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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 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Dynamics of a Persistent Insulator-to-Metal Transition in Strained Manganite Films

Transition metal oxides possess complex free-energy surfaces with competing degrees of freedom. Photoexcitation allows shaping of such rich energy landscapes. In epitaxially strained La 0.67 Ca 0.33 MnO 3 , optical excitation with a sub-100-fs pulse above 2 mJ/cm 2 leads to a persistent metallic phase below 100 K. Here, using single-shot optical and terahertz spectroscopy, we show that this phase transition is a multistep process. We conclude that the phase transition is driven by partial charge-order melting, followed by growth of the persistent metallic phase on longer timescales. A time-dependent Ginzburg-Landau model can describe the fast dynamics of the reflectivity, followed by longer timescale in-growth of the metallic phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Low-order aquifer thermal energy storage model for geothermal system simulation

This paper presents a low-order aquifer thermal energy storage (ATES) model for simulation of combined subsurface and above-surface energy systems. The model is included in the Modelica IBPSA Library, which is a free open-source library with basic models for building and district energy and control systems. The model uses a lumped-component method, in which the transient conductive-convective heat and mass transfer equation is radially discretized. To verify the accuracy of the model, we present an inter-model comparison from a simulation test suite. Results show that the Modelica ATES model is in good agreement, with a normalized mean bias error for yearly variation of aquifer temperatures of 1.6×10−2 and 9×10−5 at 1 m and 10 m distance from the well.

Maccarini, Alessandro↗
NASA NTRS2002

Investigation of Aerodynamic and Radiometric Land Surface Temperatures

The surface temperature, T(sub s), of a land surface measured by a radiometer, T(sub s,r), and the temperature "felt" by the air, T(sub aero), often differ significantly and are difficult if not impossible to define rigorously. However, recent studies conducted by the principal investigators with several land surface models suggest that this problem can be largely resolved. The main goal of this project was to use model-based and empirical studies to improve understanding and reconcile the difference between T(sub s,r) and T(sub aero), while maintaining consistency within the models and with theory and data. The results from this effort have contributed progress towards the effective use of remotely sensed surface temperature measurements taken from an arbitrary view angle over a partial canopy cover for producing high quality sensible and latent heat flux estimates. In addition, we have developed parameterizations that are designed to improve the representation of the roughness length for heat in climate and mesoscale models. This not only provides improved representation of surface energy balance in such models, but should also facilitate the use of surface temperature measurements for validating or updating the surface temperature produced by SVATs (soil-vegetation-atmosphere schemes) in climate or mesoscale models.

Friedl, Mark↗
NASA NTRS1979

Energy dependence of the trapping of uranium atoms by aluminum oxide surfaces

The energy dependence of the trapping probability for sputtered U-235 atoms striking an oxidized aluminum collector surface at energies between 1 eV and 184 eV was measured. At the lowest energies, approximately 10% of the uranium atoms are not trapped, while above 10 eV essentially all of them stick. Trapping probabilities averaged over the sputtered energy distribution for uranium incident on gold and mica are also presented.

Librecht, K. G.↗
NASA NTRS1998

Thermal Infrared Remote Sensing for Analysis of Landscape Ecological Processes: Methods and Applications

Thermal Infrared (TIR) remote sensing data can provide important measurements of surface energy fluxes and temperatures, which are integral to understanding landscape processes and responses. One example of this is the successful application of TIR remote sensing data to estimate evapotranspiration and soil moisture, where results from a number of studies suggest that satellite-based measurements from TIR remote sensing data can lead to more accurate regional-scale estimates of daily evapotranspiration. With further refinement in analytical techniques and models, the use of TIR data from airborne and satellite sensors could be very useful for parameterizing surface moisture conditions and developing better simulations of landscape energy exchange over a variety of conditions and space and time scales. Thus, TIR remote sensing data can significantly contribute to the observation, measurement, and analysis of energy balance characteristics (i.e., the fluxes and redistribution of thermal energy within and across the land surface) as an implicit and important aspect of landscape dynamics and landscape functioning. The application of TIR remote sensing data in landscape ecological studies has been limited, however, for several fundamental reasons that relate primarily to the perceived difficulty in use and availability of these data by the landscape ecology community, and from the fragmentation of references on TIR remote sensing throughout the scientific literature. It is our purpose here to provide evidence from work that has employed TIR remote sensing for analysis of landscape characteristics to illustrate how these data can provide important data for the improved measurement of landscape energy response and energy flux relationships. We examine the direct or indirect use of TIR remote sensing data to analyze landscape biophysical characteristics, thereby offering some insight on how these data can be used more robustly to further the understanding and modeling of landscape ecological processes.

