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At least 793 records · Page 44

Alloy Design Workbench-Surface Modeling Package Developed

NASA Glenn Research Center's Computational Materials Group has integrated a graphical user interface with in-house-developed surface modeling capabilities, with the goal of using computationally efficient atomistic simulations to aid the development of advanced aerospace materials, through the modeling of alloy surfaces, surface alloys, and segregation. The software is also ideal for modeling nanomaterials, since surface and interfacial effects can dominate material behavior and properties at this level. Through the combination of an accurate atomistic surface modeling methodology and an efficient computational engine, it is now possible to directly model these types of surface phenomenon and metallic nanostructures without a supercomputer. Fulfilling a High Operating Temperature Propulsion Components (HOTPC) project level-I milestone, a graphical user interface was created for a suite of quantum approximate atomistic materials modeling Fortran programs developed at Glenn. The resulting "Alloy Design Workbench-Surface Modeling Package" (ADW-SMP) is the combination of proven quantum approximate Bozzolo-Ferrante-Smith (BFS) algorithms (refs. 1 and 2) with a productivity-enhancing graphical front end. Written in the portable, platform independent Java programming language, the graphical user interface calls on extensively tested Fortran programs running in the background for the detailed computational tasks. Designed to run on desktop computers, the package has been deployed on PC, Mac, and SGI computer systems. The graphical user interface integrates two modes of computational materials exploration. One mode uses Monte Carlo simulations to determine lowest energy equilibrium configurations. The second approach is an interactive "what if" comparison of atomic configuration energies, designed to provide real-time insight into the underlying drivers of alloying processes.

Abel, Phillip B.↗

Third-order nonlinearities in molecular hydrogen - Two-photon resonance enhanced third-harmonic generation and Raman scattering

Effects of quantum mechanical interferences on third-order susceptibilities in molecules are studied. First principle calculations for molecular hydrogen are presented and shown to agree with results derived from experimental stimulated Raman gain and spontaneous Raman cross-section data. 10 percent third-harmonic conversion efficiency in H2 at 1 atm without phase matching should require a 150 MW per sq cm at 4.81 microns. As little as 5.9-MW power is sufficient when the beam is properly focused. Resonance Raman scattering (RRS) is proposed for experimentally investigating the interference effects, which tend to reduce the strength of third-order nonlinear susceptibilities.

Pan, C.-L.↗

Analysis of Electrical Characteristics of Thin Film Photovoltaic Cells

Solar energy is the most abundant form of energy in many terrestrial and extraterrestrial environments. Often in extraterrestrial environments sunlight is the only readily available form of energy. Thus the ability to efficiently harness solar energy is one of the ultimate goals in the design of space power systems. The essential component that converts solar energy into electrical energy in a solar energy based power system is the photovoltaic cell. Traditionally, photovoltaic cells are based on a single crystal silicon absorber. While silicon is a well understood technology and yields high efficiency, there are inherent disadvantages to using single crystal materials. The requirements of weight, large planar surfaces, and high manufacturing costs make large silicon cells prohibitively expensive for use in certain applications. Because of silicon s disadvantages, there is considerable ongoing research into alternative photovoltaic technologies. In particular, thin film photovoltaic technologies exhibit a promising future in space power systems. While they are less mature than silicon, the better radiation hardness, reduced weight, ease of manufacturing, low material cost, and the ability to use virtually any exposed surface as a substrate makes thin film technologies very attractive for space applications. The research group lead by Dr. Hepp has spent several years researching copper indium disulfide as an absorber material for use in thin film photovoltaic cells. While the group has succeeded in developing a single source precursor for CuInS2 as well as a unique method of aerosol assisted chemical vapor deposition, the resulting cells have not achieved adequate efficiencies. While efficiencies of 11 % have been demonstrated with CuInS2 based cells, the cells produced by this group have shown efficiencies of approximately 1 %. Thus, current research efforts are turning towards the analysis of the individual layers of these cells, as well as the junctions between them, to determine the cause of the poor yields. As a student of electrical engineering with some material science background, my role in this research is to develop techniques for analyzing the electrical characteristics of the CuInS2 cells. My first task was to design a shadow mask to be used to place molybdenum contacts under a layer of CuInS;! in order to analyze the contact resistance between the materials. In addition, I have also analyzed evaporated aluminum top contacts and have tested various methods of increasing their thicknesses in order to decrease series resistance. More recently I have worked with other members of the research group in reviving a vertical cold-wall reactor for experimentation with CuInS2 quantum dots. As part of that project, I have improved the design for a variable frequency and pulse width square wave generator to be used in driving the precursor injection process. My task throughout the remainder of my tenure is to continue to analyze and develop tools for the analysis of electrical properties of the CuInS2 cells with the ultimate goal of discovering ways to improve the efficiency of our photovoltaic cells. Traditionally, photovoltaic cells are based on a single crystal silicon absorber. While The research group lead by Dr. Hepp has spent several years researching copper indium

