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At least 235 records · Page 13

Analytic computation of energy derivatives - Relationships among partial derivatives of a variationally determined function

Formulas are presented relating Taylor series expansion coefficients of three functions of several variables, the energy of the trial wave function (W), the energy computed using the optimized variational wave function (E), and the response function (lambda), under certain conditions. Partial derivatives of lambda are obtained through solution of a recursive system of linear equations, and solution through order n yields derivatives of E through order 2n + 1, extending Puley's application of Wigner's 2n + 1 rule to partial derivatives in couple perturbation theory. An examination of numerical accuracy shows that the usual two-term second derivative formula is less stable than an alternative four-term formula, and that previous claims that energy derivatives are stationary properties of the wave function are fallacious. The results have application to quantum theoretical methods for the computation of derivative properties such as infrared frequencies and intensities.

King, H. F.↗

Receiver performance of laser ranging measurements between the Lunar Observer and a subsatellite for lunar gravity studies

The optimal receiver for a direct detection laser ranging system for slow Doppler frequency shift measurement is shown to consist of a phase tracking loop which can be implemented approximately as a phase lock loop with a 2nd or 3rd order loop filter. The laser transmitter consists of an AlGaAs laser diode at a wavelength of about 800 nm and is intensity modulated by a sinewave. The receiver performance is shown to be limited mainly by the preamplifier thermal noise when a silicon avalanche photodiode is used. A high speed microchannel plate photomultiplier tube is shown to outperform a silicon APD despite its relatively low quantum efficiency at wavelengths near 800 nm. The maximum range between the Lunar Observer and the subsatellite for lunar gravity studies is shown to be about 620 km when using a state-of-the-art silicon APD and about 1000 km when using a microchannel plate photomultiplier tube in order to achieve a relative velocity measurement accuracy of 1 millimeter per second. Other parameters such as the receiver time base jitter and drift also limit performance and have to be considered in the design of an actual system.

Davidson, Frederic M.↗

Evaluations of Risks from the Lunar and Mars Radiation Environments

Protecting astronauts from the space radiation environments requires accurate projections of radiation in future space missions. Characterization of the ionizing radiation environment is challenging because the interplanetary plasma and radiation fields are modulated by solar disturbances and the radiation doses received by astronauts in interplanetary space are likewise influenced. The galactic cosmic radiation (GCR) flux for the next solar cycle was estimated as a function of interplanetary deceleration potential, which has been derived from GCR flux and Climax neutron monitor rate measurements over the last 4 decades. For the chaotic nature of solar particle event (SPE) occurrence, the mean frequency of SPE at any given proton fluence threshold during a defined mission duration was obtained from a Poisson process model using proton fluence measurements of SPEs during the past 5 solar cycles (19-23). Analytic energy spectra of 34 historically large SPEs were constructed over broad energy ranges extending to GeV. Using an integrated space radiation model (which includes the transport codes HZETRN [1] and BRYNTRN [2], and the quantum nuclear interaction model QMSFRG[3]), the propagation and interaction properties of the energetic nucleons through various media were predicted. Risk assessment from GCR and SPE was evaluated at the specific organs inside a typical spacecraft using CAM [4] model. The representative risk level at each event size and their standard deviation were obtained from the analysis of 34 SPEs. Risks from different event sizes and their frequency of occurrences in a specified mission period were evaluated for the concern of acute health effects especially during extra-vehicular activities (EVA). The results will be useful for the development of an integrated strategy of optimizing radiation protection on the lunar and Mars missions. Keywords: Space Radiation Environments; Galactic Cosmic Radiation; Solar Particle Event; Radiation Risk; Risk Analysis; Radiation Protection.

Kim, Myung-Hee↗

On the bond distance in methane

The equilibrium bond distance in methane was optimized using coupled-pair functional and contracted CI wave functions, and a Gaussian basis that includes g-type functions on carbon and d-type functions on hydrogen. The resulting bond distance, when corrected for core-valence correlation effects, agrees with the experimental value of 2.052 a(0) to within the experimental uncertainty of 0.002 a(0). The main source of error in the best previous studies, which showed discrepancies with experiment of 0.007 a(0) is shown to be basis set incompleteness. In particular, it is important that the basis set be close to saturation, at least for the lower angular quantum numbers.

