2024

Numerical Investigation of Observational Flux Partitioning Methods for Water Vapor and Carbon Dioxide

Abstract While yearly budgets of CO 2 flux (F c ) and evapotranspiration (ET) above vegetation can be readily obtained from eddy‐covariance measurements, the separate quantification of their soil (respiration and evaporation) and canopy (photosynthesis and transpiration) components remains an elusive yet critical research objective. In this work, we investigate four methods to partition observed total fluxes into soil and plant sources: two new and two existing approaches that are based solely on analysis of conventional high frequency eddy‐covariance (EC) data. The physical validity of the assumptions of all four methods, as well as their performance under different scenarios, are tested with the aid of large‐eddy simulations, which are used to replicate eddy‐covariance field experiments. Our results indicate that canopies with large, exposed soil patches increase the mixing and correlation of scalars; this negatively impacts the performance of the partitioning methods, all of which require some degree of uncorrelatedness between CO 2 and water vapor. In addition, best performances for all partitioning methods were found when all four flux components are non‐negligible, and measurements are collected close to the canopy top. Methods relying on the water‐use efficiency (W) perform better whenWis known a priori, but are shown to be very sensitive to uncertainties in this input variable especially when canopy fluxes dominate. We conclude by showing how the correlation coefficient between CO 2 and water vapor can be used to infer the reliability of differentWparameterizations.

Environmental Sciences & Ecology↗
DOE OSTI2021

First-Principles Simulations of CuCl in High-Temperature Water Vapor

Experimental data suggest that the solubility of copper in high-temperature water vapor is controlled by the formation of hydrated clusters of the form CuCl(H 2 O) n , where the average number of water molecules in the cluster generally increases with increasing density [Migdisov, A. A.; et al. Geochim. Cosmochim. Acta2014, 129, 33–53]. However, the precise nature of these clusters is difficult to probe experimentally. Moreover, there are some discrepancies between experimental estimates of average cluster size and prior simulation work [Mei, Y. Geofluids2018, 2018, 4279124]. Here, we have performed first-principles Monte Carlo (MC) and molecular dynamics (MD) simulations to explore these clusters in finer detail. We find that molecular dynamics is not the most appropriate technique for studying aggregation in vapor phases, even at relatively high temperatures. Specifically, our MD simulations exhibit substantial problems in adequately sampling the equilibrium cluster size distribution. In contrast, MC simulations with specialized cluster moves are able to accurately sample the phase space of hydrogen-bonding vapors. At all densities, we find a stable, slightly distorted linear H 2 O–Cu–Cl structure, which is in agreement with the earlier simulations, surrounded by a variable number of water molecules. The surrounding water molecules do not form a well-defined second solvation shell but rather a loose network of hydrogen-bonded water with molecular CuCl on the outside edge of the water cluster. We also find a broad distribution of hydration numbers, especially at higher densities. In contrast to previous simulation work but in agreement with experimental data, we find that the average hydration number substantially increases with increasing density. Moreover, the value of the hydration number depends on the choice of cluster definition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Theoretical model of dielectrophoretic water vapor condensation during multiphase flow of electrically charged water droplets in air

Water droplet growth in air, influenced by vapor diffusion and electrical charging, has significant implications for indoor air quality, cloud formation, and aerosol dynamics. Here, this study presents a comprehensive theoretical model that describes the growth dynamics of electrically charged water droplets under external electric fields, incorporating diffusion, electrostatic, and dielectrophoretic forces to enhance understanding and practical applications in air dehumidification and environmental control. A theoretical model was established to analyze the growth dynamics of the charged water droplets. The approach extended the thermodynamic framework of the Modified Kelvin-Thomson equation by integrating electrostatic and dielectrophoretic effects, enabling a comprehensive evaluation of vapor concentration near the surface of charged droplets. A sensitivity analysis was performed to assess the roles of droplet size, electric field intensity, surface charge, and vapor concentration on condensation rates. The study progressed beyond the classical diffusion-limited growth of neutral droplets, addressing the behavior of charged droplets in electrohydrodynamic environments. The model highlighted the significance of dielectrophoretic drift flux for dipolar vapor molecules, especially in micron-sized droplets ranging from 10 to 100 µm. Findings demonstrated that, for smaller droplets subjected to elevated electrical charge, average growth rates varied from 0.3 to 1.6 µm/s if the air relative humidity increased from 50 to 100 %. Analytical results are corroborated by numerical simulations, which exhibited strong concordance, thereby validating the proposed theoretical approach. This research introduced an innovative and scalable analytical methodology for electric field-enhanced droplet growth, offering valuable insights into the advancement of energy-efficient air dehumidification, water desalination, and atmospheric water harvesting technologies.

