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At least 55 records · Page 3

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.↗

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.↗

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.↗

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.↗

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.↗

Observation of stacking engineered magnetic phase transitions within moiré supercells of twisted van der Waals magnets

Abstract Recent demonstrations of moiré magnetism, featuring exotic phases with noncollinear spin order in the twisted van der Waals (vdW) magnet chromium triiodide CrI 3 , have highlighted the potential of twist engineering of magnetic (vdW) materials. However, the local magnetic interactions, spin dynamics, and magnetic phase transitions within and across individual moiré supercells remain elusive. Taking advantage of a scanning single-spin magnetometry platform, here we report observation of two distinct magnetic phase transitions with separate critical temperatures within a moiré supercell of small-angle twisted double trilayer CrI 3 . By measuring temperature-dependent spin fluctuations at the coexisting ferromagnetic and antiferromagnetic regions in twisted CrI 3 , we explicitly show that the Curie temperature of the ferromagnetic state is higher than the Néel temperature of the antiferromagnetic one by ~10 K. Our mean-field calculations attribute such a spatial and thermodynamic phase separation to the stacking order modulated interlayer exchange coupling at the twisted interface of moiré superlattices.

36 MATERIALS SCIENCE↗

KBKit: A Python Toolkit for Kirkwood–Buff Theory from Molecular Dynamics

Thermodynamic properties of liquid mixtures govern processes that range from drug delivery to energy storage, yet extracting these properties from molecular simulations remains challenging. Kirkwood–Buff (KB) theory offers a rigorous route by linking microscopic pair distribution functions to macroscopic free energies, but practical use of the theory has been hindered by two obstacles: (i) the long simulations needed to obtain well-converged Kirkwood-Buff integrals (KBIs) and (ii) the specialized corrections required to translate finite-size data to the thermodynamic limit. $\texttt{KBKit}$ is an open-source Python package that removes these barriers. It automatically computes KBIs and derived thermodynamic quantities from GROMACS input files, applies state-of-the-art finite-size corrections, and provides built-in diagnostic tools to quantify statistical uncertainty. Written with modern software-engineering practices—continuous integration, extensive unit testing, and thorough documentation—$\texttt{KBKit}$ is both reliable and easy to extend. By condensing complex KBI analysis into a few intuitive commands, $\texttt{KBKit}$ enables researchers to incorporate KB theory into routine simulation workflows and accelerate the discovery of solution-phase thermodynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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.↗

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.↗

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.↗

Exploring Cr and molten salt interfacial interactions for molten salt applications

Molten salts play an important role in various energy-related applications such as high-temperature heat transfer fluids and reaction media. However, the extreme molten salt environment causes the degradation of materials, raising safety and sustainability challenges. A fundamental understanding of material–molten salt interfacial evolution is needed. This work studies the transformation of metallic Cr in molten 50/50 mol% KCl–MgCl 2 via multi-modal in situ synchrotron X-ray nano-tomography, diffraction and spectroscopy combined with density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. Notably, in addition to the dissolution of Cr in the molten salt to form porous structures, a δ-A15 Cr phase was found to gradually form as a result of the metal–salt interaction. This phase change of Cr is associated with a change in the coordination environment of Cr at the interface. DFT and AIMD simulations provide a basis for understanding the enhanced stability of δ-A15 Cr vs. bcc Cr, by revealing their competitive phase thermodynamics at elevated temperatures and probing the interfacial behavior of the molten salt at relevant facets. This study provides critical insights into the morphological and chemical evolution of metal–molten salt interfaces. Finally, the combination of multimodal synchrotron analysis and atomic simulation also offers an opportunity to explore a broader range of systems critical to energy applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Field Validation of Cloud Properties Sensor Field Campaign Report

The purpose of this campaign is to deploy Aerodyne Research Inc.’s extended wavelength cloud optical properties sensor (TWST-EN) in an operationally relevant environment with co-located, validated sensors. The Atmospheric Radiation Measurement (ARM) user facility’s Southern Great Plains (SGP) observatory is ideal for this deployment because of the variety of operational sensors that can measure some of the same cloud properties using different modalities. While cloud property sensors have long existed, they tend to be costly to produce and maintain. Our sensor measures absolute spectral radiance in the two bands and will retrieve cloud optical depth (COD), droplet effective radius, and thermodynamic phase. Our prototype is built predominantly from off-the-shelf components and uses uncooled spectrometers. A lower-cost, easy-to-use sensor such as this could allow deployment at many more sites for greater spatial coverage. Analysis and retrieval algorithm development using the data from this deployment has been a central technical objective of our U.S. Department of Energy Small Business Innovative Research (SBIR) Phase 2 contract (DE-SC0020473: Low-Cost Shortwave Spectroradiometer for Retrieval of Cloud Properties).

54 ENVIRONMENTAL SCIENCES↗

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.↗

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.↗

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.↗

Remote sensing of cloud radiation and microphysical parameters

Multispectral cloud radiometer (MCR) data, retrieved from a radiometer installed in a nadir viewing position on a high-altitude aircraft flying at 200 m/s and at an altitude of 60,000 ft above the mean sea level, are analyzed. The data discussed were obtained in the 0.754, 0.7609, 0.7634, 1.626, 2.125, and 11.38-micron channels, and are compared to lidar-derived profiles. Among the cloud parameters under consideration are the cloud scaled optical thickness, cloudtop altitude, scaled volume scattering coefficient, particle thermodynamic phase, mean particle size, and cloudtop temperature.

Wu, M.-L. C.↗

Quality of remote sensing measurements of cloud physical parameters in the cooperative convective precipitation experiment

In order to develop the remote sensing techniques to infer cloud physical parameters, a multispectral cloud radiometer (MCR) was mounted on a NASA high-altitude aircraft in conjunction with the Cooperative Convective Precipitation Experiment in 1981. The MCR has seven spectral channels, of which three are centered near windows associated with water vapor bands in the near infrared, two are centered near the oxygen A band at 0.76 microns, one is centered at the 1.14-micron water vapor band, and one is centered in the thermal infrared. The reflectance and temperature measured on May 31, 1981, are presented together with theoretical calculations. The results indicate that the MCR produces quality measurements. Therefore several cloud parameters can be derived with good accuracy. The parameters are the cloud-scaled optical thickness, cloud top pressure, volume scattering coefficient, particle thermodynamic phase, effective mean particle size, and cloud-top temperature.

Wu, M.-L.↗