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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Physically realistic, parametric model for excitonic critical point parabolic band oscillators

Critical point parabolic band (CPPB) oscillators are often useful to model the optical response of semiconductor materials, such as hybrid organic–inorganic lead halide-based perovskites, to incident photons in the form of the complex dielectric function (ε=ε1+iε2) spectra. Some models of ε using CPPB oscillators are not guaranteed Kramers–Kronig (KK) consistent (and therefore not physically realistic), may have excess or arbitrary parameter values, or may require prohibitively long computational time when used to fit ellipsometric spectra. For excitonic CPPBs, commonly used to describe the optical response of hybrid organic–inorganic lead halide-based perovskite materials, a physically realistic, parametric model of ε is developed from the KK relationship between ε1 and ε2 for a number of CPPB oscillators with an Urbach tail below the lowest direct transition. This parametric model is shown to produce the same line shape reported from previous works accurately and more quickly than other available KK-consistent CPPB models.

Physics↗
DOE OSTI2014

Optoacoustic Microscopy for Investigation of Material Nanostructures-Embracing the Ultrasmall, Ultrafast, and the Invisible

The goal of this grant was the development of a new type of scanning acoustic microscope for nanometer resolution ultrasound imaging, based on ultrafast optoacoustics (>GHz). In the microscope, subpicosecond laser pulses was used to generate and detect very high frequency ultrasound with nanometer wavelengths. We report here on the outcome of the 3-year DOE/BES grant which involved the design, multifaceted construction, and proof-of-concept demonstration of an instrument that can be used for quantitative imaging of nanoscale material features – including features that may be buried so as to be inaccessible to conventional lightwave or electron microscopies. The research program has produced a prototype scanning optoacoustic microscope which, in combination with advanced computational modeling, is a system-level new technology (two patents issues) which offer novel means for precision metrology of material nanostructures, particularly those that are of contemporary interest to the frontline micro- and optoelectronics device industry. For accomplishing the ambitious technical goals, the research roadmap was designed and implemented in two phases. In Phase I, we constructed a “non-focusing” optoacoustic microscope instrument (“POAM”), with nanometer vertical (z-) resolution, while limited to approximately 10 micrometer scale lateral recolution. The Phase I version of the instrument which was guided by extensive acoustic and optical numerical modeling of the basic underlying acoustic and optical physics, featured nanometer scale close loop positioning between the optoacoustic transducer element and a nanostructured material sample under investigation. In phase II, we implemented and demonstrated a scanning version of the instrument (“SOAM”) where incident acoustic energy is focused, and scanned on lateral (x-y) spatial scale in the 100 nm range as per the goals of the project. In so doing we developed advanced numerical simulations to provide computational models of the focusing of multi-GHz acoustic waves to the nanometer scale and innovated a series fabrication approaches for a new type of broadband high-frequency acoustic focusing microscope objective by applying methods on nanoimprinting and focused-ion beam techniques. In the following, the Phase I and Phase II instrument development is reported as Section II. The first segment of this section describes the POAM instrument and its development, while including much of the underlying ultrafast acoustic physics which is common to all of our work for this grant. Then, the science and engineering of the SOAM instrument is described, including the methods of fabricating new types of acoustic microlenses. The results section is followed by reports on publications (Section III), Participants (Section IV), and statement of full use of the allocated grant funds (Section V).

36 MATERIALS SCIENCE↗
DOE OSTI2018

A photoemission moments model using density functional and transfer matrix methods applied to coating layers on surfaces: Theory