42 ENGINEERING↗
DOE OSTI2021

Invited Review Paper in Commemoration of Over 50 Years of Oxidation of Metals: Addressing the Role of Water Vapor on Long-Term Stainless Steel Oxidation Behavior

In the past 20 years, it has become clear that the long-term exposure of chromia-forming austenitic stainless steels to air containing ~ 10 vol% water vapor at 650–800 °C significantly increases the Cr consumption rate compared to laboratory air. However, a similar acceleration does not occur in 100% steam because O 2 is not available to form volatile CrO 2 (OH) 2 . As the research has shown, this accelerated Cr loss is particularly important for thin-walled components like gas turbine recuperators. Typically, conventional austenitic stainless steels exhibit accelerated attack (i.e., rapid formation of Fe-rich oxide nodules), while higher alloyed steels resist this type of degradation until the alloy surface becomes Cr depleted. The development of strategies and solutions for this issue are reviewed. Model Fe–Cr–Ni alloys have been used to study composition effects on this behavior. For example, increasing the Mn content up to ~ 4 wt% was not beneficial, but increasing the Ni content improved oxidation resistance in this environment. However, at 650–700 °C even highly alloyed steels showed surface Cr depletion at alloy grain boundaries resulting in Fe-rich oxide nodule formation. The path forward for this issue will require more refined mechanistic understanding and increased used of modeling to develop better application-specific lifetime models to identify the most cost-effective alloy solutions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Structure of an Atmospheric River over Australia and the Southern Ocean. Part I: Tropical and Midlatitude Water Vapor Fluxes

An atmospheric river (AR) impacting Australia-Tasmania and the Southern Ocean during the Austral summer on 28-29 January 2018 during the SOCRATES campaign is analyzed using both a modeling and observational approach. Gulfstream-V dropsonde measurements and GPM radar analyses were used in conjunction with Weather Research and Forecasting model simulations with water vapor tracers to investigate the relative contributions of tropical and mid-latitude moisture sources to the AR. Moisture associated with a monsoonal tropical depression became entrained into a mid-latitude frontal system that extended to 60°S over the Southern Ocean reaching the associated low pressure system 850 km off the east coast of Antarctica – effectively connecting the tropics and the polar region. Tropical moisture contributed to about 50% of the precipitable water within the AR. The tropical contribution to precipitation decreased with latitude, from > 70% over the Australian continent, to ~50% off the Australian coast, to less than 10% poleward of 60°S. Precipitation in the AR conformed to a seeder-feeder model, the seeder precipitation forming primarily from tropical sourced moisture above the altitude of the 0°C isotherm, and the feeder precipitation sourced from mid-latitude sourced moisture below the altitude of the 0°C isotherm. The integrated vapor transport (IVT) through the core of the AR reached above 500 kg m-1s-1 during 1200 UTC 28 January to 0600 UTC 29 January 29, 1.29 times the average amount of water carried by the world’s largest river, the Amazon. The high IVT strength might be attributed to the higher water vapor content associated with the warmer temperatures in Austral summer.

Rauber, Robert M.↗
DOE OSTI2025

Nanoscopic Structure of the Interface between Reduced TiO 2– x (110) and Water Vapor

We investigate the interaction between a reduced rutile TiO 2–x (110)-(1×4) surface and water vapor at ambient pressures using atomic force microscopy and X-ray photoelectron spectroscopy (AP-AFM and AP-XPS). Our results reveal that water molecules strongly interact with the reduced surface, leading to hydroxylation and localized clustering of water molecules. In defect-rich regions, AFM tip-induced restructuring causes removal of the topmost surface layer, highlighting the lowered cohesive energy of the surface atoms upon hydroxylation. These findings provide new insights into the water adsorption and restructuring mechanisms on reducible transition metal oxides, relevant for catalytic and environmental applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Atomistic mechanisms of water vapor–induced surface passivation

The microscopic mechanisms underpinning the spontaneous surface passivation of metals from ubiquitous water have remained largely elusive. Here, using in situ environmental electron microscopy to atomically monitor the reaction dynamics between aluminum surfaces and water vapor, we provide direct experimental evidence that the surface passivation results in a bilayer oxide film consisting of a crystalline-like Al(OH) 3 top layer and an inner layer of amorphous Al 2 O 3 . The Al(OH) 3 layer maintains a constant thickness of ~5.0 Å, while the inner Al 2 O 3 layer grows at the Al 2 O 3 /Al interface to a limiting thickness. On the basis of experimental data and atomistic modeling, we show the tunability of the dissociation pathways of H 2 O molecules with the Al, Al 2 O 3 , and Al(OH) 3 surface terminations. The fundamental insights may have practical significance for the design of materials and reactions for two seemingly disparate but fundamentally related disciplines of surface passivation and catalytic H 2 production from water.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Sapling bark water vapor conductance measurements from 2016-2019, Panama