Kasick, Michael P.↗

Kuang's Semi-Classical Formalism for Electron Capture Cross-Sections in Ion-Ion Collisions at Approximately to MeV/amu: Application to ENA Modeling

Recent discovery by STEREO A/B of energetic neutral hydrogen is spurring an interest and need for reliable estimates of electron capture cross sections at few MeVs per nucleon as well as for multi-electron ions. Required accuracy in such estimates necessitates detailed and involved quantum-mechanical calculations or expensive numerical simulations. For ENA modeling and similar purposes, a semi-classical approach offers a middle-ground approach. Kuang's semiclassical formalism to calculate electron-capture cross sections for single and multi-electron ions is an elegant and efficient method, but has so far been applied to limited and specific laboratory measurements and at somewhat lower energies. Our goals are to test and extend Kuang s method to all ion-atom and ion-ion collisions relevant to ENA modeling, including multi-electron ions and for K-shell to K-shell transitions.

Barghouty, A. F.↗

Limits on Achievable Dimensional and Photon Efficiencies with Intensity-Modulation and Photon-Counting Due to Non-Ideal Photon-Counter Behavior

An ideal intensity-modulated photon-counting channel can achieve unbounded photon information efficiencies (PIEs). However, a number of limitations of a physical system limit the practically achievable PIE. In this paper, we discuss several of these limitations and illustrate their impact on the channel. We show that, for the Poisson channel, noise does not strictly bound PIE, although there is an effective limit, as the dimensional information efficiency goes as e[overline] e PIE beyond a threshold PIE. Since the Holevo limit is bounded in the presence of noise, this illustrates that the Poisson approximation is invalid at large PIE for any number of noise modes. We show that a finite transmitter extinction ratio bounds the achievable PIE to a maximum that is logarithmic in the extinction ratio. We show how detector jitter limits the ability to mitigate noise in the PPM signaling framework. We illustrate a method to model detector blocking when the number of detectors is large, and illustrate mitigation of blocking with spatial spreading and altering. Finally, we illustrate the design of a high photon efficiency system using state-of-the-art photo-detectors and taking all these effects into account.

quantum limited communications↗

Monolithic Arrays of Grating-Surface-Emitting Diode Lasers and Quantum Well Modulators for Optical Communications

The electro-optic switching properties of injection-coupled coherent 2-D grating-surface-emitting laser arrays with multiple gain sections and quantum well active layers are discussed and demonstrated. Within such an array of injection-coupled grating-surface-emitting lasers, a single gain section can be operated as intra-cavity saturable loss element that can modulate the output of the entire array. Experimental results demonstrate efficient sub-nanosecond switching of high power grading-surface-emitting laser arrays by using only one gain section as an intra-cavity loss modulator.

Carlson, N. W.↗

Terahertz Schottky Multiplier Sources

This viewgraph presentation reviews the multiplier source technologies and the status/Performance of THz multiplier sources. An example of a THz application is imaging radar. The presentation reviews areas of requirements for THz sources: (1) Figures of merit, (i.e., Frequency Terahertz for high resolution Bandwidth of at least 15 GHz for high range resolution Efficiency (i.e., minimize power supply requirements) (2) Output power: (i.e., Milliwatts below 800 GHz, 10s of microwatts above 1 THz, 1-2 microwatts near 2 THz (3) Mechanical--stability, compact, low mass (4) Environmental -- radiation, vibration, thermal. Several sources for 0.3 - 2 THz are reviewed: FIR lasers, quantum cascade lasers (QCL), backward-wave oscillator (BWO), and Multiplier sources. The current state of the art (SoA) is shown as Substrateless Technology. It also shows where the SoA is for devices beyond 1 THz. The presentation concludes by reviewing the options for future development, and 2 technology roadmaps

submillimeter wave↗

Functional nanocomposites prepared by self-assembly and polymerization of diacetylene surfactants and silicic acid