Recent experimental measurements of a bulk material covered with a small number of graphene layers reported by Yamaguchi et al. [NPJ 2D Mater. Appl. 1, 12 (2017)] (on bialkali) and Liu et al.[Appl. Phys. Lett. 110, 041607 (2017)] (on copper) and the needs of emission models in beam optics codes have lead to substantial changes in a Moments model of photoemission. The changes account for (i) a barrier profile and density of states factor based on density functional theory (DFT) evaluations, (ii) a Drude-Lorentz model of the optical constants and laser penetration depth, and (iii) a transmission probability evaluated by an Airy Transfer Matrix Approach. Importantly, the DFT results lead to a surface barrier profile of a shape similar to both resonant barriers and reflectionless wells: the associated quantum mechanical transmission probabilities are shown to be comparable to those recently required to enable the Moments (and Three Step) model to match experimental data but for reasons very different than the assumption by conventional wisdom that a barrier is responsible. The substantial modifications of the Moments model components, motivated by computational materials methods, are developed. The results prepare the Moments model for use in treating heterostructures and discrete energy level systems (e.g., quantum dots) proposed for decoupling the opposing metrics of performance that undermine the performance of advanced light sources like the x-ray Free Electron Laser. The consequences of the modified components on quan-tum yield, emittance, and emission models needed by beam optics codes are discussed. Published by AIP Publishing. https://doi.org/10.1063/1.5008600

36 MATERIALS SCIENCE↗
DOE OSTI2017

Extinction and the Dimming of KIC 8462852

To test alternative hypotheses for the behavior of KIC 8462852, we obtained measurements of the star over a wide wavelength range from the UV to the mid-infrared from 2015 October through 2016 December, using Swift, Spitzer and AstroLAB IRIS. The star faded in a manner similar to the long-term fading seen in Kepler data about 1400 days previously. The dimming rate for the entire period reported is 22.1 ± 9.7 mmag yr{sup −1} in the Swift wavebands, with amounts of 21.0 ± 4.5 mmag in the ground-based B measurements, 14.0 ± 4.5 mmag in V, and 13.0 ± 4.5 in R, and a rate of 5.0 ± 1.2 mmag yr{sup −1} averaged over the two warm Spitzer bands. Although the dimming is small, it is seen at ≳3σ by three different observatories operating from the UV to the IR. The presence of long-term secular dimming means that previous spectral energy distribution models of the star based on photometric measurements taken years apart may not be accurate. We find that stellar models with T{sub eff}=7000--7100 K and A{sub V}∼0.73 best fit the Swift data from UV to optical. These models also show no excess in the near-simultaneous Spitzer photometry at 3.6 and 4.5 μm, although a longer wavelength excess from a substantial debris disk is still possible (e.g., as around Fomalhaut). The wavelength dependence of the fading favors a relatively neutral color (i.e., R{sub V}≳5, but not flat across all the bands) compared with the extinction law for the general interstellar medium (R{sub V}=3.1), suggesting that the dimming arises from circumstellar material.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1982

General contamination criteria for optical surfaces

Physical models are developed for establishing criteria to decide on the acceptable contamination level of optical devices in space-borne conditions. Optical systems can be degraded in terms of decreased throughput, i.e., transmissivity or reflectivity, or increases in the total integrated scatter (TIS). Performance losses can be caused by particulate accretion, molecular film accretion, and impact cratering. A quantitative relationship is defined for film thickness and loss of throughput. Formulas are also developed for cases where induced surface defects are larger than the desired viewing wavelengths, or smaller or of the same order of the observed wavelengths. The techniques are used to quantify the degradation of a VUV solar coronagraph, a VUV stellar telescope, and a solar cell due to TIS. Applications are projected for estimating the contamination sensitivity of specific instruments, assessing the contamination hazard from known particulates, or to define clean room standards.

