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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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Polynomial fit coefficients have been obtained for the energy dependences of the photoelectric absorption cross sections of 17 astrophysically important elements. These results allow the calculation of X-ray absorption in the energy range 0.03-10 keV in material with noncosmic abundances.
Photothermal atomic force microscopy coupled with infrared spectroscopy (AFM-IR) brings significant value as a spatially resolved surface analysis technique for disordered oxide materials such as glasses, but additional development and fundamental understanding of governing principles is needed to interpret AFM-IR spectra, since the existing theory described for organic materials does not work for materials with high extinction coefficients for infrared (IR) absorption. This paper describes theoretical calculation of a transient temperature profile inside the IR-absorbing material considering IR refraction at the interface as well as IR adsorption and heat transfer inside the sample. Furthermore, this calculation explains the differences in peak positions and amplitudes of AFM-IR spectra from those of specular reflectance and extinction coefficient spectra. It also addresses the information depth of the AFM-IR characterization of bulk materials. AFM-IR applied to silica and silicate glass surfaces has demonstrated novel capability of characterizing subsurface structural changes and surface heterogeneity due to mechanical stresses from physical contacts, as well as chemical alterations manifested in surface layers through aqueous corrosion.
The influence of optically important constituents of water on the absorption (a) and scattering (b) coefficients and the backscattering probability is considered, with emphasis placed on measuring the volume scattering function (B/theta/). Two stratification models are examined; one in which the phase function (B(theta)/b) is depth independent and only b/c is allowed to vary with optical depth, and the other in which both b/c and the phase function depend on depth. The results demonstrate that Gordon's (1977) technique of estimating a and b is applicable without change to a stratified ocean.
This project was a collaboration between two Principal Investigators, Dr. Dariusz Stramski and Dr. Greg Mitchell of Scripps Institution of Oceanography, University of California San Diego. Our overall goal was to conduct optical measurements and modeling to estimate concentrations of organic matter in the Southern Ocean in support of the U.S. JGOFS Process Study in this region. Key variables and processes of high relevance to accomplish the JGOFS goals include time and space resolution of phytoplankton pigments, particulate organic carbon, and the formation and export of organic carbon. Our project focused on establishing the fundamental relationships for parameterization of these variables and processes in terms of the optical properties of seawater, and developing understanding of why the Southern Ocean differs from other low-latitude systems, or has differentiation within. Our approach builds upon historical observations that optical properties provide a useful proxy for key reservoirs of organic matter such as chlorophyll alpha (Chl) and particulate organic carbon (POC) concentrations, which are of relevance to the JGOFS objectives. We carried out detailed studies of in situ and water sample optical properties including spectral reflectance, absorption, beam attenuation, scattering, and backscattering coefficients. We evaluated the ability to estimate Chl from the spectral reflectance (ocean color) in the Southern Ocean. We examined relationships between the ocean optical properties and particulate organic carbon. We developed, for the first time, an algorithm for estimating particulate organic carbon concentration in the surface ocean from satellite imagery of ocean color. With this algorithm, we obtained maps of POC distribution in the Southern Ocean showing the seasonal progression of POC in the austral spring-summer season. We also developed a semianalytical reflectance model for the investigated polar waters based on our field measurements of absorption and backscattering coefficients and Chl-dependent parameterizations of these coefficients. With this model, libraries of expected reflectance spectra for various chlorophyll concentrations can be generated with high spectral resolution for specific oceanic regions. In addition, our semianalytical reflectance model provided insight into the mechanisms which drive the empirical relationships between the ocean color and chlorophyll concentration. Our optical approach to the study of pigment and carbon concentrations will be directly relevant to development of system models and long-term monitoring of the Southern Ocean.