Bowen-Jenkins, Philippa↗

On the bond distance in methane

The equilibrium bond distance in methane has been optimized using coupled-pair functional and contracted CI wave functions, and a Gaussian basis that includes g-type functions on carbon and d-type functions on hydrogen. The resulting bond distance, when corrected for core-valance correlation effects, agrees with the experimental value of 2.052 a(0) to within the experimental uncertainty of 0.002 a(0). The main source of error in the best previous studies, which showed discrepancies with experiment of 0.007 a(0) is shown to be basis set incompleteness. In particular, it is important that the basis set be close to saturation, at least for the lower angular quantum numbers.

Bowen-Jenkins, Philippa↗

High-power single spatial mode AlGaAs channeled-substrate-planar semiconductor diode lasers for spaceborne communications

A high power single spatial mode channeled substrate planar AlGaAs semiconductor diode laser was developed. The emission wavelength was optimized at 860 to 880 nm. The operating characteristics (power current, single spatial mode behavior, far field radiation patterns, and spectral behavior) and results of computer modeling studies on the performance of the laser are discussed. Reliability assessment at high output levels is included. Performance results on a new type of channeled substrate planar diode laser incorporating current blocking layers, grown by metalorganic chemical vapor deposition, to more effectively focus the operational current to the lasing region was demonstrated. The optoelectronic behavior and fabrication procedures for this new diode laser are discussed. The highlights include single spatial mode devices with up to 160 mW output at 8600 A, and quantum efficiencies of 70 percent (1 W/amp) with demonstrated operating lifetimes of 10,000 h at 50 mW.

Connolly, J. C.↗

Advances toward high spectral resolution quantum X-ray calorimetry

Thermal detectors for X-ray spectroscopy combining high spectral resolution and quantum efficiency have been developed. These microcalorimeters measure the energy released in the absorption of a single photon by sensing the rise in temperature of a small absorbing structure. The ultimate energy resolution of such a device is limited by the thermodynamic power fluctuations in the thermal link between the calorimeter and isothermal bath and can in principle be made as low as 1 eV. The performance of a real device is degraded due to noise contributions such as excess 1/f noise in the thermistor and incomplete conversion of energy into phonons. The authors report some recent advances in thermometry, X-ray absorption and thermalization, fabrication techniques, and detector optimization in the presence of noise. These improvements have resulted in a device with a spectral resolution of 17 eV FWHM, measured at 6 keV.

Moseley, S. H.↗

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↗

CCD scanning for comets and asteroids

Some populations of objects in the solar system are still poorly known, and the long-range goal of this program is to improve that situation. For instance, the statistics of Trojan asteroids are uncertain, while previous serveying indicates there is an appreciable systematic difference between the L-4 and L-5 regions, which is hard to explain. Researchers are developing for this goal a new technique of sky surveillance, namely scanning with a charge coupled device (CCD). With its quantum efficiency and wavelength range greater than that of photographic plates, the CCD should be especially valuable for fast-moving objects such as near-Earth asteroids. A 320 x 512 pixel CCD has been in operation since 1983 on a telescope that is dedicated during the dark half of each month to sky surveillance, that is the Spacewatch Telescope which is the 91-cm Newtonian reflector of the Steward Observatory on Kitt Peak. The system was found to be of special value for astrometry. The telescope drive is turned off at a selected distance west of the object and the scan is continued such that the number of astrometric standards is optimized. Because the drive is off, the effects of refraction practically vanish.

