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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 397 records · Page 22

Bio-Optical Properties of the Arabian Sea as Determined by In-Situ and SeaWifs Data

The overall objective of this work was to characterize optical and fluorescence properties in the euphotic zone during two British Ocean Flux Study (BOFS) Arabian Sea cruises. This was later expanded in 1995 to include three U.S. Joint Global Ocean Flux Study (JGOFS) Arabian Sea Cruises. The region was to be divided into one or more "bio-optical provinces", within each of which a single set of regression models was to be developed to relate the vertical distribution of irradiance attenuation and normalized fluorescence (SF and NF) to remote sensing reflectance and diffuse attenuation coefficient [K(490)]. The working hypothesis was that over relatively large spatial and temporal scales, the vertical profiles of bio-optical properties were predictable.

Trees, Charles C.↗

First-principles study of the defect-activity and optical properties of FAPbCl 3

With promising solar cell applications, organic–inorganic lead halide perovskites belong to a novel and rapidly developing class of semiconducting materials. Unlike its well-investigated iodide counterparts, formamidinium lead chloride (FAPbCl 3 ) is a much less studied perovskite that shows superior stability and surprisingly high selectivity and sensitivity towards certain gas analytes. The origin of the sensing ability of this perovskite material can be traced to its high defect tolerance and the existence of some defects which act as the “lock” to a certain gas analyte's “key”. In this work, we deepen the understanding of this proven perovskite sensor through first-principles computational study of its defect formation energies, charge transition energies, and optical properties. These studies are done with the widely used GGA exchange–correlation functional PBE and the newer meta-GGA functional SCAN, both incorporating the Grimme's D3 dispersion correction. Additionally, we also consider experimental conditions and the effect of temperature on electron screening in the simulations, which demonstrates that screening is particularly important when considering high oxidation states of the defects. We also note the importance of antisites in the Fermi Pinning as well as the importance of FA disorder, which are previously unreported insights.

36 MATERIALS SCIENCE↗

Effect of Ram and Zenith Exposure on the Optical Properties of Polymers in Space

The temperature of spacecraft is influenced by the solar absorptance and thermal emittance of the external spacecraft materials. Optical and thermal properties can degrade over time in the harsh low Earth orbital (LEO) space environment where spacecraft external materials are exposed to various forms of radiation, thermal cycling, and atomic oxygen. Therefore, it is important to test the durability of spacecraft materials in the space environment. One objective of the Polymers and Zenith Polymers Experiments was to determine the effect of LEO space exposure on the optical properties of various spacecraft polymers. These experiments were flown as part of the Materials International Space Station Experiment 7 (MISSE 7) mission on the exterior of the International Space Station (ISS) for 1.5 years. Samples were flown in ram, wake or zenith directions, receiving varying amounts of atomic oxygen and solar radiation exposure. Total and diffuse reflectance and transmittance of flight and corresponding control samples were obtained post-flight using a Cary 5000 UV-Vis-NIR Spectrophotometer. Integrated air mass zero solar absorptance (s) of the flight and control samples were computed from the total transmittance and reflectance, and compared. The optical data are compared with similar polymers exposed to space for four years as part of MISSE 2, and with atomic oxygen erosion data, to help understand the degradation of these polymers in the space environment. Results show that prolonged space exposure increases the solar absorptance of some materials. Knowing which polymers remain stable will benefit future spacecraft design.

Yuanchun Li↗

Synthesis, Crystal Structure, and Optical Properties of the Barium meta -Pertechnetate Ba[TcO 4 ] 2