Bremer, J. C.↗
NASA NTRS2001

Multiple-Path-Length Optical Absorbance Cell

An optical absorbance cell that offers a selection of multiple optical path lengths has been developed as part of a portable spectrometric instrument that measures absorption spectra of small samples of water and that costs less than does a conventional, non-portable laboratory spectrometer. The instrument is intended, more specifically, for use in studying colored dissolved organic matter (CDOM) in seawater, especially in coastal regions. Accurate characterization of CDOM is necessary for building bio-optical mathematical models of seawater. The multiple path lengths of the absorption cell afford a wide range of sensitivity needed for measuring the optical absorbances associated with the wide range of concentrations of CDOM observed in nature. The instrument operates in the wavelength range of 370 to 725 nm. The major subsystems of the instrument (see figure) include a color-balanced light source; the absorption cell; a peristaltic pump; a high-precision, low-noise fiber optic spectrometer; and a laptop or other personal computer. A fiber-optic cable transmits light from the source to the absorption cell. Other optical fibers transmit light from the absorption cell to the spectrometer,

Source record↗
NASA NTRS1999

Target Recognition Using Neural Networks for Model Deformation Measurements

Optical measurements provide a non-invasive method for measuring deformation of wind tunnel models. Model deformation systems use targets mounted or painted on the surface of the model to identify known positions, and photogrammetric methods are used to calculate 3-D positions of the targets on the model from digital 2-D images. Under ideal conditions, the reflective targets are placed against a dark background and provide high-contrast images, aiding in target recognition. However, glints of light reflecting from the model surface, or reduced contrast caused by light source or model smoothness constraints, can compromise accurate target determination using current algorithmic methods. This paper describes a technique using a neural network and image processing technologies which increases the reliability of target recognition systems. Unlike algorithmic methods, the neural network can be trained to identify the characteristic patterns that distinguish targets from other objects of similar size and appearance and can adapt to changes in lighting and environmental conditions.

Ross, Richard W.↗
DOE OSTI2018

Modeling Discrete Forest Anisotropic Reflectance Over a Sloped Surface With an Extended GOMS and SAIL Model

Topographic effects on canopy reflectance play a pivotal role in the retrieval of surface biophysical variables over rugged terrain. In this paper, we proposed a new canopy anisotropic reflectance model for discrete forests, Geometric Optical and Mutual Shadowing and Scattering-from-Arbitrarily-Inclined-Leaves model coupled with Topography (GOSAILT), which considers the effects of slope, aspect, geotropic nature of tree growth, multiple scattering, and diffuse skylight. GOSAILT-simulated areal proportions of four scene components (i.e., sunlit crown, shaded crown, sunlit background, and shaded background) were evaluated using the Geometric Optical model for Sloping Terrains (GOST) model. The canopy reflectances simulated by GOSAILT were validated against two reflectance data sets: Discrete anisotropic radiative transfer (DART) simulations and wide-angle infrared dual-model line/area array scanner (WIDAS) observations. Compared with a horizontal surface, the forest canopy reflectance over a steep slope (60°) is significantly distorted with absolute (relative) bias values of 0.048 (79.60%) and 0.056 (12.02%) for the red and near-infrared (NIR) bands, respectively. The GOSAILT-simulated component areal proportions show close agreements with GOST. Moreover, GOSAILT simulations have high overall accuracy (red band: coefficient of determination (R²) = 0.96; root-mean-square error (RMSE) = 0.003; and mean absolute percentage error (MAPE) = 3.91%; and NIR band: R² = 0.78, RMSE = 0.019; MAPE = 3.94%) when compared with the DART simulations. In conclusion, these extensive validations indicate good performances of GOSAILT in canopy reflectance simulations over sloped surfaces.

58 GEOSCIENCES↗
NASA NTRS2016

Evaluating Model Parameterizations of Submicron Aerosol Scattering and Absorption with in situ Data from ARCTAS 2008