Copper/aminoxyl species are proposed as key intermediates in aerobic alcohol oxidation. Several possible electronic structural descriptions of these species are possible, and here we probe this issue by examining four crystallographically characterized Cu/aminoxyl halide complexes by Cu K-edge, Cu L 2,3 - edge, and Cl K-edge X-ray absorption spectroscopy. The mixing coefficients between Cu, aminoxyl, and halide orbitals are determined via these techniques with support from density functional theory. The emergent electronic structure picture reveals that Cu coordination confers appreciable oxoammonium character to the aminoxyl ligand. The computational methodology is extended to one of the putative intermediates invoked in catalytic Cu/aminoxyl-driven alcohol oxidation reactions, with similar findings. On the whole, the results have important implications for the mechanism of alcohol oxidation and the underlying basis for cooperativity in this co- catalyst system.
DL_POLY Quantum 2.0, a vastly expanded software based on DL_POLY Classic 1.10, is a highly parallelized computational suite written in FORTRAN77 with a modular structure for incorporating nuclear quantum effects into large-scale/long-time molecular dynamics simulations. This is achieved by presenting users with a wide selection of state-of-the-art dynamics methods that utilize the isomorphism between a classical ring polymer and Feynman’s path integral formalism of quantum mechanics. Here, the flexible and user-friendly input/output handling system allows the control of methodology, integration schemes, and thermostatting. DL_POLY Quantum is equipped with a module specifically assigned for calculating correlation functions and printing out the values for sought-after quantities, such as dipole moments and center-of-mass velocities, with packaged tools for calculating infrared absorption spectra and diffusion coefficients.
We report a comparative experimental study of laseroxygen cutting of low-carbon steel using a fibre laser with a wavelength of 1.07 μm and a CO{sub 2} laser with a wavelength of 10.6 μm at the sheet thickness of 3 – 16 mm. For the two lasers we have measured the dependence of the cutting speed on the radiation power and determined the cutting speed at which the surface roughness is minimal. The coefficient of laser radiation absorption in the laser cutting process is measured for these lasers at different values of the cutting speed and radiation power. It is found that the minimal roughness of the cut surface is reached at the absorbed laser energy per unit volume of the removed material, equal to 11 – 13 J mm{sup -3}; this value is the same for the two lasers and does not depend on the sheet thickness. (laser technologies)
An extension of the X-ray extended-range technique is described for measuring X-ray mass attenuation coefficients by introducing absolute measurement of a number of foils - the multiple independent foil technique. Illustrating the technique with the results of measurements for gold in the 38-50 keV energy range, it is shown that its use enables selection of the most uniform and well defined of available foils, leading to more accurate measurements; it allows one to test the consistency of independently measured absolute values of the mass attenuation coefficient with those obtained by the thickness transfer method; and it tests the linearity of the response of the counter and counting chain throughout the range of X-ray intensities encountered in a given experiment. In light of the results for gold, the strategy to be ideally employed in measuring absolute X-ray mass attenuation coefficients, X-ray absorption fine structure and related quantities is discussed.
The interaction of 1.07-μm laser radiation with plasma of a continuous optical discharge (COD) in xenon and argon at a pressure of p = 3–25 bar and temperature of T = 15 kK has been studied. The threshold power required to sustain COD is found to decrease with increasing gas pressure to P{sub t} < 30 W in xenon at p > 20 bar and to P{sub t} < 350 W in argon at p > 15 bar. This effect is explained by an increase in the coefficient of laser radiation absorption to 20−25 cm{sup –1} in Xe and 1−2 cm{sup –1} in Ar due to electronic transitions between the broadened excited atomic levels. The COD characteristics also depend on the laser beam refraction in plasma. This effect can be partially compensated by a tighter focusing of the laser beam. COD is applied as a broadband light source with a high spectral brightness.
