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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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NASA NTRS2010

Comparison of the MODIS Collection 5 Multilayer Cloud Detection Product with CALIPSO

CALIPSO, launched in June 2006, provides global active remote sensing measurements of clouds and aerosols that can be used for validation of a variety of passive imager retrievals derived from instruments flying on the Aqua spacecraft and other A-Train platforms. The most recent processing effort for the MODIS Atmosphere Team, referred to as the Collection 5 scream, includes a research-level multilayer cloud detection algorithm that uses both thermodynamic phase information derived from a combination of solar and thermal emission bands to discriminate layers of different phases, as well as true layer separation discrimination using a moderately absorbing water vapor band. The multilayer detection algorithm is designed to provide a means of assessing the applicability of 1D cloud models used in the MODIS cloud optical and microphysical product retrieval, which are generated at a 1 km resolution. Using pixel-level collocations of MODIS Aqua, CALIOP, we investigate the global performance of multilayer cloud detection algorithms (and thermodynamic phase).

Platnick, Steven↗
NASA NTRS2001

CAP: A Computer Code for Generating Tabular Thermodynamic Functions from NASA Lewis Coefficients

For several decades the NASA Glenn Research Center has been providing a file of thermodynamic data for use in several computer programs. These data are in the form of least-squares coefficients that have been calculated from tabular thermodynamic data by means of the NASA Properties and Coefficients (PAC) program. The source thermodynamic data are obtained from the literature or from standard compilations. Most gas-phase thermodynamic functions are calculated by the authors from molecular constant data using ideal gas partition functions. The Coefficients and Properties (CAP) program described in this report permits the generation of tabulated thermodynamic functions from the NASA least-squares coefficients. CAP provides considerable flexibility in the output format, the number of temperatures to be tabulated, and the energy units of the calculated properties. This report provides a detailed description of input preparation, examples of input and output for several species, and a listing of all species in the current NASA Glenn thermodynamic data file.

Zehe, Michael J.↗
NASA NTRS2002

CAP: A Computer Code for Generating Tabular Thermodynamic Functions from NASA Lewis Coefficients

For several decades the NASA Glenn Research Center has been providing a file of thermodynamic data for use in several computer programs. These data are in the form of least-squares coefficients that have been calculated from tabular thermodynamic data by means of the NASA Properties and Coefficients (PAC) program. The source thermodynamic data are obtained from the literature or from standard compilations. Most gas-phase thermodynamic functions are calculated by the authors from molecular constant data using ideal gas partition functions. The Coefficients and Properties (CAP) program described in this report permits the generation of tabulated thermodynamic functions from the NASA least-squares coefficients. CAP provides considerable flexibility in the output format, the number of temperatures to be tabulated, and the energy units of the calculated properties. This report provides a detailed description of input preparation, examples of input and output for several species, and a listing of all species in the current NASA Glenn thermodynamic data file.

Zehe, Michael J.↗
NASA NTRS2005

An Automatic Phase-Change Detection Technique for Colloidal Hard Sphere Suspensions

Colloidal suspensions of monodisperse spheres are used as physical models of thermodynamic phase transitions and as precursors to photonic band gap materials. However, current image analysis techniques are not able to distinguish between densely packed phases within conventional microscope images, which are mainly characterized by degrees of randomness or order with similar grayscale value properties. Current techniques for identifying the phase boundaries involve manually identifying the phase transitions, which is very tedious and time consuming. We have developed an intelligent machine vision technique that automatically identifies colloidal phase boundaries. The algorithm utilizes intelligent image processing techniques that accurately identify and track phase changes vertically or horizontally for a sequence of colloidal hard sphere suspension images. This technique is readily adaptable to any imaging application where regions of interest are distinguished from the background by differing patterns of motion over time.

McDowell, Mark↗
NASA NTRS2021

Machine Learning the COSMO Model for Predicting Thermodynamics of Electrolyte Mixtures