Accurate modeling of the scattering and absorption of ultraviolet and visible radiation by aerosols is essential for accurate simulations of atmospheric chemistry and climate. Closure studies using in situ measurements of aerosol scattering and absorption can be used to evaluate and improve models of aerosol optical properties without interference from model errors in aerosol emissions, transport, chemistry, or deposition rates. Here we evaluate the ability of four externally mixed, fixed size distribution parameterizations used in global models to simulate submicron aerosol scattering and absorption at three wavelengths using in situ data gathered during the 2008 Arctic Research of the Composition of the Troposphere from Aircraft and Satellites (ARCTAS) campaign. The four models are the NASA Global Modeling Initiative (GMI) Combo model, GEOS-Chem v9- 02, the baseline configuration of a version of GEOS-Chem with online radiative transfer calculations (called GC-RT), and the Optical Properties of Aerosol and Clouds (OPAC v3.1) package. We also use the ARCTAS data to perform the first evaluation of the ability of the Aerosol Simulation Program (ASP v2.1) to simulate submicron aerosol scattering and absorption when in situ data on the aerosol size distribution are used, and examine the impact of different mixing rules for black carbon (BC) on the results. We find that the GMI model tends to overestimate submicron scattering and absorption at shorter wavelengths by 10-23 percent, and that GMI has smaller absolute mean biases for submicron absorption than OPAC v3.1, GEOS-Chem v9-02, or GC-RT. However, the changes to the density and refractive index of BC in GCRT improve the simulation of submicron aerosol absorption at all wavelengths relative to GEOS-Chem v9-02. Adding a variable size distribution, as in ASP v2.1, improves model performance for scattering but not for absorption, likely due to the assumption in ASP v2.1 that BC is present at a constant mass fraction throughout the aerosol size distribution. Using a core-shell mixing rule in ASP overestimates aerosol absorption, especially for the fresh biomass burning aerosol measured in ARCTAS-B, suggesting the need for modeling the time-varying mixing states of aerosols in future versions of ASP.

Alvarado, Matthew J.↗
NASA NTRS2003

Entrainment and Optical Properties of an Elevated Forest Fire Plume Transported into the Planetary Boundary Layer near Washington, D.C.

Smoke and pollutants from Canadian forest fires were transported over the northeastern United States in July 2002. Lidar observations at the NASA Goddard Space Flight Center show the smoke from these fires arriving in an elevated plume that was subsequently transported to the surface. Trajectory and three-dimensional model calculations confirm the origin of the smoke and show that it mixed to the surface after it was intercepted by the turbulent planetary boundary layer. Modeled smoke optical properties agreed well with aircraft and remote sensing observations provided coagulation of smoke particles was accounted for in the model. Our results have important implications for the long-range transport of pollutants and their subsequent entrainment to the surface, as well as the evolving optical properties of smoke from boreal forest fires.

Colarco, P. R.↗
NASA NTRS2003

Entrainment and Optical Properties of an Elevated Canadian Forest Fire Plume Transported into the Planetary Boundary Layer near Washington, D.C.

Smoke and pollutants from Canadian forest fires were transported over the northeastern United States in July 2002. Lidar observations at the NASA Goddard Space Flight Center show the smoke from these fires arriving in an elevated plume that was subsequently mixed to the surface. Trajectory and three-dimensional model calculations confirm the origin of the smoke and show that it mixed to the surface after it was intercepted by the turbulent planetary boundary layer. Modeled smoke optical properties agreed well with aircraft and remote sensing observations provided coagulation of smoke particles was accounted for in the model. Our results have important implications for the long-range transport of pollutants and their subsequent entrainment to the surface, as well as the evolving optical properties of smoke from boreal forest fires.

Colarco, P. R.↗
NASA NTRS2015

An Overview of WFIRST-AFTA Coronagraph Modelling

The WFIRST/AFTA 2.4 m space telescope currently under study includes a stellar coronagraph for the imaging and spectral characterization of extrasolar planets. Based largely on performance predictions from end-to-end optical propagation modeling, promising coronagraphic methods were selected in late 2013 for further consideration for use on AFTA. Since those downselect analyses further modeling work has been done on evaluating refined coronagraph designs, wavefront sensing and control, detector representation, and time-dependent effects. Thermal, structural, ray trace, and diffraction propagation models are used in these studies. Presented here is the progress to date and plans for future analyses.