Gehrels, Tom↗

A directed search for extraterrestrial laser signals

The focus of NASA's Search for Extraterrestrial Intelligence (SETI) Program is on microwave frequencies, where receivers have the best sensitivities for the detection of narrowband signals. Such receivers, when coupled to existing radio telescopes, form an optimal system for broad area searches over the sky. For a directed search, however, such as toward specific stars, calculations show that infrared wavelengths can be equally as effective as radio wavelengths for establishing an interstellar communication link. This is true because infrared telescopes have higher directivities (gains) that effectively compensate for the lower sensitivities of infrared receivers. The result is that, for a given level of transmitted power, the signal to noise ratio for communications is equally as good at infrared and radio wavelengths. It should also be noted that the overall sensitivities of both receiver systems are quite close to their respective fundamental limits: background thermal noise for the radio frequency system and quantum noise for the infrared receiver. Consequently, the choice of an optimum communication frequency may well be determined more by the achievable power levels of transmitters rather than the ultimate sensitivities of receivers at any specific frequency. In the infrared, CO2 laser transmitters with power levels greater than 1 MW can already be built on Earth. For a slightly more advanced civilization, a similar but enormously more powerful laser may be possible using a planetary atmosphere rich in CO2. Because of these possibilities and our own ignorance of what is really the optimum search frequency, a search for narrowband signals at infrared frequencies should be a part of a balanced SETI Program. Detection of narrowband infrared signals is best done with a heterodyne receiver functionally identical to a microwave spectral line receiver. We have built such a receiver for the detection of CO2 laser radiation at wavelengths near 10 microns. The spectrometer uses a high-speed HgCdTe diode as the photomixer and a small CO2 laser as the local oscillator. Output signals in the intermediate frequency range 0.1-2.6 GHz are processed by a 1000-channel acousto-optic signal processor. The receiver is being used on a 1.5-m telescope on Mt. Wilson to survey a selected sample of 150 nearby stars. The current status of the work is discussed along with future project plans.

Betz, A.↗

NASA Tech Briefs, March 2007

Topics include: Advanced Systems for Monitoring Underwater Sounds; Wireless Data-Acquisition System for Testing Rocket Engines; Processing Raw HST Data With Up-to-Date Calibration Data; Mobile Collection and Automated Interpretation of EEG Data; System for Secure Integration of Aviation Data; Servomotor and Controller Having Large Dynamic Range; Digital Multicasting of Multiple Audio Streams; Translator for Optimizing Fluid-Handling Components; AIRSAR Web-Based Data Processing; Pattern Matcher for Trees Constructed From Lists; Reducing a Knowledge-Base Search Space When Data Are Missing; Ground-Based Correction of Remote-Sensing Spectral Imagery; State-Chart Autocoder; Pointing History Engine for the Spitzer Space Telescope; Low-Friction, High-Stiffness Joint for Uniaxial Load Cell; Magnet-Based System for Docking of Miniature Spacecraft; Electromechanically Actuated Valve for Controlling Flow Rate; Plumbing Fixture for a Microfluidic Cartridge; Camera Mount for a Head-Up Display; Core-Cutoff Tool; Recirculation of Laser Power in an Atomic Fountain; Simplified Generation of High-Angular-Momentum Light Beams; Imaging Spectrometer on a Chip; Interferometric Quantum-Nondemolition Single-Photon Detectors; Ring-Down Spectroscopy for Characterizing a CW Raman Laser; Complex Type-II Interband Cascade MQW Photodetectors; Single-Point Access to Data Distributed on Many Processors; Estimating Dust and Water Ice Content of the Martian Atmosphere From THEMIS Data; Computing a Stability Spectrum by Use of the HHT; Theoretical Studies of Routes to Synthesis of Tetrahedral N4; Estimation Filter for Alignment of the Spitzer Space Telescope; Antenna for Measuring Electric Fields Within the Inner Heliosphere; Improved High-Voltage Gas Isolator for Ion Thruster; and Hybrid Mobile Communication Networks for Planetary Exploration.