Quattrochi, Dale A.↗
NASA NTRS1979

The reflectance characteristics of snow covered surfaces

Data analysis techniques were developed to most efficiently use available satellite measurements to determine and understand components of the surface energy budget for ice and snow-covered areas. The emphasis is placed on identifying the important components of the heat budget related to snow surfaces, specifically the albedo and the energy consumed in the melting process. Ice and snow charts are prepared by NOAA from satellite observations which map areas into three relative reflectivity zones. Field measurements are analyzed of the reflectivity of an open snow field to assist in the interpretation of the NOAA reflectivity zones.

Batten, E. S.↗
NASA NTRS2014

Irrigation as an Historical Climate Forcing

Irrigation is the single largest anthropogenic water use, a modification of the land surface that significantly affects surface energy budgets, the water cycle, and climate. Irrigation, however, is typically not included in standard historical general circulation model (GCM) simulations along with other anthropogenic and natural forcings. To investigate the importance of irrigation as an anthropogenic climate forcing, we conduct two 5-member ensemble GCM experiments. Both are setup identical to the historical forced (anthropogenic plus natural) scenario used in version 5 of the Coupled Model Intercomparison Project, but in one experiment we also add water to the land surface using a dataset of historically estimated irrigation rates. Irrigation has a negligible effect on the global average radiative balance at the top of the atmosphere, but causes significant cooling of global average surface air temperatures over land and dampens regional warming trends. This cooling is regionally focused and is especially strong in Western North America, the Mediterranean, the Middle East, and Asia. Irrigation enhances cloud cover and precipitation in these same regions, except for summer in parts of Monsoon Asia, where irrigation causes a reduction in monsoon season precipitation. Irrigation cools the surface, reducing upward fluxes of longwave radiation (increasing net longwave), and increases cloud cover, enhancing shortwave reflection (reducing net shortwave). The relative magnitude of these two processes causes regional increases (northern India) or decreases (Central Asia, China) in energy availability at the surface and top of the atmosphere. Despite these changes in net radiation, however, climate responses are due primarily to larger magnitude shifts in the Bowen ratio from sensible to latent heating. Irrigation impacts on temperature, precipitation, and other climate variables are regionally significant, even while other anthropogenic forcings (anthropogenic aerosols, greenhouse gases, etc.) dominate the long term climate evolution in the simulations. To better constrain the magnitude and uncertainties of irrigation-forced climate anomalies, irrigation should therefore be considered as another important anthropogenic climate forcing in the next generation of historical climate simulations and multimodel assessments.

simulation↗
NASA NTRS1984

An energy balance climate model with cloud feedbacks

The present two-level global climate model, which is based on the atmosphere-surface energy balance, includes physically based parameterizations for the exchange of heat and moisture across latitude belts and between the surface and the atmosphere, precipitation and cloud formation, and solar and IR radiation. The model field predictions obtained encompass surface and atmospheric temperature, precipitation, relative humidity, and cloudiness. In the model integrations presented, it is noted that cloudiness is generally constant with changing temperature at low latitudes. High altitude cloudiness increases with temperature, although the cloud feedback effect on the radiation field remains small because of compensating effects on thermal and solar radiation. The net global feedback by the cloud field is negative, but small.

Roads, J. O.↗
DOE OSTI2022

Elucidating facet dependent electronic and electrochemical properties of Cu 2 O nanocrystals using AFM/SCEM and DFT

