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At least 1,027 records · Page 57

A semiempirical study for the ground and excited states of free-base and zinc porphyrin-fullerene dyads

The ground and excited states of a covalently linked porphyrin-fullerene dyad in both its free-base and zinc forms (D. Kuciauskas et al., J. Phys. Chem. 100 (1996) 15926) have been investigated by semiempirical methods. The excited-state properties are discussed by investigation of the character of the molecular orbitals. All frontier MOs are mainly localized on either the donor or the acceptor subunit. Thus, the absorption spectra of both systems are best described as the sum of the spectra of the single components. The experimentally observed spectra are well reproduced by the theoretical computations. Both molecules undergo efficient electron transfer in polar but not in apolar solvents. This experimental finding is explained theoretically by explicitly considering solvent effects. The tenth excited state in the gas phase is of charge-separated character where an electron is transferred from the porphyrin donor to the fullerene acceptor subunit. This state is stabilized in energy in polar solvents due to its large formal dipole moment. The stabilization energy for an apolar environment such as benzene is not sufficient to lower this state to become the first excited singlet state. Thus, no electron transfer is observed, in agreement with experiment. In a polar environment such as acetonitrile, the charge-separated state becomes the S, state and electron transfer takes place, as observed experimentally. The flexible single bond connecting both the donor and acceptor subunits allows free rotation by ca. +/- 30 degrees about the optimized ground-state conformation. For the charge-separated state this optimized geometry has a maximum dipole moment. The geometry of the charge-separated state thus does not change relatively to the ground-state conformation. The electron-donating properties of porphyrin are enhanced in the zinc derivative due to a reduced porphyrin HOMO-LUMO energy gap. This yields a lower energy for the charge-separated state compared to the free-base dyad.

Bridged Compounds/chemistry↗

Benthic Marine Cyanobacterial Mat Ecosystems: Biogeochemistry and Biomarkers

Cyanobacterial mats are complete ecosystems that can include processes of primary production, diagenesis and lithification. Light sustains oxygenic photosynthesis, which in turn provides energy, organic matter and oxygen to the community. Due to both absorption and scattering phenomena, incident light is transformed with depth in the mat, both in intensity and spectral composition. Mobile photo synthesizers optimize their position with respect to this light gradient. When photosynthesis ceases at night, the upper layers of the mat become reduced and sulfidic. Counteracting gradients of oxygen and sulfide combine to provide daily-contrasting environments separated on a scale of a few mm. The functional complexity of mats, coupled with the highly proximal and ordered spatial arrangement of biota, offers the potential for a staggering number of interactions. At a minimum, the products of each functional group of microorganisms affect the other groups both positively and negatively. For example, cyanobacteria generate organic matter (potential substrates) but also oxygen (a toxin for many anaerobes). Anaerobic activity recycles nutrients to the photosynthesizers but also generates potentially toxic sulfide. The combination of benefits and hazards of light, oxygen and sulfide promotes the allocation of the various essential mat processes between light and dark periods, and to various depths in the mat. Observations of mats have produced numerous surprises. For example, obligately anaerobic processes can occur in the presence of abundant oxygen, highly reduced gases are produced in the presence of abundant sulfate, meiofauna thrive at high sulfide concentrations, and the mats' constituent populations respond to environmental changes in complex ways. While photosynthetic bacteria dominate the biomass and productivity of the mat, nonphotosynthetic, anaerobic processes constitute the ultimate biological filter on the ecosystem's emergent biosignatures, including those sedimentary textures, organic compounds, and minerals that enter the fossil record. The ability of cyanobacterial mats to channel abundant solar energy into the creation and maintenance of complex structures and processes has created a multitude of consequences, both for sedimentation and for the early evolution of our biosphere.

