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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 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Modeling the Conformer-Dependent Electronic Absorption Spectra and Photolysis Rates of Methyl Vinyl Ketone Oxide and Methacrolein Oxide

Criegee intermediates are important atmospheric oxidants, formed via the reaction of ozone with volatile alkenes emitted into the troposphere. Small Criegee intermediates (e.g., CH 2 OO and CH 3 CHOO) are highly reactive, and their removal via unimolecular decay or bimolecular chemistry dominates their atmospheric lifetimes. As the molecular complexity of Criegee intermediates increases, their electronic absorption spectra show a bathochromic shift within the solar spectrum relevant to the troposphere. In such cases, solar photolysis may become a competitive contributor to their atmospheric removal. In this article, we report the conformer-dependent simulated electronic absorption spectra of two four-carbon-centered Criegee intermediates, methyl vinyl ketone oxide (MVK-oxide) and methacrolein oxide (MACR-oxide). Both MVK-oxide and MACR-oxide contain four low-energy conformers, which are convoluted in the experimentally measured spectra. Here, we deconvolute each conformer and estimate contributions from each of the four conformers to the experimentally measured spectra. We also estimate the photolysis rates and predict that solar photolysis should be a more competitive removal process for MVK-oxide and MACR-oxide (cf. CH 2 OO and CH 3 CHOO).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Atomistically resolved hot exciton relaxation dynamics in CdSe quantum dots: Experiment and theory

Semiconductor quantum dots (QDs) are well known to give rise to a quantum confined structure of excitons. Because of this quantum confinement, new physics of hot exciton relaxation dynamics arises. Decades of work using transient absorption (TA) spectroscopy have yielded initial simple observations, such as estimates of the cooling rate from single pump photon energy experiments. More detailed TA experiments employed variable pump photon energies to measure excitonic state-resolved transition rates. These TA measurements, usually the simplest form, have been employed to characterize QDs and their relaxation dynamics to this day. Yet, these TA measurements are fundamentally lacking in their ability to measure energy-resolved hot exciton cooling, which requires observation of the full cooling history through the real excitonic manifold. Here, we employ coherent multi-dimensional spectroscopy (CMDS) to perform an atomistically directed study of hot exciton cooling in CdSe QDs, revealing energy resolved relaxation dynamics. CMDS experiments are compared with simulations and prior TA measurements and simpler theories. Our findings reveal a hot exciton relaxation dynamics landscape. This relaxation dynamics landscape is a linear or sub-linear function of excess energy for different structures of QDs, with a strong size dependence. Our model simulations parameterized by the empirical pseudopotential model reproduces the experimental functional form and the dependence upon QD diameter and shell.

Atomistic simulations↗
NASA NTRS1976

A numerical study of the radiative-dynamic interaction in the stratosphere by a time-dependent zonal mean circulation model

The response of a zonal mean circulation model was compared to different heating functions used to simulate the interannual climate cycle. Two heating functions were used: A simple Newtonian heating function and a sophisticated heating function (Ramanathan, 1976). The emphasis was on the coupling between radiative transfer and the circulation in the stratosphere. The model was formulated in terms of primitive equations with 10 deg latitudinal resolution and 18 levels in pressure. Eddy transport of heat in the stratosphere was treated by the Reed and German (1965) formulation, while Stone's (1973) formulation is used in the troposphere. Momentum eddy fluxes are specified by climate statistics after Harwood and Pyle (1975). The model dynamics resulting from the two runs are compared to demonstrate the benefits of using detailed heating functions.

Turner, R. E.↗
NASA NTRS1985

Electrons, muons and hadrons in extensive air showers and how do they depend on nuclear interaction model, part 2

Some of the results of Monte Carlo simulations of extensive air showers for nuclear interactions models are presented. The most significant part of scaling violation effect is generated by the inclusion of rising cross-section. Among the models considered the lowest value for Eo/N(max) is obtained when rapidly rising cross-section and charge exchange are both included (model R-F01). The value is still 1.38 GeV/electron. Except at the highest energies, the sensitivity to atomic mass of the primary is greater than to specific assumptions about multiple production.

Wrotniak, J. A.↗
NASA NTRS1992

Foundations for statistical-physical precipitation retrieval from passive microwave satellite measurements. I - Brightness-temperature properties of a time-dependent cloud-radiation model

The relationship between emerging microwave brightness temperatures (T(B)s) and vertically distributed mixtures of liquid and frozen hydrometeors was investigated, using a cloud-radiation model, in order to establish the framework for a hybrid statistical-physical rainfall retrieval algorithm. Although strong relationships were found between the T(B) values and various rain parameters, these correlations are misleading in that the T(B)s are largely controlled by fluctuations in the ice-particle mixing ratios, which in turn are highly correlated to fluctuations in liquid-particle mixing ratios. However, the empirically based T(B)-rain-rate (T(B)-RR) algorithms can still be used as tools for estimating precipitation if the hydrometeor profiles used for T(B)-RR algorithms are not specified in an ad hoc fashion.

Smith, Eric A.↗
NASA NTRS2017

Using Neural Networks to Improve the Performance of Radiative Transfer Modeling Used for Geometry Dependent Surface Lambertian-Equivalent Reflectivity Calculations

Surface Lambertian-equivalent reflectivity (LER) is important for trace gas retrievals in the direct calculation of cloud fractions and indirect calculation of the air mass factor. Current trace gas retrievals use climatological surface LER's. Surface properties that impact the bidirectional reflectance distribution function (BRDF) as well as varying satellite viewing geometry can be important for retrieval of trace gases. Geometry Dependent LER (GLER) captures these effects with its calculation of sun normalized radiances (I/F) and can be used in current LER algorithms (Vasilkov et al. 2016). Pixel by pixel radiative transfer calculations are computationally expensive for large datasets. Modern satellite missions such as the Tropospheric Monitoring Instrument (TROPOMI) produce very large datasets as they take measurements at much higher spatial and spectral resolutions. Look up table (LUT) interpolation improves the speed of radiative transfer calculations but complexity increases for non-linear functions. Neural networks perform fast calculations and can accurately predict both non-linear and linear functions with little effort.

Geometry Dependent LER (GLER) capture↗
NASA NTRS1991

Finite element modeling of truss structures with frequency-dependent material damping

A physically motivated modelling technique for structural dynamic analysis that accommodates frequency dependent material damping was developed. Key features of the technique are the introduction of augmenting thermodynamic fields (AFT) to interact with the usual mechanical displacement field, and the treatment of the resulting coupled governing equations using finite element analysis methods. The AFT method is fully compatible with current structural finite element analysis techniques. The method is demonstrated in the dynamic analysis of a 10-bay planar truss structure, a structure representative of those contemplated for use in future space systems.

Lesieutre, George A.↗
NASA NTRS2018

Regression Analysis and Calibration Recommendations for the Characterization of Balance Temperature Effects

Analysis and use of temperature-dependent wind tunnel strain-gage balance calibration data are discussed in the paper. First, three different methods are presented and compared that may be used to process temperature-dependent strain-gage balance data. The first method uses an extended set of independent variables in order to process the data and predict balance loads. The second method applies an extended load iteration equation during the analysis of balance calibration data. The third method uses temperature-dependent sensitivities for the data analysis. Physical interpretations of the most important temperature-dependent regression model terms are provided that relate temperature compensation imperfections and the temperature-dependent nature of the gage factor to sets of regression model terms. Finally, balance calibration recommendations are listed so that temperature-dependent calibration data can be obtained and successfully processed using the reviewed analysis methods.

wind tunnel test↗