Krist, John↗
DOE OSTI2011

Nuclear ingredients for cross section calculation of exotic nuclei

The increasing need for cross sections far from the valley of stability, especially for applications such as nuclear astrophysics, poses a challenge for nuclear reaction models. So far, predictions of cross sections have relied on more or less phenomenological approaches, depending on parameters adjusted to available experimental data or deduced from systematic relations. While such predictions are expected to be reliable for nuclei not too far from the experimentally known regions, it is clearly preferable to use more fundamental approaches, based on sound physical bases, when dealing with very exotic nuclei. Thanks to the high computer power available today, all major ingredients required to model a nuclear reaction can now be (and have been) microscopically (or semi-microscopically) determined starting from the information provided by a nucleon-nucleon effective interaction. We have implemented all these microscopic ingredients in the latest version of the TALYS nuclear reaction code, and we are now able to perform fully microscopic cross section calculations.We will discuss both the quality of these ingredients and the impact of using them instead of the usually adopted phenomenological parameters. We will also discuss the foreseen evolutions of the models and of the ingredients on which they rely.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Investigation of the optical properties of MoS{sub 2} thin films using spectroscopic ellipsometry

Spectroscopic ellipsometry (SE) characterization of layered transition metal dichalcogenide (TMD) thin films grown by vapor phase sulfurization is reported. By developing an optical dispersion model, the extinction coefficient and refractive index, as well as the thickness of molybdenum disulfide (MoS{sub 2}) films, were extracted. In addition, the optical band gap was obtained from SE and showed a clear dependence on the MoS{sub 2} film thickness, with thinner films having a larger band gap energy. These results are consistent with theory and observations made on MoS{sub 2} flakes prepared by exfoliation, showing the viability of vapor phase derived TMDs for optical applications.

36 MATERIALS SCIENCE↗
NASA NTRS1994

Investigations into mirror fabrication metrology analysis

This final report describes the work performed under this delivery order from June 1993 through August 1994. The scope of work included three distinct tasks in support of the AXAF-I program. The objective of the first task was to perform investigations of the grinding and polishing characteristics of the zerodur material by fabricating several samples. The second task was to continue the development of the integrated optical performance modeling software for AXAF-I. The purpose of third and final task was to develop and update the database of AXAF technical documents for an easy and rapid access. The MSFC optical and metrology shops were relocated from the B-wing of Building 4487 to Room BC 144 of Building 4466 in the beginning of this contract. This included dismantling, packing, and moving the equipment from its old location, and then reassembling it at the new location. A total of 65 zerodur samples, measuring 1 inch x 2 inches x 6 inches were ground and polished to a surface figure of lambda/10 p-v, and a surface finish of 5A rms were fabricated for coating tests. A number of special purpose tools and metal mirrors were also fabricated to support various AXAF-I development activities. In the metrology area, the ZYGO Mark 4 interferometer was relocated and also upgraded with a faster and more powerful processor. Surface metrology work was also performed on the coating samples and other optics using ZYGO interferometer and WYKO profilometer. A number of new features have been added to the GRAZTRACE program to enhance its analysis and modeling capabilities. A number of new commands have been added to the command mode GRAZTRACE program to provide a better control to the user on the program execution and data manipulation. Some commands and parameter entries have been reorganized for a uniform format. The command mode version of the convolution program CONVOLVE has been developed. An on-line help system and a user's manual have also been developed for the benefit of the users. The database of AXAF technical documents continues to progress. The titles, company name, date, and location of over 390 documents have been entered in this database. This database provides both a data search and retrieval function, and a data adding function. These functions allow a user to quickly search the data files for documents or add new information. A detailed user's guide has also been prepared. This user guide includes a document classification guide, a list of abbreviations, and a list of acronyms, which have been used in compiling this database of AXAF-I technical documents.