High-quality single crystals of the colorless title compound Ba[ 99 TcO 4 ] 2 were prepared from radioactive, isotope-pure 99 TcO 2 by oxidation with H 2 O 2 in an aqueous ammonia solution and subsequent cation metathesis using an ion-exchange column. Single-crystal X-ray diffraction revealed Ba[TcO 4 ] 2 to crystallize isotopically to Ba[MnO 4 ] 2 in the orthorhombic space group Fddd with the lattice parameters a = 747.34(5) pm, b = 1244.08(7) pm, and c = 1511.23(9) pm for Z = 8. Its crystal structure features [BaO 12 ] 22- icosahedra surrounded by ten [TcO 4 ] - tetrahedra connected via two edges and eight corners. The optical properties of Ba[TcO 4 ] 2 investigated by UV-vis spectroscopy show the broad O 2- → Tc 7+ ligand-to-metal charge transfer (2p → 4d) process within these discrete [TcO 4 ]- anions at an absorption maximum of around 350 nm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Investigations on the electronic properties and effect of chitosan capping on the structural and optical properties of zinc aluminate quantum dots

Quantum confined uncapped and chitosan capped nanoparticles of ZnAl 2 O 4 synthesized by microwave-assisted sol–gel method were investigated by structural analysis and optical techniques. X-ray diffraction studies confirmed the formation of cubic spinels with crystallite size 4.5 nm and 3.4 nm, respectively for uncapped and chitosan capped ZnAl 2 O 4 nanoparticles. Chitosan capping produced a blue shift in bandgap energy (3.84 to 3.94 eV) agreeing with size effects according to the Brus equation. A blue shift in emission peak and enhancement in photoluminescence intensity was also observed upon chitosan capping. The electronic band structure and the density of states of the bulk spinel were also calculated using density functional theory. The effective masses of electrons and holes estimated based on the band structure were used to extract the excitonic Bohr radius.

36 MATERIALS SCIENCE↗

A Comparison of Cloud Microphysical and Optical Properties during TOGA-COARE

The impact of cirrus clouds on climate is an issue of research interest currently. Whether cirrus clouds heat or cool the Earth-atmosphere system depends on the cloud shortwave albedo and infrared reflectance and absorptance. These in turn are determined by the size distribution, phase, and composition of particles in the clouds. The TOGA-COARE campaign presented an excellent opportunity to study cirrus clouds and their influence on climate. In this campaign, a microphysics instrument package was flown aboard the DC-8 aircraft at medium altitudes in cirrus clouds. This package included a 2D Greyscale Cloud Particle Probe, a Forward Scattering Spectrometer Aerosol Probe, and an ice crystal replicator. At the same time the ER-2 equipped with a radiation measurement system flew coordinated flight tracks above the DC-8 at very high altitude. The radiation measurement made were short and long wave fluxes, as well as narrowband fluxes, both upwelling and downwelling. In addition LIDAR data is available. The existence of these data sets allows for a the comparison of radiation measurement with microphysical measurements. For example, the optical depth and effective radius retrieved from the ER-2 radiation measurements can be compared to the microphysical data. Conversely, the optical properties and fluxes produced by the clouds can be calculated from the microphysical measurements and compared to those measured aboard the ER-2. The assumptions required to make these comparisons are discussed. Typical microphysical results show a prevalence of micron-sized particles, in addition to the cloud particles that exceed 100 mm. The large number of small particles or "haze" cause the effective cloud radii to shift to smaller sizes, leading to changes in optical parameters.

Strawa, A. W.↗

Synthesis, vapor growth, polymerization, and characterization of thin films of novel diacetylene derivatives of pyrrole. The use of computer modeling to predict chemical and optical properties of these diacetylenes and poly(diacetylenes)

In the present work two diacetylene derivatives of pyrrole which are predicted by semiempirical AM1 calculations to have very different properties, are synthesized; the polymerizability of these diacetylenes in the solid state is determined, and the results are compared to the computer predictions. Diacetylene 1 is novel in that the monomer is a liquid at room temperature; this may allow for the possibility of polymerization in the liquid state as well as the solid state. Thin poly(diacetylene) films are obtained from compound 1 by growing films of the monomer using vapor deposition and polymerizing with UV light; these films are then characterized. Interestingly, while the poly(diacetylene) from 1 does not possess good nonlinear optical properties, the monomer exhibits very good third-order effects (phase conjugation) in solution. Dilute acetone solutions of the monomer 1 give intensity-dependent refractive indices on the order of 10 exp -6 esu; these are 10 exp 6 times better than for CS2.