Cuprous oxide (Cu 2 O) has extensively been studied owing to its excellent optical, magnetic, and catalytic properties. Many of these properties are facet-dependent and have not been well elucidated. This work synthesized cubic, cuboctahedral, octahedral, and rhombic dodecahedral shaped Cu 2 O nanocrystals of ~300 nm in size to evaluate the facet-dependent electrochemical activities. Here, cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) were firstly used to reveal the average electrochemical activities at the ensemble level. Atomic force microscopy-scanning electrochemical microscopy (AFM-SECM) was further used to assess the electrochemical activities of different Cu 2 O nanocrystals at the facet level. Hexaammineruthenium (III) chloride ({Ru(NH 3 ) 6 }Cl 3 ) was employed as the probe molecules that reacted with four different Cu 2 O nanocrystals under —400mV and yielded ~300 pA current between the probing tip and the nanocrystal surface. The tip-current mapping results indicate that rhombic dodecahedral Cu 2 O exhibits higher electrocatalytic activity than other shaped Cu 2 O, due to the presence of dominant exposed facet of {110} as indicated by the relatively high tip current. Density-functional theory (DFT) calculations confirmed the facet dependence of local surface energy and electronic structure of Cu 2 O nanocrystals. Besides electrochemical activity, the surface work function and adsorptive properties were both observed to vary with the shape and dominant exposed facets of Cu 2 O. This study presented a unique experimental and computational chemistry approach to analyze surface electrochemical properties of Cu 2 O crystals at a crystalline facet level.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Analytic Gradients for Equation-of-Motion Coupled Cluster with Single, Double, and Perturbative Triple Excitations

Understanding the process of molecular photoexcitation is crucial in various fields, including drug development, materials science, photovoltaics, and more. The electronic vertical excitation energy is a critical property, for example in determining the singlet-triplet gap of chromophores. However, a full understanding of excited-state processes requires additional explorations of the excited-state potential energy surface and electronic properties, which is greatly aided by the availability of analytic energy gradients. Owing to its robust high accuracy over a wide range of chemical problems, equation-of-motion coupled-cluster with single and double excitations (EOM-CCSD) is a powerful method for predicting excited state properties, and the implementation of analytic gradients of many EOM-CCSD (excitation energies, ionization potentials, electron attachment energies, etc.) along with numerous successful applications high- lights the flexibility of the method. In specific cases where a higher level of accuracy is needed or in more complex electronic structures, the inclusion of triple excitations becomes essential, for example, in the EOM-CCSD* approach of Saeh and Stanton. In this work, we derive and implement for the first time the analytic gradients of EOMEE-CCSD*, which also provides a template for analytic gradients of related ex- cited state methods with perturbative triple excitations. Here, the capabilities of analytic EOMEE-CCSD* gradients are illustrated by several representative examples.

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

Activation of methane by U + studied by guided ion beam tandem mass spectrometry and quantum chemistry

Reaction pathways of all products formed in the U + + CH 4 (CD 4 ) reaction were explored as a function of kinetic energy using guided ion beam tandem mass spectrometry and quantum chemical calculations. UH + , UC + , UCH + , UCH 2 + , and UCH 3 + (and their perdeuterated analogues) are formed in endothermic reactions. In both systems, the UCH 2 + (UCD 2 + ) dehydrogenated product was the dominant product in the low-energy region, whereas the UH + (UD + ) hydride product became predominant at high energies. The kinetic energy behavior of the various products is consistent with a common intermediate of H–U + –CH 3 (D–U + –CD 3 ). Here, the kinetic energy dependence of all product cross sections was modeled to obtain experimental bond dissociation energies at 0 K (in eV): D 0 (U + –H) = 2.42 ± 0.10, D 0 (U + –C) = 3.95 ± 0.12, D 0 (U + –CH) = 4.91 ± 0.09, D 0 (U + –CH 2 ) = 4.11 ± 0.04, and D 0 (U + –CH 3 ) = 2.41 ± 0.09. Quantum chemical calculations using the UCCSD(T) and UB3LYP approaches with the cc-pwCVXZ-PP basis set with MDF-60 pseudopotential for U + and the aug-cc-pCVXZ and aug-cc-pVXZ (X = T, Q) basis set for carbon and hydrogen, respectively, validate the experimental bond dissociation energies and outline the potential energy surface for all reactions observed. In addition, spin–orbit corrections of the bond energies for all products were calculated at a CASSCF-CASPT2-RASSI level.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

A fundamental approach to the sticking of insect residues to aircraft wings

A proposed testing scheme is described for obtaining data on the effects of surface roughness and surface energy on insect adhesion. The road test apparatus is discussed as well as surface preparation techniques. Uncoated and polymer coated metal substrates were analyzed by SEM/ESCA/IRS before and following collision with insects. Critical surface tensions of unexposed Nyebar and poly sulfone coatings were 10 and 33 dynes/cm, respectively, as determined from contact angles. A total of 95% of insect residues collected belong to order Diptera. Significantly less insect debris was detected on the coated plates as compared to the uncoated plates. Minimal contamination at the 5 nm level of both coated and uncoated plates occurs even after hours of exposure to road conditions as determined by ESCA analysis. The presence of nitrogen detected by ESCA on exposed plates is unequivocal evidence for insect residues left on plates.