Dimmock, John O.↗
NASA NTRS2008

Sensitivity of Photolysis Frequencies and Key Tropospheric Oxidants in a Global Model to Cloud Vertical Distributions and Optical Properties

As a follow-up study to our recent assessment of the radiative effects of clouds on tropospheric chemistry, this paper presents an analysis of the sensitivity of such effects to cloud vertical distributions and optical properties in a global 3-D chemical transport model (GEOS4-Chem CTM). GEOS-Chem was driven with a series of meteorological archives (GEOS1-STRAT, GEOS-3 and GEOS-4) generated by the NASA Goddard Earth Observing System data assimilation system, which have significantly different cloud optical depths (CODs) and vertical distributions. Clouds in GEOS1-STRAT and GEOS-3 have more similar vertical distributions while those in GEOS-4 are optically much thinner in the tropical upper troposphere. We find that the radiative impact of clouds on global photolysis frequencies and hydroxyl radical (OH) is more sensitive to the vertical distribution of clouds than to the magnitude of column CODs. Model simulations with each of the three cloud distributions all show that the change in the global burden of O3 due to clouds is less than 5%. Model perturbation experiments with GEOS-3, where the magnitude of 3-D CODs are progressively varied by -100% to 100%, predict only modest changes (<5%) in global mean OH concentrations. J(O1D), J(NO2) and OH concentrations show the strongest sensitivity for small CODs and become insensitive at large CODs due to saturation effects. Caution should be exercised not to use in photochemical models a value for cloud single scattering albedo lower than about 0.999 in order to be consistent with the current knowledge of cloud absorption at the UV wavelength. Our results have important implications for model intercomparisons and climate feedback on tropospheric photochemistry.

Liu, Hongyu↗
DOE OSTI2011

EMISSION LINES FROM THE GAS DISK AROUND TW HYDRA AND THE ORIGIN OF THE INNER HOLE

We compare line emission calculated from theoretical disk models with optical to submillimeter wavelength observational data of the gas disk surrounding TW Hya and infer the spatial distribution of mass in the gas disk. The model disk that best matches observations has a gas mass ranging from {approx}10{sup -4} to 10{sup -5} M{sub sun} for 0.06 AU < r < 3.5 AU and {approx}0.06 M{sub sun} for 3.5 AU < r < 200 AU. We find that the inner dust hole (r < 3.5 AU) in the disk must be depleted of gas by {approx}1-2 orders of magnitude compared with the extrapolated surface density distribution of the outer disk. Grain growth alone is therefore not a viable explanation for the dust hole. CO vibrational emission arises within r {approx} 0.5 AU from thermal excitation of gas. [O I] 6300 A and 5577 A forbidden lines and OH mid-infrared emission are mainly due to prompt emission following UV photodissociation of OH and water at r {approx}< 0.1 AU and at r {approx} 4 AU. [Ne II] emission is consistent with an origin in X-ray heated neutral gas at r {approx}< 10 AU, and may not require the presence of a significant extreme-ultraviolet (h{nu} > 13.6 eV) flux from TW Hya. H{sub 2} pure rotational line emission comes primarily from r {approx} 1 to 30 AU. [O I] 63 {mu}m, HCO{sup +}, and CO pure rotational lines all arise from the outer disk at r {approx} 30-120 AU. We discuss planet formation and photoevaporation as causes for the decrease in surface density of gas and dust inside 4 AU. If a planet is present, our results suggest a planet mass {approx}4-7 M{sub J} situated at {approx}3 AU. Using our photoevaporation models and the best surface density profile match to observations, we estimate a current photoevaporative mass loss rate of 4 x 10{sup -9} M{sub sun} yr{sup -1} and a remaining disk lifetime of {approx}5 million years.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Electronic and Geometric effects on Photochemistry of Molecules in Well-Defined Environments

Assemblies of molecular switches at surfaces are of great interest for applications in solar energy conversion, optoelectronic and optomechanical devices. Experimental studies have demonstrated that it is possible to optically probe photoactive molecules in well-defined nanoscale environments. To understand these systems, we have developed a polarizable frozen-density embedding (FDEpol) to model the optical properties of molecules adsorbed on metal clusters. We have demonstrated that the FDEpol method can describe the ground state and linear response properties of strongly coupled systems with results that are in good agreement with exact projection based embedding method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