Paley, M. S.↗

O 2 -Oxidation of Individual Graphite and Graphene Nanoparticles in the 1200 – 2200 K Range: Particle-to-Particle Variations and the Evolution of the Reaction Rates and Optical Properties

The kinetics for O 2 oxidation of individual graphite and graphene platelet nanoparticles (NPs) were studied as a function of temperature (1200 to 2200 K) at varying oxygen partial pressures, using a single nanoparticle mass spectrometry method. NP temperature (TNP) was measured by measuring the NP thermal emission spectra during the kinetics studies. The initial oxidation efficiency is found to peak in the 1200 to 1500 K range, dropping by an order of magnitude as TNP was increased above 2000 K. There were large NP-to-NP variations in the oxidation rates, attributed to variations in the NP surface structure. In addition, the oxidation efficiencies evolved, non-monotonically, as the NPs reacted, decreasing by factors of between 10 and 300. This evolution of reactivity is attributed to changes in the NP surface structure due to the combination of oxidation and annealing. In conclusion, the optical properties, including wavelength dependence of the emissivity and the absorption cross section for the 532 nm heating laser, also tended to evolve as the NPs oxidized, but differently for each individual NP, presumably reflecting differences in the initial structures and their evolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Surface Chemical Composition of Lunar Samples and Its Significance for Optical Properties

The surface iron, titanium, calcium, and silicon concentration in numerous lunar soil and rock samples was determined by Auger electron spectroscopy. All soil samples show a large increase in the iron to oxygen ratio compared with samples of pulverized rock or with results of the bulk chemical analysis. A solar wind simulation experiment using 2 keV energy alpha -particles showed that an ion dose corresponding to approximately 30,000 years of solar wind increased the iron concentration on the surface of the pulverized Apollo 14 rock sample 14310 to the concentration measured in the Apollo 14 soil sample 14163, and the albedo of the pulverized rock decreased from 0.36 to 0.07. The low albedo of the lunar soil is related to the iron + titanium concentration on its surface. A solar wind sputter reduction mechanism is discussed as a possible cause for both the surface chemical and optical properties of the soil.

Gold, T.↗

Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing

Designing strong interactions into $π$-conjugated materials can direct their typically uncontrolled molecular packing and is an important strategy toward tuning their technologically relevant properties in the solid state. In this paper we demonstrate unconventional control over solid-state fluorescence and mechanofluorochromism (MFC) through regiochemical substitutions in side chains of 12 three-ring phenylene ethynylenes (PEs) that employ fluoroarene–arene (ArF–ArH) interactions between tetrafluoro ArF pendants and PE main chains to direct crystal packing, with single-atom variations of the lone proton in ArF pendants between 4-hydro, 5-hydro, and 6-hydro substitution yielding in two cases dramatically different fluorescence and MFC behavior. X-ray crystal structures reveal key intermolecular interactions of ArF rings, including their lone protons, which vary as a function of substitution pattern and contribute to optical properties in solids. Rarely reported, particularly with such dramatic results, this systematic study on regiochemical effects over solid-state properties demonstrates the versatility of using discrete, directional interactions of side chains for noncovalent control in conjugated materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Expanding the Transuranic Metal–Organic Framework Portfolio: The Optical Properties of Americium(III) MOF-76