Source record↗

InGaP Heterojunction Barrier Solar Cells

A new solar cell structure called a heterojunction barrier solar cell is described. As with previously reported quantum-well and quantum-dot solar cell structures, a layer of narrow band-gap material, such as GaAs or indium-rich InGaP, is inserted into the depletion region of a wide band-gap PN junction. Rather than being thin, however, the layer of narrow band-gap material is about 400-430 nm wide and forms a single, ultrawide well in the depletion region. Thin (e.g., 20-50 nm), wide band-gap InGaP barrier layers in the depletion region reduce the diode dark current. Engineering the electric field and barrier profile of the absorber layer, barrier layer, and p-type layer of the PN junction maximizes photogenerated carrier escape. This new twist on nanostructured solar cell design allows the separate optimization of current and voltage to maximize conversion efficiency.

Welser, Roger E.↗

Exploring Li-Air Batteries for High Specific Energy and High Power Applications: A Simulation Study

Commercialization of lithium-air batteries face many challenges, such as electrolyte decomposition, short cycle life, low energy efficiency, low power density, etc. However, commercialization of Li-air batteries for mass sensitive applications such as electric vehicles, portable power source, and drones is more challenging due to additional constraints of safety, electrolyte evaporation, high specific energy requirements, and reliable discharge times. In this presentation, we will present our finite element simulation results comparing Li-O2 and Li-air batteries using power density, energy density, specific power, and discharge times as metrics to evaluate different electrolytes and electrode geometry to reduce total mass and maximize discharge current. We use a finite element model and a discharge product model developed in which is based on porous electrode and concentrated electrolyte theories and the discharge product is modeled using quantum tunneling; for reaction kinetics and oxygen diffusion, an improved model was used. The electrolyte properties such as ion conductivity and ion diffusion were obtained from Molecular Dynamics (MD) simulations while the other parameters for the finite element model were calibrated to match experiments at high discharge current densities (>1.5 mA/cm2). The mass densities of different electrolytes were computed using MD simulations as well. For this presentation, we examine the practical electrochemical mass of a system at different current ratings, the sensitivity of mass to the use of ambient air as compared to pure oxygen as well as the electrolyte, which affects maximum current density and the total mass associated with the electrolyte (which includes the mass of additional components), and, the optimization of battery geometry for total discharge time, average discharge voltage, maximum discharge current, and minimum electrochemical mass.

Mehta, M.↗

Modeling and simulation of InP homojunction solar cells

Modeling and simulation of single-crystal InP homojunction solar cells has been performed using the PC-1D code. Cell design and performance have been optimized using the best available estimates of the various materials parameters. A comparison has been made of the predictions of the PC-1D model to those of other models. The optimum performance is predicted to give an efficiency approaching 21 percent at AM0. It is shown that in order to describe the performance of actual cells it is necessary to use larger values of the intrinsic carrier concentration and the surface recombination velocity (SRV) than have been reported in the literature. However, even with a near-maximum value of SRV (e.g., 10 to the 7th cm/s) it is necessary to reduce the minority carrier diffusion length in the emitter to only 0.01 micron in order to account for the relatively low quantum efficiency in the blue part of the spectrum. This indicates that improvement in the emitter bulk properties could be much more important than the SRV. Other loss mechanisms are also discussed; in particular, it is shown that recombination in the base, for good quality material, is relatively insignificant.

Yahia, A. H.↗

A Discrete Component Low-Noise Preamplifier Readout for a Linear (1x16) SiC Photodiode Array

A compact, low-noise and inexpensive preamplifier circuit has been designed and fabricated to optimally readout a common cathode (1x16) channel 4H-SiC Schottky photodiode array for use in ultraviolet experiments. The readout uses an operational amplifier with 10 pF capacitor in the feedback loop in parallel with a low leakage switch for each of the channels. This circuit configuration allows for reiterative sample, integrate and reset. A sampling technique is given to remove Johnson noise, enabling a femtoampere level readout noise performance. Commercial-off-the-shelf acquisition electronics are used to digitize the preamplifier analogue signals. The data logging acquisition electronics has a different integration circuit, which allows the bandwidth and gain to be independently adjusted. Using this readout, photoresponse measurements across the array between spectral wavelengths 200 nm and 370 nm are made to establish the array pixels external quantum efficiency, current responsivity and noise equivalent power.