DesMarais, David J.↗

Supercritical Water Oxidation (SCWO) Trade Study and 2021 Final Report

SCWO is a promising technology whose main benefits is that it is capable of completely mineralizing organic compounds in wastewater and separating inorganic salts. This means that SCWO can theoretically function as a single step water treatment system. It performs the functions of both the primary treatment system and the secondary brine drying function to achieve near 100% water recovery. It can also handle solids so no pretreatment of the feed is required. A preliminary trade study indicates that SCWO could be competitive with the ISS state of the art if its power consumption could be reduced. Thermal and mechanical energy recovery system exist that could reduce SCWO energy consumption to a level that is competitive with the state of the art. In addition, increasing the feed wastewaters organic content by including other wastes, such as feces, could produce a reactor that is thermally self-sustaining. There are 5 different types of SCWO reactors. They are; tubular, tank, impingement, transpiring wall reactors (TWR) and super critical water mixing (SCWM) reactors. Of these the best suited for NASA missions are the impingement and SCWM reactors. The impingement reactor is best suited for near term missions because it can treat the low organic content wastewaters such as are expected for initial Lunar and Mars missions and has the ability to remove precipitated inorganic solids. The SCWM reactor is best suited for longer duration CELSS type missions where high organic content wastewater is available and will resolve solids fouling and corrosion issues. In addition, these two reactors have a long NASA heritage and have been developed specifically for space flight application. Tubular reactors suffer from plugging issues which is a safety concern. Tank reactors will increase in size inversely with gravity, which will trade poorly in Lunar and Mars environments where gravity is reduced. TWR reactors require high organic content wastewater feed and the SCWM reactor is an optimized version of the TWR for NASA applications. It is recommended that in FY 2022 NASA continue to fully evaluate the ability of SCWO to produce potable water and remove inorganics as a solid byproduct. This should be done using the impingement reactor for near term missions and SCWM for longer duration missions. NASA should also develop optimized recuperative heat exchangers and pressure recovery devices to reduce power consumption and investigate inclusion of feces and other organic wastes into the wastewater model to increase its organic content and further reduce thermal energy requirements.

Supercritical Water Oxidation↗

The optimization of aircraft seat cushion fire-blocking layers. Full Scale: Test description and results

Full-scale burn tests were conducted on thirteen different seat cushion configurations in a cabin fire simulator. The fire source used was a quartz lamp radiant energy panel with a propane pilot flame. During each test, data were recorded for cushion temperatures, radiant heat flux, rate of weight loss of test specimens, and cabin temperatures. When compared to existing passenger aircraft seat cushions, the test specimens incorporating a fire barrier and those fabricated from advance materials, using improved construction methods, exhibited significantly greater fire resistance.

Schutter, K. J.↗

Efficiency and cost advantages of an advanced-technology nuclear electrolytic hydrogen-energy production facility

The concept of an advanced-technology (viz., 1985 technology) nuclear-electrolytic water electrolysis facility was assessed for hydrogen production cost and efficiency expectations. The facility integrates (1) a high-temperature gas-cooled nuclear reactor (HTGR) operating a binary work cycle, (2) direct-current (d-c) electricity generation via acyclic generators, and (3) high-current-density, high-pressure electrolyzers using a solid polymer electrolyte (SPE). All subsystems are close-coupled and optimally interfaced for hydrogen production alone (i.e., without separate production of electrical power). Pipeline-pressure hydrogen and oxygen are produced at 6900 kPa (1000 psi). We found that this advanced facility would produce hydrogen at costs that were approximately half those associated with contemporary-technology nuclear electrolysis: $5.36 versus $10.86/million Btu, respectively. The nuclear-heat-to-hydrogen-energy conversion efficiency for the advanced system was estimated as 43%, versus 25% for the contemporary system.

Donakowski, T. D.↗

Active control of panel vibrations induced by boundary-layer flow

Some problems in active control of panel vibration excited by a boundary layer flow over a flat plate are studied. In the first phase of the study, the optimal control problem of vibrating elastic panel induced by a fluid dynamical loading was studied. For a simply supported rectangular plate, the vibration control problem can be analyzed by a modal analysis. The control objective is to minimize the total cost functional, which is the sum of a vibrational energy and the control cost. By means of the modal expansion, the dynamical equation for the plate and the cost functional are reduced to a system of ordinary differential equations and the cost functions for the modes. For the linear elastic plate, the modes become uncoupled. The control of each modal amplitude reduces to the so-called linear regulator problem in control theory. Such problems can then be solved by the method of adjoint state. The optimality system of equations was solved numerically by a shooting method. The results are summarized.

Chow, Pao-Liu↗

Optical materials for space based laser systems

The design features and performance characteristics of a sensitized holmium laser applicable to differential lidar and Doppler windshear measurements are presented, giving attention to the optimal choice of sensitizing/activating dopant ions. This development of a 2-micron region eye-safe laser, where holmium is sensitized by either hulium or erbium, has called for interionic energy transfer processes whose rate will not result in gain-switched pulses that are excessively long for atmospheric lidar and Doppler windshear detection. The application of diamond films for optical component hardening is noted.