Reported here is the synthesis, crystal structure, and solid-state characterization of a new americium containing metal–organic framework (MOF), [Am(C 9 H 3 O 6 )(H 2 O)], MOF-76(Am). This material is constructed from Am 3+ metal centers and 1,3,5-tricarboxylic acid (BTC) ligands, forming a porous three-dimensional framework that is isostructural with several known trivalent lanthanide (Ln) analogs (e.g., Ce, Nd, and Sm–Lu). The Am 3+ ions have seven coordinates and assume a distorted, capped trigonal prismatic geometry with C1 symmetry. The Am 3+ –O bonds were studied via infrared spectroscopy and compared to several MOF-76(Ln) analogs, where Ln = Nd 3+ , Eu 3+ , Tb 3+ , and Ho 3+ . The results show that the strength of the ligand carboxylate stretching and bending modes increase with Nd 3+ < Eu 3+ < Am 3+ < Tb 3+ < Ho 3+ , suggesting the metal–oxygen bonds are predominantly ionic. Optical absorbance spectroscopy measurements reveal strong f–f transitions; some exhibit pronounced crystal field splitting. The photoluminescence spectrum contains weak Am 3+ -based emission that is achieved through direct and indirect metal center excitation. The weak emissive behavior is somewhat surprising given that ligand-to-metal resonance energy transfer is efficient in the isoelectronic Eu 3+ (4f 6 ) and related Tb 3+ (4f 8 ) analogs. The optical properties were explored further within a series of heterometallic MOF-76(Tb 1–x Am x ) (x = 0.8, 0.2, and 0.1) samples, and the results reveal enhanced Am 3+ photoluminescence.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stoichiometric Control and Optical Properties of BaTiO 3 Thin Films Grown by Hybrid MBE

BaTiO 3 is a technologically relevant material in the perovskite oxide class with above-room-temperature ferroelectricity and a very large electro-optical coefficient, making it highly suitable for emerging electronic and photonic devices. An easy, robust, straightforward, and scalable growth method is required to synthesize epitaxial BaTiO 3 thin films with sufficient control over the film's stoichiometry to achieve reproducible thin film properties. Here the growth of BaTiO 3 thin films by hybrid molecular beam epitaxy is reported. A self-regulated growth window is identified using complementary information obtained from reflection high energy electron diffraction, the intrinsic film lattice parameter, film surface morphology, and scanning transmission electron microscopy. Subsequent optical characterization of the BaTiO 3 films by spectroscopic ellipsometry revealed refractive index and extinction coefficient values closely resembling those of stoichiometric bulk BaTiO 3 crystals for films grown inside the growth window. Even in the absence of a lattice parameter change of BaTiO 3 thin films, degradation of optical properties is observed, accompanied by the appearance of a wide optical absorption peak in the IR spectrum, attributed to optical transitions involving defect states present. Therefore, the optical properties of BaTiO 3 can be utilized as a much finer and more straightforward probe to determine the stoichiometry level present in BaTiO 3 films.

36 MATERIALS SCIENCE↗

O 2 Oxidation and Sublimation Kinetics of Single Silicon Nanoparticles at 1200–2050 K: Variation of Reaction Rates, Evolution of Structural and Optical Properties, and the Active-to-Passive Transition

Sublimation and O 2 etching kinetics for a series of individual silicon (Si) nanoparticles (NPs) were studied for NP temperatures (T NP ) from 1200 to 2050 K, using a single NP mass spectrometry technique. Sublimation was significant for T NP > 1700 K, with rates reasonably well fit to Arrhenius kinetics, but evolving, particularly during initial heating. O 2 etching efficiencies varied from NP-to-NP and with changing T NP , but also evolved dramatically over time. For T NP ≤ 1500 K, NPs were observed to passivate after losing 30 to 50% of the initial NP mass. At higher T NP , etching efficiency decreased over time, but never passivated. Interestingly, bulk Si passivation has not been observed for the range of T NP and O 2 pressures used here, and a model was developed to test the effects of several NP-specific mechanistic parameters on both the initial and time-dependent etching behavior. As a result, the optical properties of the hot NPs were also found to evolve as the NPs etched, particularly during the initial fast mass loss, and correlations between emission intensities and etching kinetics were examined.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Optical Properties of Nanosatellite Hardware