low-noise preamplifier↗

Computational Nanomechanics of Carbon Nanotubes and Composites

Nanomechanics of individual carbon and boron-nitride nanotubes and their application as reinforcing fibers in polymer composites has been reviewed with interplay of theoretical modeling, computer simulations and experimental observations. The emphasis in this work is on elucidating the multi-length scales of the problems involved, and of different simulation techniques that are needed to address specific characteristics of individual nanotubes and nanotube polymer-matrix interfaces. Classical molecular dynamics simulations are shown to be sufficient to describe the generic behavior such as strength and stiffness modulus but are inadequate to describe elastic limit and nature of plastic buckling at large strength. Quantum molecular dynamics simulations are shown to bring out explicit atomic nature dependent behavior of these nanoscale materials objects that are not accessible either via continuum mechanics based descriptions or through classical molecular dynamics based simulations. As examples, we discus local plastic collapse of carbon nanotubes under axial compression and anisotropic plastic buckling of boron-nitride nanotubes. Dependence of the yield strain on the strain rate is addressed through temperature dependent simulations, a transition-state-theory based model of the strain as a function of strain rate and simulation temperature is presented, and in all cases extensive comparisons are made with experimental observations. Mechanical properties of nanotube-polymer composite materials are simulated with diverse nanotube-polymer interface structures (with van der Waals interaction). The atomistic mechanisms of the interface toughening for optimal load transfer through recycling, high-thermal expansion and diffusion coefficient composite formation above glass transition temperature, and enhancement of Young's modulus on addition of nanotubes to polymer are discussed and compared with experimental observations.

Srivastava, Deepak↗

Coherent Mode Decomposition for Kolmogorov Optical Turbulence in a Finite Aperture

An analysis of the coherent mode decomposition of an optical field after propagation through atmospheric turbulence is presented. The coherent modes represent an ideal basis by which to decompose the field for design of mode-limited optical systems. Using the rotational symmetry of the Fredholm integral operator for Kolmogorov optical turbulence, it is shown that the coherent modes exhibit separable solutions classified by radial and azimuthal quantum numbers. The study of the coherent modes is then reduced that of the radial functions determined by the aperture-coherence diameter ratio and obscuration ratio. Analysis of the spectrum of eigenvalues yields sharp bounds on the efficiency of receivers using incoherent or coherent combining with mode-limited photonic devices in the presence of Kolmogorov turbulence. The effective number of modes needed to represent Kolmogorov optical turbulence is studied via the von Neumann entropy, purity, and largest eigenvalue, and the differences in the different definitions is discussed. The similarity of the coherent modes to linearly polarized (LP) fiber modes is quantified yielding a precise characterization of the maximum gain that can be achieved in mode-limited systems via mode shaping techniques. As a final application, a mode sorting technique is presented for optimally splitting power from atmospherically degraded light into a finite number of modes simultaneously maximizing total coupling efficiency and minimizing the average and instantaneous power ratio between channels.

free-space optical communication↗

A computer controlled television detector for light, X-rays and particles

A versatile, high resolution, software configurable, two-dimensional intensified vidicon quantum detector system has been developed for multiple research applications. A thin phosphor convertor allows the detection of X-rays below 20 keV and non-relativistic particles in addition to visible light, and a thicker scintillator can be used to detect X-rays up to 100 keV and relativistic particles. Faceplates may be changed to allow any active area from 1 to 40 mm square, and active areas up to 200 mm square are possible. The image is integrated in a digital memory on any software specified array size up to 4000 x 4000. The array size is selected to match the spatial resolution, which ranges from 10 to 100 microns depending on the operating mode, the active area, and the photon or particle energy. All scan and data acquisition parameters are under software control to allow optimal data collection for each application.

Kalata, K.↗