Bottom-up design of electrolyte mixtures for battery systems requires predicting macro thermodynamic properties from molecular constituents. For instance, molten salt electrolyte batteries require conditions far above room temperature to operate. Therefore, discovering mixtures with increasingly lower eutectic melting points is desirable. A model that can approximate chemical activity is a valuable tool to search through the vast compositional design space. Machine learning can predict properties of materials such as vibrational free energies, electronic energy gaps, and thermal conductivities. Moreover, they can learn physical models such as interatomic potentials. The COSMO-SAC model uses theory and empirical parameterization to predict liquid-vapor and liquid-solid properties using first-principles calculations. However, obtaining activity coefficients required for parameterizing the COSMO-SAC model is costly and limited to a select chemical space. In this work, we explored if machine learning methods could improve the COSMO-SAC model and bridge density functional theory calculations to liquid phase thermodynamic properties. Our data-driven approach uses existing databases for sigma-profiles of organic solvents and reconciles their methodological differences via ensemble averaging. First, an optimal machine learning model is constructed for each dataset. Our machine learning algorithms use the sigma-profile as an input feature to predict binary mixtures' activity coefficients using multi-output regression. Each dataset uses different choices of functionals, methods, and basis sets. Therefore, our ensemble model attempts to predict corrected activity coefficients given the combination of all the model outputs. The activity coefficients used for training are generated using the COSMO-SAC model. This approach enables the extraction of meaningful information from the existing datasets to improve the COSMO-SAC model for obtaining thermodynamic properties of electrolyte mixtures. With the liquid phase activities, we can identify electrolyte mixtures that meet desired phase equilibria conditions.

Thermodynamics↗
NASA NTRS1991

Pressure-coupled vaporization and combustion responses of liquid-fuel droplets in high-pressure environments

The dynamic responses of liquid-fuel droplet vaporization and combustion to ambient pressure oscillations are examined. The analysis is based on the complete sets of conservation equations for both gas and liquid phases, and accommodates detailed treatments of finite-rate chemical kinetics and variable properties. With a full account of thermodynamic phase equilibrium at the droplet surface, the model enables a systematic examination of the effects of ambient flow conditions on the droplet behavior. The responses of hydrocarbon fuel droplets in both sub- and super-critical environments are investigated. Results indicate that the droplet gasification and burning mechanisms depend greatly on the ambient pressure. In particular, a rapid enlargement of the vaporization and combustion responses occurs when the droplet surface reaches its critical point, mainly due to the strong variations of latent heat of vaporization and thermophysical properties at the critical state.

Yang, Vigor↗
NASA NTRS1981

Thermodynamic properties and phase transitions in CO2 molecular clusters

The thermodynamic properties of (CO2)N molecular aggregates of size N between 2 and 13 have been investigated. These crystallites exhibit well defined orientational order-disorder rotational transitions accompanied by a structural transition into a plastic crystallite phase. In addition, they exhibit melting and disassociation transitions. It is shown that the interpretation of experimental data, based upon dimer properties, depends crucially on these results. Equilibrium structures and orientations are also given.

Etters, R. D.↗
NASA NTRS1975

The application of satellite data in the determination of ocean temperatures and cloud characteristics and statistics

The author has identified the following significant results. The major shortcoming of the data was the loss of the infrared radiances from the S191 spectrometer. The cloud thermodynamic phase determination procedure was derived and tested with the data collected by the S192 multispectral scanner. Results of the test indicate a large fraction of the data could be classified thermodynamically. An added bonus was the inclusion of snow in the classification approach. The conclusion to be drawn from this portion of the effort is that in most cases considered ice clouds, liquid water droplet clouds, and snow fields can be spectroscopically separated to a high degree of accuracy.

Curran, R. J.↗
NASA NTRS2008

Oxidation of ZrB2 SiC TaSi2 Materials at Ultra High Temperatures

ZrB2 - 20v% SiC - 20v% TaSi2 was oxidized in stagnant air for ten minute cycles for times up to 100 minutes at 1627 C and 1927 C. The sample oxidized at 1627 C showed oxidation resistance better than that of the standard ZrB2 - 20v% SiC. The sample oxidized at 1927 C, however, showed evidence of liquid phase formation and complex oxidation products. The sample exposed at 1927 C was analyzed in detail by scanning electron microprobe and wavelength dispersive spectroscopy to understand the complex oxidation and melting reactions occurring during exposure. The as hot-pressed material shows the formation of a Zr(Ta)B2 phase in addition to the three phases in the nominal composition already noted. After oxidation, the TaSi2 in the matrix was completely reacted to form Ta(Zr)C. The layered oxidation products included SiO2, ZrO2, Ta2O5, and a complex oxide containing both Zr and Ta. Likely reactions are proposed based on thermodynamic phase stability and phase morphology.