This data package contains lab-based measurements of bark water vapor conductance from saplings in seasonally dry forests in the Parque Natural Metropolitano and Eugene Eisenmann Reserve, and a shadehouse in Panama. A total of 14 populations of 8 tree species were measured. The goal was to test whether bark water vapour conductance (gbark) was associated with values of stem water deficit that were published previously. In the attached zip file are two Excel metadata files with site information and descriptions of the CSV datasets included, as well as a PDF file "Sapling bvc metadata description," which describes the methods and protocol thoroughly. This data is associated with the publication Wolfe Brett T. 2020Bark water vapour conductance is associated with drought performance in tropical treesBiol. Lett.1620200263 https://doi.org/10.1098/rsbl.2020.0263.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

MWRRETV2 Value-Added Product Report: The Retrieval of Liquid Water Path and Precipitable Water Vapor from Microwave Radiometer – 3-Channel (MWR3C) Data Sets

This report provides a short description of the U.S. Department of Energy Atmospheric Radiation Measurement (ARM) user facility Microwave Radiometer – 3-Channel (MWR3C) Retrieval (MWRRETV2) Value-Added Product (VAP) algorithm. MWRRETV2 is an updated version of MWRRET, which extends the physical-iterative retrieval of liquid water path (LWP) and precipitable water vapor PWV) to 3-channel microwave radiometers beyond ARM's original standard 2-channel (23-and 31-GHz) systems. The 89-GHz channel in the 3-channel microwave radiometers has approximately three times the sensitivity to liquid water as the 31-GHz channel, thus improving LWP retrieval accuracy when LWP is less than 100 g/m2. We present a general overview of the technique, input parameters, and output products, and describe data quality checks.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Amazonian terrestrial water balance inferred from satellite-observed water vapor isotopes

Atmospheric humidity and soil moisture in the Amazon forest are tightly coupled to the region’s water balance, or the difference between two moisture fluxes, evapotranspiration minus precipitation (ET-P). However, large and poorly characterized uncertainties in both fluxes, and in their difference, make it challenging to evaluate spatiotemporal variations of water balance and its dependence on ET or P. Here, we show that satellite observations of the HDO/H 2 O ratio of water vapor are sensitive to spatiotemporal variations of ET-P over the Amazon. When calibrated by basin-scale and mass-balance estimates of ET-P derived from terrestrial water storage and river discharge measurements, the isotopic data demonstrate that rainfall controls wet Amazon water balance variability, but ET becomes important in regulating water balance and its variability in the dry Amazon. Changes in the drivers of ET, such as above ground biomass, could therefore have a larger impact on soil moisture and humidity in the dry (southern and eastern) Amazon relative to the wet Amazon.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Water vapor transmission rate measurement for moisture barriers using infrared imaging

Here, in this work, we demonstrate a spatially resolved imaging methodology for water vapor transmission rate (WVTR) testing that relies on quantified infrared characterization at water absorption bands. This technique is validated using a moisture barrier on a polymer substrate via calibration of the infrared image intensity with moisture content in the polymer substrate from images taken at different times. The method is compared to existing state of the art techniques such as membrane permeation measurement with coulometric phosphorous pentoxide sensor and optical calcium film testing. This fast, non-destructive and in-situ method enables defect visualization and shows the WVTR with a sensitivity limit of 5·10 –5 g/m 2 /day.

47 OTHER INSTRUMENTATION↗
DOE OSTI2025

Unravelling Adsorbate-Metal-Oxide Interactions: Water Vapor Chemistry on the Growth and Sintering of Ni over Reducible CeO2(111) Thin Films

The role of water in the growth and sintering of Ni particles over well-ordered CeOx(111) (1.5 < x < 2) thin films was investigated through scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS) studies, considering ceria-supported Ni attracts great attention as a promising catalyst for reactions such as steam reforming of ethanol and water gas shift reaction, in which water vapor is used as a key reactant. In the study, both fully oxidized CeO2 and partially reduced CeO1.75 thin films were prepared to examine the effect of the oxygen vacancies/Ce3+ sites in ceria supports. Our STM results revealed that dosing water before or after Ni deposition over the CeOx(111) surfaces at room temperature influenced the sintering behavior of Ni nanoparticles with further heating. Exposure of water to Ni nanoparticles that were deposited over both CeO2 and CeO1.75 at 300 K causes the formation of flatter particles with significantly reduced height when heating to the same temperatures compared to Ni/ceria with no water adsorbates. The flatter Ni particles were also observed when water was first dosed over CeO2 at 300 K followed by Ni deposition at room temperature and further heating. Over a partially reduced CeO1.75 surface with predosed water at 300 K, there is an extensive decrease in the particle density upon subsequent Ni deposition at room temperature and a significant increase in the height for Ni nanoparticles with further heating to higher temperatures compared to Ni over a pristine CeO1.75 surface. This is due to the filling of oxygen vacancies caused by the dissociation of water. This creates fewer nucleation sites for Ni on ceria, weakening the metal-oxide interaction and causing significant metal sintering. Our experimental findings suggest distinct adsorbate-metal-oxide interactions are key to the tuning of sintering of Ni nanoparticles over the CeOx(111) surface caused by water exposure. Such interactions are essential for the further modification of Ni-based catalysts for improved reactivity and stability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Water vapor transport through bioenergy grass residues and its effects on soil water evaporation