Aerosols containing black carbon (and some specific types of organic particulate matter) directly absorb incoming light, heating the atmosphere. In addition, all aerosol particles backscatter solar light, leading to a net-cooling effect. Indirect effects involve hydrophilic aerosols, which serve as cloud condensation nuclei (CCN) that affect cloud cover and cloud stability, impacting both atmospheric radiation balance and precipitation patterns. At night, all clouds produce local warming, but overall clouds exert a net-cooling effect on the Earth. The effect of aerosol radiative forcing on climate may be as large as that of the greenhouse gases, but predominantly opposite in sign and much more uncertain. The uncertainties in the representation of aerosol interactions in climate models makes it problematic to use model projections to guide energy policy. The objective of our program is to reduce the uncertainties in the aerosol radiative forcing in the two areas highlighted in the ASR Science and Program Plan. That is, (1) addressing the direct effect by correlating particle chemistry and morphology with particle optical properties (i.e. absorption, scattering, extinction), and (2) addressing the indirect effect by correlating particle hygroscopicity and CCN activity with particle size, chemistry, and morphology. In this connection we are systematically studying particle formation, oxidation, and the effects of particle coating. The work is specifically focused on carbonaceous particles where the uncertainties in the climate relevant properties are the highest. The ongoing work consists of laboratory experiments and related instrument inter-comparison studies both coordinated with field and modeling studies, with the aim of providing reliable data to represent aerosol processes in climate models. The work is performed in the aerosol laboratory at Boston College. At the center of our laboratory setup are two main sources for the production of aerosol particles: (a) two well-characterized source of soot particles and (b) a flow reactor for controlled OH and/or O3 oxidation of relevant gas phase species to produce well-characterized SOA particles. After formation, the aerosol particles are subjected to physical and chemical processes that simulate aerosol growth and aging. A suite of instruments in our laboratory is used to characterize the physical and chemical properties of aerosol particles before and after processing. The Time of Flight Aerosol Mass Spectrometer (ToF-AMS) together with a Scanning Mobility Particle Sizer (SMPS) measures particle mass, volume, density, composition (including black carbon content), dynamic shape factor, and fractal dimension. The–ToF-AMS was developed at ARI with Boston College participation. About 120 AMS instruments are now in service (including 5 built for DOE laboratories) performing field and laboratory studies world-wide. Other major instruments include a thermal denuder, two Differential Mobility Analyzers (DMA), a Cloud Condensation Nuclei Counter (CCN), a Thermal desorption Aerosol GC/MS (TAG) and the new Soot Particle Aerosol Mass Spectrometer (SP-AMS). Optical instrumentation required for the studies have been brought to our laboratory as part of ongoing and planned collaborative projects with colleagues from DOE, NOAA and university laboratories. Optical instruments that will be utilized include a Photoacoustic Spectrometer (PAS), a Cavity Ring Down Aerosol Extinction Spectrometer (CRD-AES), a Photo Thermal Interferometer (PTI), a new 7-wavelength Aethalometer and a Cavity Attenuated Phase Shift Extinction Monitor (CAPS). These instruments are providing aerosol absorption, extinction and scattering coefficients at a range of atmospherically relevant wavelengths. During the past two years our work has continued along the lines of our original proposal. We report on 12 completed and/or continuing projects conducted during the period 08/14 to 0814/2015. These projects are described in 17 manuscripts published in refereed journals.
Field observations show that individual aerosol particles are a complex mixture of a wide variety of species, reflecting different sources and physico-chemical transformations. The impacts of individual aerosol morphology and mixing characteristics on the Earth system are not yet fully understood. Here we present a sensitivity study on climate-relevant aerosols optical properties to various approximations. Based on aerosol samples collected in various geographical locations, we have observationally constrained size, morphology and mixing, and accordingly simulated, using the discrete dipole approximation model (DDSCAT), optical properties of three aerosols types: (1) bare black carbon (BC) aggregates, (2) bare mineral dust, and (3) an internal mixture of a BC aggregate laying on top of a mineral dust particle, also referred to as polluted dust. DDSCAT predicts optical properties and their spectral dependence consistently with observations for all the studied cases. Predicted values of mass absorption, scattering and extinction coefficients (MAC, MSC, MEC) for bare BC show a weak dependence on the BC aggregate size, while the asymmetry parameter ( g ) shows the opposite behavior. The simulated optical properties of bare mineral dust present a large variability depending on the modeled dust shape, confirming the limited range of applicability of spheroids over different types and size of mineral dust aerosols, in agreement with previous modeling studies. The polluted dust cases show a strong decrease in MAC values with the increase in dust particle size (for the same BC size) and an increase of the single scattering albedo (SSA). Furthermore, particles with a radius between 180 and 300 nm are characterized by a decrease in SSA values compared to bare dust, in agreement with field observations.This paper demonstrates that observationally constrained DDSCAT simulations allow one to better understand the variability of the measured aerosol optical properties in ambient air and to define benchmark biases due to different approximations in aerosol parametrization.