Buoncristiani, A. M.↗

SIRTF focal plane technologies

The Space Infrared Telescope Facility (SIRTF) will have three science instruments, the Infrared Array Camera (IRAC) which will obtain multispectral images between 1.8 micron and 26 microns, the Infrared Spectrometer (IRS) which is a set of two dispersive spectrometers covering the wavelength range between 2.5 and 200 microns, and the Multiband Imaging Photometer for SIRTF (MIPS) which is a general-purpose photometric instrument which operates between 30 and 1,200 microns. Taken together, the full wavelength range of these instruments extends from 1.8 micron to 1,200 microns, equivalent to nearly a factor of 700 in photon energy and diffraction limited image size. In addition to supporting this unprecedented spectral and optical coupling requirement, the SIRTF detectors must operate at lower temperatures than previously demonstrated and be optimized for new levels of performance in order to achieve the goals of the science mission. Thus, development of the detector arrays for the SIRTF instruments is one of the most challenging aspects of the instrument development activities.

Capps, Richard W.↗

Burst detection capability of the Mars Observer gamma-ray spectrometer

This paper describes the gamma-ray burst detection capability of the gamma-ray spectrometer on board the Mars Observer spacecraft. The instrument is designed to respond to significant bursts by suspending its observation of the Martian surface in favor of optimizing the collection of pre-burst, burst, and post-burst data. The results are expected to contribute to our understanding of gamma-ray bursts through a high energy resolution search for line emission, by the examination of spectral shapes and by comprising one leg of an arrival time network to determine the direction of origin.

Metzger, Albert E.↗

Design of a composite filter realizable on practical spatial light modulators

Hybrid optical correlator systems use two spatial light modulators (SLM's), one at the input plane and the other at the filter plane. Currently available SLM's such as the deformable mirror device (DMD) and liquid crystal television (LCTV) SLM's exhibit arbitrarily constrained operating characteristics. The pattern recognition filters designed with the assumption that the SLM's have ideal operating characteristic may not behave as expected when implemented on the DMD or LCTV SLM's. Therefore it is necessary to incorporate the SLM constraints in the design of the filters. In this report, an iterative method is developed for the design of an unconstrained minimum average correlation energy (MACE) filter. Then using this algorithm a new approach for the design of a SLM constrained distortion invariant filter in the presence of input SLM is developed. Two different optimization algorithms are used to maximize the objective function during filter synthesis, one based on the simplex method and the other based on the Hooke and Jeeves method. Also, the simulated annealing based filter design algorithm proposed by Khan and Rajan is refined and improved. The performance of the filter is evaluated in terms of its recognition/discrimination capabilities using computer simulations and the results are compared with a simulated annealing optimization based MACE filter. The filters are designed for different LCTV SLM's operating characteristics and the correlation responses are compared. The distortion tolerance and the false class image discrimination qualities of the filter are comparable to those of the simulated annealing based filter but the new filter design takes about 1/6 of the computer time taken by the simulated annealing filter design.

Rajan, P. K.↗

Transient Growth Theory Prediction of Optimal Placing of Passive and Active Flow Control Devices for Separation Delay in LPT Airfoils

An analysis of the non-modal growth of perturbations in a boundary layer in the presence of a streamwise pressure gradient is presented. The analysis is based on PSE equations for an incompressible fluid. Examples with Falkner-Skan profiles indicate that a favorable pressure gradient decreases the non-modal growth while an unfavorable pressure gradient leads to an increase of the amplification. It is suggested that the transient growth mechanism be utilized to choose optimal parameters of tripping elements on a low-pressure turbine (LPT) airfoil. As an example, a boundary layer flow with a streamwise pressure gradient corresponding to the pressure distribution over a LPT airfoil is considered. It is shown that there is an optimal spacing of the tripping elements and that the transient growth effect depends on the starting point. At very low Reynolds numbers, there is a possibility to enhance the transient energy growth by means of wall cooling.