Over the last decade, a number of very small satellites have been launched into space. These have been called nanosatellites (generally of a weight between 1 and 10 kg) or picosatellites (weight <1 kg). This also includes CubeSats, which are based on 10-cm cube units. With the addition of the Japanese Experiment Module (JEM) Small Satellite Orbital Deployer (J-SSOD) to the International Space Station (ISS), CubeSats are easily cycled through the JEM airlock and deployed into space (fig. 1). The number of CubeSats launched since 2003 was approaching 100 at the time of publication, and the authors expect this trend in research to continue, particularly for high school and college flight experiments. Because these spacecraft are so small, there is usually no allowance for shielding or active heating or cooling of the avionics and other hardware. Parts that are usually ignored in the thermal analysis of larger spacecraft may contribute significantly to the heat load of a tiny satellite. In addition, many small satellites have commercial-off-the-shelf (COTS) components. To reduce costs, many providers of COTS components do not include the optical and physical parameters necessary for accurate thermal analysis. Marshall Space Flight Center participated in the development and analysis of the Space Missile Defense Command-Operational Nanosatellite Effect (SMDC-ONE) and the Edison Demonstration of Smallsat Networks (EDSN) nanosatellites. These optical property measurements are documented here in hopes that they may benefit future nanosatellite and picosatellite programs and aid thermal analysis to ensure project goals are met, with the understanding that material properties may vary by vendor, batch, manufacturing process, and preflight handling. Where possible, complementary data are provided from ground simulations of the space environment and flight experiments, such as the Materials on International Space Station Experiment (MISSE) series. NASA gives no recommendation, endorsement, or preference, either expressed or implied, concerning materials and vendors used. Solar absorptance was calculated from spectral reflectance measurements made from 250 to 2,800 nm with an AZ Technology Laboratory Portable Spectroreflectometer (LPSR) model 300. ASTM E-903 was the test method used under normal laboratory conditions, and ASTM E-490 was the solar spectral irradiance data used to calculate solar absorptance. Most of the samples were flat, but stray light was minimized as much as possible with either a blackbody or black cloth as sample background. The LPSR has repeatability of approximately +/-1%, where solar absorptance is given as range, that is, from actual measurements taken across the sample. Infrared emittance measurements were made with an AZ Technology TEMP 2000A infrared reflectometer. This instrument measures the total hemispheric reflectance averaged over 3-35 micrometer wavelengths. ASTM E-408 was the test method used under normal laboratory conditions. 3 Stray light was minimized as much as possible. The TEMP 2000A has repeatability of approximately +/-0.5%, where infrared emittance is given as a range, that is, from actual measurements taken across the sample.

Finckenor, M. M.↗

Cavity Ring-Down Measurement of Aerosol Optical Properties During the Asian Dust Above Monterey Experiment and DOE Aerosol Intensive Operating Period

Large uncertainties in the effects of aerosols on climate require improved in-situ measurements of extinction coefficient and single-scattering albedo. This paper describes preliminary results from Cadenza, a new continuous wave cavity ring-down (CW-CRD) instrument designed to address these uncertainties. Cadenza measures the aerosol extinction coefficient for 675 nm and 1550 nm light, and simultaneously measures the scattering coefficient at 675 nm. In the past year Cadenza was deployed in the Asian Dust Above Monterey (ADAM) and DOE Aerosol Intensive Operating Period (IOP) field projects. During these flights Cadenza produced measurements of aerosol extinction in the range from 0.2 to 300/Mm with an estimated precision of 0.1/Mm for 1550 nm light and 0.2/Mm for 675 nm light. Cadenza data from the ADAM and Aerosol IOP missions compared favorably with data from the other instruments aboard the CIRPAS Twin Otter aircraft and participating in those projects. We present comparisons between the Cadenza measurements and those from a TSI nephelometer, Particle Soot Absorption Photometer (PSAP), and the AATS 14 sun-photometer. Measurements of the optical properties of smoke and dust plumes sampled during these campaigns are presented and estimates of heating rates due to these plumes are made.