Eiss, N. S., Jr.↗
NASA NTRS1988

Radiative surface temperatures of the burned and unburned areas in a tallgrass prairie

This study was conducted in a natural tallgrass prairie area in the Flint Hills of Kansas. The objective was to evaluate the surface radiative temperatures of burned and unburned treatments of the grassland as a means of delineating the areas covered by each treatment. Burning is used to remove the senescent vegetation resulting from the previous year's growth. Surface temperatures were obtained in situ and by an airborne scanner. Burned and unburned grass canopies had distinctly different diurnal surface radiative temperatures. Measurements of surface energy balance components revealed a difference in partitioning of the available energy between the two canopies, which resulted in the difference in their measured surface temperatures. The magnitude of this difference is dependent on the time of measurements and topographic conditions.

Asrar, G.↗
NASA NTRS1990

A comparison of surface biophysical properties and remotely sensed variables from FIFE

A method for calculating surface energy balances is investigated which incorporates the vegetation index and/or other indicators of surface conductance at visible and near-IR channels. Data from the Konza Prairie are employed to confirm the hypothesized relationship between maximum canopy conductance and the observed simple-ratio vegetation index. The relationship is established, but more data regarding soil-surface contributions are required to estimate the total surface conductance to evapotranspiration.

Sellers, Piers↗
NASA NTRS1991

Nonlinear oscillations of inviscid free drops

The present analysis of free liquid drops' inviscid oscillations proceeds through solution of Bernoulli's equation to obtain the free surface shape and of Laplace's equation for the velocity potential field. Results thus obtained encompass drop-shape sequences, pressure distributions, particle paths, and the temporal evolution of kinetic and surface energies; accuracy is verified by the near-constant drop volume and total energy, as well as the diminutiveness of mass and momentum fluxes across drop surfaces. Further insight into the nature of oscillations is provided by Fourier power spectrum analyses of mode interactions and frequency shifts.

Patzek, T. W.↗
NASA NTRS1998

Solid Lubrication Fundamentals and Applications. Properties of Clean Surfaces: Adhesion, Friction, and Wear

This chapter presents the adhesion, friction, and wear behaviors of smooth, atomically clean surfaces of solid-solid couples, such as metal-ceramic couples, in a clean environment. Surface and bulk properties, which determine the adhesion, friction, and wear behaviors of solid-solid couples, are described. The primary emphasis is on the nature and character of the metal, especially its surface energy and ductility. Also, the mechanisms of friction and wear for clean, smooth surfaces are stated.

Miyoshi, Kazuhisa↗
NASA NTRS1998

Technical Report Series on Global Modeling and Data Assimilation: A Comparison of GEOS Assimilated Data with FIFE Observations - Volume 14

First ISLSCP Field Experiment (FIFE) observations have been used to validate the near-surface proper- ties of various versions of the Goddard Earth Observing System (GEOS) Data Assimilation System. The site- averaged FIFE data set extends from May 1987 through November 1989, allowing the investigation of several time scales, including the annual cycle, daily means and diurnal cycles. Furthermore, the development of the daytime convective planetary boundary layer is presented for several days. Monthly variations of the surface energy budget during the summer of 1988 demonstrate the affect of the prescribed surface soil wetness boundary conditions. GEOS data comes from the first frozen version of the assimilation system (GEOS-1 DAS) and two experimental versions of GEOS (v. 2.0 and 2.1) with substantially greater vertical resolution and other changes that influence the boundary layer. This report provides a baseline for future versions of the GEOS data assimilation system that will incorporate a state-of-the-art land surface parameterization. Several suggestions are proposed to improve the generality of future comparisons. These include the use of more diverse field experiment observations and an estimate of gridpoint heterogeneity from the new land surface parameterization.

Bosilovich, Michael G.↗