Tumin, Anatoli↗

Thin Film Solar Cells: Organic, Inorganic and Hybrid

Thin film solar cells are an important developing resource for hundreds of applications including space travel. In addition to being more cost effective than traditional single crystal silicon cells, thin film multi-crystaline cells are plastic and light weight. The plasticity of the cells allows for whole solar panels to be rolled out from reams. Organic layers are being investigated in order to increase the efficiency of the cells to create an organic / inorganic hybrid cell. The main focus of the group is a thin film inorganic cell made with the absorber CuInS2. So far the group has been successful in creating the layer from a single-source precursor. They also use a unique method of film deposition called chemical vapor deposition for this. The general makeup of the cell is a molybdenum back contact with the CuInS2 layer, then CdS, ZnO and aluminum top contacts. While working cells have been produced, the efficiency so far has been low. Along with quantum dot fabrication the side project of this that is currently being studied is adding a polymer layer to increase efficiency. The polymer that we are using is P3OT (Poly(3-octylthiopene-2,5-diyll), retroregular). Before (and if) it is added to the cell, it must be understood in itself. To do this simple diodes are being constructed to begin to look at its behavior. The P3OT is spin coated onto indium tin oxide and silver or aluminum contacts are added. This method is being studied in order to find the optimal thickness of the layer as well as other important considerations that may later affect the composition of the finished solar cell. Because the sun is the most abundant renewable, energy source that we have, it is important to learn how to harness that energy and begin to move away from our other depleted non-renewable energy sources. While traditional silicon cells currently create electricity at relatively high efficiencies, they have drawbacks such as weight and rigidness that make them unattractive especially for space applications. Thin film photovoltaics have the potential to alleviate these problems and create a cheap and efficient way to harness the power of the sun.

Dankovich, John↗

Three-Dimensional Venturi Sensor for Measuring Extreme Winds

A three-dimensional (3D) Venturi sensor is being developed as a compact, rugged means of measuring wind vectors having magnitudes of as much as 300 mph (134 m/s). This sensor also incorporates auxiliary sensors for measuring temperature from -40 to +120 F (-40 to +49 C), relative humidity from 0 to 100 percent, and atmospheric pressure from 846 to 1,084 millibar (85 to 108 kPa). Conventional cup-and-vane anemometers are highly susceptible to damage by both high wind forces and debris, due to their moving parts and large profiles. In addition, they exhibit slow recovery times contributing to an inaccurately high average-speed reading. Ultrasonic and hot-wire anemometers overcome some of the disadvantages of the cup and-vane anemometers, but they have other disadvantageous features, including limited dynamic range and susceptibility to errors caused by external acoustic noise and rain. In contrast, the novel 3D Venturi sensor is less vulnerable to wind damage because of its smaller profile and ruggedness. Since the sensor has no moving parts, it provides increased reliability and lower maintenance costs. It has faster response and recovery times to changing wind conditions than traditional systems. In addition, it offers wide dynamic range and is expected to be relatively insensitive to rain and acoustic energy. The Venturi effect in this sensor is achieved by the mirrored double-inflection curve, which is then rotated 360 to create the desired detection surfaces. The curve is optimized to provide a good balance of pressure difference between sensor ports and overall maximum fluid velocity while in the shape. Four posts are used to separate the two shapes, and their size and location were chosen to minimize effects on the pressure measurements. The 3D Venturi sensor has smart software algorithms to map the wind pressure exerted on the surfaces of the design. Using Bernoulli's equation, the speed of the wind is calculated from the differences among the pressure readings at the various ports. The direction of the wind is calculated from the spatial distribution and magnitude of the pressure readings. All of the pressure port sizes and locations have been optimized to minimize measurement errors and to reside in areas demonstrating a stable pressure reading proportional to the velocity range.

Zysko, Jan A.↗

Linked-List-Based Multibody Dynamics (MBDyn) Engine

This new release of MBDyn is a software engine that calculates the dynamics states of kinematic, rigid, or flexible multibody systems. An MBDyn multibody system may consist of multiple groups of articulated chains, trees, or closed-loop topologies. Transient topologies are handled through conservation of energy and momentum. The solution for rigid-body systems is exact, and several configurable levels of nonlinear term fidelity are available for flexible dynamics systems. The algorithms have been optimized for efficiency and can be used for both non-real-time (NRT) and real-time (RT) simulations. Interfaces are currently compatible with NASA's Trick Simulation Environment. This new release represents a significant advance in capability and ease of use. The two most significant new additions are an application programming interface (API) that clarifies and simplifies use of MBDyn, and a link-list infrastructure that allows a single MBDyn instance to propagate an arbitrary number of interacting groups of multibody top ologies. MBDyn calculates state and state derivative vectors for integration using an external integration routine. A Trickcompatible interface is provided for initialization, data logging, integration, and input/output.