Miscanthus is a productive perennial grass that is suitable as a bioenergy crop in “marginal” lands (e.g., eroded soils) with low water holding capacity. However, little is known about the impact of miscanthus residues on vapor transport and soil water budgets. Laboratory experiments were conducted to measure the vapor conductance through miscanthus residues and its effect on soil water evaporation. The ranges for the length, width, and thickness of residue elements were 0.5–9.0, 0.1–0.5, and 0.1–0.5 cm, respectively. Average residue areal, bulk, and skeletal densities were 0.88 kg m –2 , 24 kg m –3 , and 1006 kg m –3 , respectively, giving a porosity of 0.98 m 3 m –3 . A power function described the decrease in conductance with increasing residue load. The corresponding conductance for a residue load of 0.88 kg m –2 was 1.6 mm s –1 . During the first days of a 60-day drying experiment, cumulative evaporation showed logarithmic decay with increasing residue load. Conversely, cumulative evaporation during the last days of the study showed little difference between treatments. Measurements indicated that there is a “critical” residue load (~1.0 kg m –2 ) beyond which evaporation no longer decreases appreciably when the soil is under the stage 1 evaporation regime. Results suggest that soil water conservation in marginal lands may be accomplished by maintaining moderate amounts of bioenergy grass residue covering the soil. Determining “critical” loads for different residue types is a knowledge gap that merits further research.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Effect of Water Vapor on Lifetime of 625 and 120 Foils During Oxidation Between 650 and 800 °C

In this work, the oxidation behavior of alloy 625 and 120 foils was studied at 650, 700 and 800 °C in dry air and flowing air + 10% H 2 O up to 10,000 h (alloy 625) or 30,000 h (alloy 120). The effect of water vapor on Cr loss was investigated. Manganese and iron in the 120 foil induced faster Cr depletion in the foil and breakdown of the Cr 2 O 3 scale into Fe and Cr-rich oxide compared to the alloy 625 foil. In the latter case, the presence of Nb led to the formation of Nb and Cr-rich oxide after breakdown of the Cr 2 O 3 scale. Simultaneous Cr loss due to oxidation and volatilization of the Cr 2 O 3 oxide scale was predicted and compared to experimental Cr loss measurements for exposures up to 30,000 h.

36 MATERIALS SCIENCE↗
DOE OSTI2025

The Efficiency of Water Vapor on Top‐of‐Atmosphere Radiation

Earth's climate sensitivity is greatly affected by the compensation between temperature feedback and water vapor (WV) feedback. Using abrupt 4xCO 2 experiments, we show that the global-mean WV feedback is nearly a linear function of the temperature feedback, the slope of which is explained by the longwave radiative efficiency of WV (ϵ). Although ϵ remains constant across models in the global mean, it exhibits substantial spatial variations and is particularly weak in Antarctica, where near-surface inversions decouple the surface from the free troposphere. We introduce a surface–free troposphere temperature difference (SFTD) metric, showing that positive SFTD (e.g., high lifting condensation level) amplifies ϵ, while negative SFTD (e.g., strong surface inversion) suppresses it. These findings provide a clear explanation of how local climate conditions modulate the radiative compensation between temperature and WV feedbacks.

climate feedback↗
DOE OSTI2020

Effect of water vapor on high-temperature oxidation of NiAl alloy

The high-temperature oxidation of NiAl is studied with dry oxygen and water vapor. The oxidation in H 2 O results in a thicker Al 2 O 3 oxide scale than that in O 2 . The oxide scale formed initially is a single layer of γ-Al 2 O 3 that subsequently transforms into a α-Al 2 O 3 /γ-Al 2 O 3 bilayer structure, in which the inner α-Al2O3 layer formed in H2O has a higher porosity than that in O 2 . Finally, further density functional theory calculations show that H protons derived from H 2 O molecules penetrate into the oxide lattice and boost the formation of lattice vacancies in both α-Al 2 O 3 and γ-Al 2 O 3 , thus enhancing the oxide scale growth.

36 MATERIALS SCIENCE↗