Multichannel photoionization chamber for measuring absorption, photoionization yield, and coefficients of gases
A computer-controlled tunable diode laser spectrometer and spectral analysis software are described. The three-channel system records simultaneously the transmission of a subject gas, a temperature-stabilized etalon, and a calibration gas. The software routines are applied to diode laser spectra of HNO3 and NO2 to illustrate the procedures adopted for conversion of raw spectral data to useful transmission and harmonic spectra. Extraction of line positions, absorption intensities, collisional broadening coefficients, and gas concentrations from recorded spectra is also described.
Charge-transfer-to-solvent (CTTS) bands are observed in the UV/VIS spectra of a series of ferrocene derivatives (ferrocene; 1,1’-dimethyl; 1,2,3,4,5-pentamethyl; 1,2,3,4,l’,2’,3’,4’-octamethyl; and decamethyl) by the addition of increasing amounts of CCl4 to ethanol solutions. A linear correlation (slope = 8540 per cm/V) was found between the redox potential and the energy of the CTTS band, consistent with electrochemical and photochemical oxidation by removal of an electron from the same molecular orbital. Inclusion of literature data for ruthenocene and [(η^(5)-C5H5)Fe(CO)]4 results in a line with a slope of 8140 per cm/V, within 1 percent of the wavenumber to electron volt conversion factor. Calculation of association constants (K) shows a slight decrease (1.2 to 0.7 per mole fraction) as the bulkiness of the cyclopentadienyl ring increases, consistent with either a steric or a repulsive electronic effect. The extinction coefficient of the CTTS absorption was constant at approximately 1700 per Mcm .
Historically, several grades of hot pressed hexagonal boron nitride have been used for space electric propulsion applications. This study investigates the material properties of a selection of commercially available boron nitride grades including HP, M26, M, BNXX, and Shapal Hi-M. This work complements data which was presented at JANNAF 2018. The grades selected for this study are of interest because their available billet size is sufficient for space electric propulsion. This research investigates a range of material properties, tailored and focused on enhancing performance, reliability, and economics of electric propulsion thrusters. This work builds upon previous efforts by studying lot-to-lot variability of some of the properties of interest. Coefficient of friction, moisture absorption, moisture sensitivity, hot press directionality, flexural strength, compression strength, elastic modulus, thermal conductivity, thermal emissivity, thermal expansion, density, X-ray diffraction phase, microstructure, and chemical composition were all investigated across two lots of materials to help guide the selection of advanced ceramics. Variability between lots is the critical concern of the study.
Systems and methods for radiative cooling and heating are provided. For example, systems for radiative cooling can include a top layer including one or more polymers, where the top layer has high emissivity in at least a portion of the thermal spectrum and an electromagnetic extinction coefficient of approximately zero, absorptivity of approximately zero, and high transmittance in at least a portion of the solar spectrum, and further include a reflective layer including one or more metals, where the reflective layer has high reflectivity in at least a portion of the solar spectrum.
Systems and methods for radiative cooling and heating are provided. For example, systems for radiative cooling can include a top layer including one or more polymers, where the top layer has high emissivity in at least a portion of the thermal spectrum and an electromagnetic extinction coefficient of approximately zero, absorptivity of approximately zero, and high transmittance in at least a portion of the solar spectrum, and further include a reflective layer including one or more metals, where the reflective layer has high reflectivity in at least a portion of the solar spectrum.
Systems and methods for radiative cooling and heating are provided. For example, systems for radiative cooling can include a top layer including one or more polymers, where the top layer has high emissivity in at least a portion of the thermal spectrum and an electromagnetic extinction coefficient of approximately zero, absorptivity of approximately zero, and high transmittance in at least a portion of the solar spectrum, and further include a reflective layer including one or more metals, where the reflective layer has high reflectivity in at least a portion of the solar spectrum.