MacLean, John↗

Erasing the Milky Way: New Cleaning Technique Applied to GBT Intensity Mapping Data

We present the first application of a new foreground removal pipeline to the current leading HI intensity mapping dataset, obtained by the Green Bank Telescope (GBT). We study the 15- and 1-h field data of the GBT observations previously presented in Masui et al. (2013) and Switzer et al. (2013), covering about 41 square degrees at 0.6 less than z is less than 1.0, for which cross-correlations may be measured with the galaxy distribution of the WiggleZ Dark Energy Survey. In the presented pipeline, we subtract the Galactic foreground continuum and the point source contamination using an independent component analysis technique (fastica), and develop a Fourier-based optimal estimator to compute the temperature power spectrum of the intensity maps and cross-correlation with the galaxy survey data. We show that fastica is a reliable tool to subtract diffuse and point-source emission through the non-Gaussian nature of their probability distributions. The temperature power spectra of the intensity maps is dominated by instrumental noise on small scales which fastica, as a conservative sub-traction technique of non-Gaussian signals, can not mitigate. However, we determine similar GBT-WiggleZ cross-correlation measurements to those obtained by the Singular Value Decomposition (SVD) method, and confirm that foreground subtraction with fastica is robust against 21cm signal loss, as seen by the converged amplitude of these cross-correlation measurements. We conclude that SVD and fastica are complementary methods to investigate the foregrounds and noise systematics present in intensity mapping datasets.

Wolz, L.↗

A FDTD Solution of Scattering of Laser Beam with Orbital Angular Momentum by Dielectric Particles: Far-Field Characteristics

Electromagnetic (EM) beams with orbital angular momentum (OAM) may have great potential applications in communication technology and in remote sensing of the Earth-atmosphere system and outer planets. Study of their interaction with optical lenses and dielectric or metallic objects, or scattering of them by particles in the Earth-atmosphere system, is a necessary step to explore the advantage of the OAM EM beams. In this study, the 3-dimensional (3D) scattered-field (SF) finite-difference time domain (FDTD) technique with the convolutional perfectly matched layer (CPML) absorbing boundary conditions (ABC) is applied to calculate the scattering of the purely azimuthal (the radial mode number is assumed to be zero) Laguerre–Gaussian (LG) beams with the OAM by dielectric particles. We found that for OAM beam׳s interaction with dielectric particles, the forward-scattering peak in the conventional phase function (P11) disappears, and light scattering peak occurs at a scattering angle of ~15° to 45°. The disappearance of forward-scattering peak means that, in laser communications most of the particle-scattered noise cannot enter the receiver, thus the received light is optimally the original OAM-encoded signal. This feature of the OAM beam also implies that in lidar remote sensing of the atmospheric particulates, most of the multiple-scattering energy will be off lidar sensors, and this may result in an accurate profiling of particle layers in the atmosphere or in the oceans by lidar, or even in the ground when a ground penetration radar (GPR) with the OAM is applied. This far-field characteristics of the scattered OAM light also imply that the optical theorem, which is derived from plane-parallel wave scattering case and relates the forward scattering amplitude to the total cross section of the scatterer, is invalid for the scattering of OAM beams by dielectric particles.

Electromagnetic beams↗

Soil Moisture Active Passive (SMAP) observer power system architecture

The Soil Moisture Active and Passive (SMAP) observer is scheduled for launch in 2014. The primary science objective of SMAP is the high-resolution mapping of earth’s soil moisture. These measurements will be used to enhance understanding of processes that link the water, energy and carbon cycles, and to extend the capabilities of weather and climate prediction models. The SMAP orbit, sun-synchronous with an altitude of 680 km, was chosen to optimize the sampling characteristics of the instruments while ensuring that the resolution requirements are met. The combined active radar and passive radiometer measurement approach takes advantage of the spatial resolutions of the radar (3 km x 1000 km) and the radiometer (39 km x 47 km).

Carr, Gregory↗

Battery Cell-to-Pack Scaling Laws for Electric Aircraft

Battery pack gravimetric energy density is one of the most important, yet often miss-estimated design parameters for sizing all-electric aircraft. Proper accounting for thermal, structural, and operational safety margins are frequently lost when extrapolating performance from the cell level to the aircraft level. This paper summarizes the relevant engineering and certification details needed to better account for the penalties associated when assembling battery packs. The relationship between the cell and pack energy density is not linear, as is often assumed. Furthermore, the relationship varies depending on pack requirements, cell chemistry, and architecture. Parametric, high-fidelity models are used to determine optimal battery pack sizes over a range of conditions to better quantify technology scaling effects.

Battery Electric Aircraft↗