Opila, E.↗
NASA NTRS2019

Simulated Phase-dependent Spectra of Terrestrial Aquaplanets in M Dwarf Systems

Orbital phase-dependent variations in thermal emission and reflected stellar energy spectra can provide meaningful constraints on the climate states of terrestrial extrasolar planets orbiting M dwarf stars. Spatial distributions of water vapor, clouds, and surface ice are controlled by climate. In turn, water, in each of its thermodynamic phases, imposes significant modulations to thermal and reflected planetary spectra. Here we explore these characteristic spectral signals, based on 3D climate simulations of Earth-sized aquaplanets orbiting M dwarf stars near the habitable zone. By using 3D models, we can self-consistently predict surface temperatures and the location ofwater vapor, clouds, and surface ice in the climate system. Habitable zone planets in M dwarf systems are expected to be in synchronous rotation with their host star and thus present distinct differences in emitted and reflected energy fluxes depending on the observed hemisphere. Here we illustrate that icy, temperate, and incipient runaway greenhouse climate states exhibit phase-dependent spectral signals that enable their characterization.

Wolf, E. T.↗
NASA NTRS2009

Crystallographic Oxide Phase Identification of Char Deposits Obtained from Space Shuttle Columbia Window Debris

Analyzing the remains of Space Shuttle Columbia has proven technically beneficial years after the vehicle breakup. This investigation focused on charred deposits on fragments of Columbia overhead windowpanes. Results were unexpected relative to the engineering understanding of material performance in a reentry environment. The TEM analysis demonstrated that the oxides of aluminum and titanium mixed with silicon oxides to preserve a history of thermal conditions to which portions of the vehicle were exposed. The presence of Ti during the beginning of the deposition process, along with the thermodynamic phase precipitation upon cool down, indicate that temperatures well above the Ti melt point were experienced. The stratified observations implied that additional exothermic reaction, expectedly metal combustion of a Ti structure, had to be present for oxide formation. Results are significant for aerospace vehicles where thermal protection system (TPS) breaches cause substructures to be in direct path with the reentry plasma. 1

Olivas, J. D.↗
NASA NTRS1983

The structure and phase of cloud tops as observed by polarization lidar

High-resolution observations of the structure of cloud tops have been obtained with polarization lidar operated from a high altitude aircraft. Case studies of measurements acquired from cumuliform cloud systems are presented, two from September 1979 observations in the area of Florida and adjacent waters and a third during the May 1981 CCOPE experiment in southeast Montana. Accurate cloud top height structure and relative density of hydrometers are obtained from the lidar return signal intensity. Correlation between the signal return intensity and active updrafts was noted. Thin cirrus overlying developing turrets was observed in some cases. Typical values of the observed backscatter cross section were 0.1-5 (km/sr) for cumulonimbus tops. The depolarization ratio of the lidar signals was a function of the thermodynamic phase of cloud top areas. An increase of the cloud top depolarization with decreasing temperature was found for temperatures above and below -40 C.

Spinhirne, J. D.↗
NASA NTRS2003

Remote Sensing of Liquid Water and Ice Cloud Optical Thickness and Effective Radius in the Arctic: Application of Airborne Multispectral MAS Data

A multispectral scanning spectrometer was used to obtain measurements of the reflection function and brightness temperature of clouds, sea ice, snow, and tundra surfaces at 50 discrete wavelengths between 0.47 and 14.0 microns. These observations were obtained from the NASA ER-2 aircraft as part of the FIRE Arctic Clouds Experiment, conducted over a 1600 x 500 km region of the north slope of Alaska and surrounding Beaufort and Chukchi Seas between 18 May and 6 June 1998. Multispectral images of the reflection function and brightness temperature in 11 distinct bands of the MODIS Airborne Simulator (MAS) were used to derive a confidence in clear sky (or alternatively the probability of cloud), shadow, and heavy aerosol over five different ecosystems. Based on the results of individual tests run as part of the cloud mask, an algorithm was developed to estimate the phase of the clouds (water, ice, or undetermined phase). Finally, the cloud optical thickness and effective radius were derived for both water and ice clouds that were detected during one flight line on 4 June. This analysis shows that the cloud mask developed for operational use on MODIS, and tested using MAS data in Alaska, is quite capable of distinguishing clouds from bright sea ice surfaces during daytime conditions in the high Arctic. Results of individual tests, however, make it difficult to distinguish ice clouds over snow and sea ice surfaces, so additional tests were added to enhance the confidence in the thermodynamic phase of clouds over the Beaufort Sea. The cloud optical thickness and effective radius retrievals used 3 distinct bands of the MAS, with the newly developed 1.62 and 2.13 micron bands being used quite successfully over snow and sea ice surfaces. These results are contrasted with a MODIS-based algorithm that relies on spectral reflectance at 0.87 and 2.13 micron.