Ricci, K.↗

A theoretical derivation of the dependence of the remotely sensed reflectance of the ocean on the inherent optical properties

An expression for the ratio of the upwelling nadir radiance L(pi, z) and the downwelling scalar irradiance E(sub od)(Z) is derived from the following equation of radiative transfer. This expression is given by RSR(z) = (L(pi, z))/E(sub od) = (f(sub b)(z)b(sub b)(z))/2 pi(k(pi, z) + c(z) - F(sub L)(z)b(sub f)(z)), where b(sub b)(z) is the backscattering coefficient, k(pi, z) is the vertical attenuation coefficient of the nadir radiance, c(z) is the beam attenuation coefficient, and f(sub b)(z) and f(sub L)(z) are shape parameters that depend on the shape of the volume scattering function and the radiance distribution. Successive approximations are subsequently applied to the above exact equation. These are f(sub b)(z) = (2 pi beta(pi - theta(sub m), z)/(b(sub b)(z))), where beta(pi - theta(sub m), z) is the volume scattering function at 180 deg minus the zenith angle of the maximum radiance, and k(pi, z) = am = c(1 - 0.52 b/c - 0.44 (b/c)(exp 2)), where m is a parameter that is numerically equal to the inverse of the average cosine of the asymptotic light field for a medium with the same inherent optical properties, a is the absorption coefficient, and b/c is the single scattering albedo. Together with f(sub L)(z) = 1.05 and application of Gershun's equation, it is shown that for nearly all oceanic cases RSR(z) identical to L(pi, z)/E(sub od)(z) = (Beta(pi - theta(sub m), z))/(a(z)(1 + m(z))).

Zaneveld, J. Ronald V.↗

Similarities in the Lidar-Observed Optical Properties in the 2020 Australian Bushfire PyroCb and the 2017 Pacific Northwest PyroCb Stratospheric Plumes

Recent fire seasons have featured volcanic-sized injections of smoke aerosols into the stratosphere where they persist for many months. Unfortunately, the aging and transport of these aerosols are not well understood. Using space-based lidar, the vertical and spatial propagation of these aerosol layers can be tracked and inferences can be made as to the size and shape of the constituent aerosol particles. In this study, space-based CALIOP and CATS lidar were used to track the evolution of the stratospheric aerosol plumes resulting from the 2019 - 2020 Australian bushfire and 2017 Pacific Northwest pyrocumulonimbus events and were compared to two volcanic events: Calbuco (2015) and Puyehue (2011) and two smaller pyrocumulonimbus events: California’s Rim Fire (2013) and Australia’s Black Saturday (2009). The aerosol plumes from the large pyrocumulonimbus events rose many kilometers in the stratosphere in the weeks after injection to upwards of 30km in altitude. The layer-integrated depolarization ratios and color ratios of the 2020 Australian bushfire and 2017 Pacific Northwest pyrocumulonimbus plumes both vary by altitude with the lidar-measured depolarization and color ratios indicating the higher altitude aerosol layers contain smaller and more irregularly shaped aerosol particles. This relationship between altitude and optical properties was not observed in the smaller pyrocumulonimbus or the volcanic event stratospheric plumes.

Kenneth Christian↗

Orientation-Controlled Large-Area Epitaxial PbI 2 Thin Films with Tunable Optical Properties

Lead iodide (PbI 2 ) as a layered material has emerged as an excellent candidate for optoelectronics in the visible and ultraviolet regime. Micrometer-sized flakes synthesized by mechanical exfoliation from bulk crystals or by physical vapor deposition have shown a plethora of applications from low-threshold lasing at room temperature to high-performance photodetectors with large responsivity and faster response. However, large-area centimeter-sized growth of epitaxial thin films of PbI 2 with well-controlled orientation has been challenging. Additionally, the nature of grain boundaries in epitaxial thin films of PbI 2 remains elusive. Here, we use mica as a model substrate to unravel the growth mechanism of large-area epitaxial PbI 2 thin films. The partial growth leading to uncoalesced domains reveals the existence of inversion domain boundaries in epitaxial PbI 2 thin films on mica. Combining the experimental results with first-principles calculations, we also develop an understanding of the thermodynamic and kinetic factors that govern the growth mechanism, which paves the way for the synthesis of high-quality large-area PbI 2 on other substrates and heterostructures of PbI 2 on single-crystalline graphene. Here, the ability to reproducibly synthesize high-quality large-area thin films with precise control over orientation and tunable optical properties could open up unique and hitherto unavailable opportunities for the use of PbI 2 and its heterostructures in optoelectronics, twistronics, substrate engineering, and strain engineering.

2D materials↗