King, Michael D.↗
NASA NTRS1991

Heterogeneous processes: Laboratory, field, and modeling studies

The efficiencies of chemical families such as ClO(x) and NO(x) for altering the total abundance and distribution of stratospheric ozone are controlled by a partitioning between reactive (active) and nonreactive (reservoir) compounds within each family. Gas phase thermodynamics, photochemistry, and kinetics would dictate, for example, that only about 1 percent of the chlorine resident in the lower stratosphere would be in the form of active Cl or ClO, the remainder existing in the reservoir compounds HCl and ClONO2. The consistency of this picture was recently challenged by the recognition that important chemical transformations take place on polar regions: the Airborne Antarctic Ozone Experiment (AAOE) and the Airborne Arctic Stratospheric Expedition (AASA). Following the discovery of the Antarctic ozone hole, Solomon et al. suggested that the heterogeneous chemical reaction: ClONO2(g)+HCl(s) yields Cl2(g)+HNO3(s) could play a key role in converting chlorine from inactive forms into a species (Cl2) that would rapidly dissociate in sunlight to liberate atomic chlorine and initiate ozone depletion. The symbols (s) and (g) denote solid phase, or adsorbed onto a solid surface, and gas phase, respectively, and represent the approach by which such a reaction is modeled rather than the microscopic details of the reaction. The reaction was expected to be most important at altitudes where PSC's were most prevalent (10 to 25 km), thereby extending the altitude range over which chlorine compounds can efficiently destroy ozone from the 35 to 45 km region (where concentrations of active chlorine are usually highest) to lower altitudes where the ozone concentration is at its peak. This chapter will briefly review the current state of knowledge of heterogeneous processes in the stratosphere, emphasizing those results obtained since the World Meteorological Organization (WMO) conference. Sections are included on laboratory investigations of heterogeneous reactions, the characteristics and climatology of PSC's, stratospheric sulfate aerosols, and evidence of heterogeneous chemical processing.

Poole, Lamont R.↗
NASA NTRS1977

Optical polarimetry: Instrumentation and applications; Proceedings of the Seminar, San Diego, Calif., August 23, 24, 1977

Instrumentation used in optical polarimetry is discussed with reference to high-resolution spectropolarimetry, an orbiter cloud photopolarimeter, X-ray polarimeters, and the design of a self-nulling ellipsometer. Consideration is given to surface and thin-film ellipsometry noting studies of electrochemical surface layers, surface anisotropy, polish layers on infrared window materials, and anodic films. Papers on biological, chemical, and physical polarimetry are presented including birefringence in biological materials, vibrational optical activity, and the optical determination of the thermodynamic phase diagram of a metamagnet. Remote sensing is discussed in terms of polarization imagery, the optical polarimetry of particulate surfaces, and techniques and applications of elliptical polarimetry in astronomy and atmospheric studies.

Azzam, R. M. A.↗
NASA NTRS1981

Multichannel scanning radiometer for remote sensing cloud physical parameters

A multichannel scanning radiometer developed for remote observation of cloud physical properties is described. Consisting of six channels in the near infrared and one channel in the thermal infrared, the instrument can observe cloud physical parameters such as optical thickness, thermodynamic phase, cloud top altitude, and cloud top temperature. Measurement accuracy is quantified through flight tests on the NASA CV-990 and the NASA WB-57F, and is found to be limited by the harsh environment of the aircraft at flight altitude. The electronics, data system, and calibration of the instrument are also discussed.

Curran, R. J.↗
NASA NTRS1982

Skylab near-infrared observations of clouds indicating supercooled liquid water droplets

Orographically-induced lee-wave clouds were observed over New Mexico by a multichannel scanning radiometer on Skylab during December 1973. Channels centered at 0.83, 1.61 and 2.125 microns were used to determine the cloud optical thickness, thermodynamic phase and effective particle size. An additional channel centered at 11.4 microns was used to determine cloud-top temperature, which was corroborated through comparison with the stereographically determined cloud top altitudes and conventional temperature soundings. Analysis of the measured near-infrared reflection functions at 1.61 and 2.125 microns are most easily interpreted as indicating the presence of liquid-phase water droplets. This interpretation is not conclusive even after considerable effort to understand possible sources for misinterpretation. However, if accepted the resulting phase determination is considered anomalous due to the inferred cloud-top temperatures being in the -32 to -47 C range. Theory for the homogeneous nucleation of pure supercooled liquid water droplets predicts very short lifetimes for the liquid phase at these cold temperatures. A possible explanation for the observations is that the wave-clouds are composed of solution droplets. Impurities in the cloud droplets could decrease the homogeneous freezing rate for these droplets, permitting them to exist for a longer time in the liquid phase, at the cold temperatures found.

Curran, R. J.↗