Conjugated polymer/silica nanocomposites with hexagonal, cubic, or lamellar mesoscopic order were synthesized by self-assembly using polymerizable amphiphilic diacetylene molecules as both structure-directing agents and monomers. The self-assembly procedure is rapid and incorporates the organic monomers uniformly within a highly ordered, inorganic environment. By tailoring the size of the oligo(ethylene glycol) headgroup of the diacetylene-containing surfactant, we varied the resulting self-assembled mesophases of the composite material. The nanostructured inorganic host altered the diacetylene polymerization behavior, and the resulting nanocomposites show unique thermo-, mechano-, and solvatochromic properties. Polymerization of the incorporated surfactants resulted in polydiacetylene (PDA)/silica nanocomposites that were optically transparent and mechanically robust. Molecular modeling and quantum calculations and (13)C spin-lattice relaxation times (T(1)) of the PDA/silica nanocomposites indicated that the surfactant monomers can be uniformly organized into precise spatial arrangements prior to polymerization. Nanoindentation and gas transport experiments showed that these nanocomposite films have increased hardness and reduced permeability as compared to pure PDA. Our work demonstrates polymerizable surfactant/silica self-assembly to be an efficient, general approach to the formation of nanostructured conjugated polymers. The nanostructured inorganic framework serves to protect, stabilize, and orient the polymer, mediate its performance, and provide sufficient mechanical and chemical stability to enable integration of conjugated polymers into devices and microsystems.

NASA Discipline Life Support Systems↗

NASA Tech Briefs, January 2003

Topics covered include: Optoelectronic Tool Adds Scale Marks to Photographic Images; Compact Interconnection Networks Based on Quantum Dots; Laterally Coupled Quantum-Dot Distributed-Feedback Lasers; Bit-Serial Adder Based on Quantum Dots; Stabilized Fiber-Optic Distribution of Reference Frequency; Delay/Doppler-Mapping GPS-Reflection Remote-Sensing System; Ladar System Identifies Obstacles Partly Hidden by Grass; Survivable Failure Data Recorders for Spacecraft; Fiber-Optic Ammonia Sensors; Silicon Membrane Mirrors with Electrostatic Shape Actuators; Nanoscale Hot-Wire Probes for Boundary-Layer Flows; Theodolite with CCD Camera for Safe Measurement of Laser-Beam Pointing; Efficient Coupling of Lasers to Telescopes with Obscuration; Aligning Three Off-Axis Mirrors with Help of a DOE; Calibrating Laser Gas Measurements by Use of Natural CO2; Laser Ranging Simulation Program; Micro-Ball-Lens Optical Switch Driven by SMA Actuator; Evaluation of Charge Storage and Decay in Spacecraft Insulators; Alkaline Capacitors Based on Nitride Nanoparticles; Low-EC-Content Electrolytes for Low-Temperature Li-Ion Cells; Software for a GPS-Reflection Remote-Sensing System; Software for Building Models of 3D Objects via the Internet; "Virtual Cockpit Window" for a Windowless Aerospacecraft; CLARAty Functional-Layer Software; Java Library for Input and Output of Image Data and Metadata; Software for Estimating Costs of Testing Rocket Engines; Energy-Absorbing, Lightweight Wheels; Viscoelastic Vibration Dampers for Turbomachine Blades; Soft Landing of Spacecraft on Energy-Absorbing Self-Deployable Cushions; Pneumatically Actuated Miniature Peristaltic Vacuum Pumps; Miniature Gas-Turbine Power Generator; Pressure-Sensor Assembly Technique; Wafer-Level Membrane-Transfer Process for Fabricating MEMS; A Reactive-Ion Etch for Patterning Piezoelectric Thin Film; Wavelet-Based Real-Time Diagnosis of Complex Systems; Quantum Search in Hilbert Space; Analytic Method for Computing Instrument Pointing Jitter; and Semiselective Optoelectronic Sensors for Monitoring Microbes.

Source record↗

Development of N/P AlGaAs free-standing top solar cells for tandem applications

The combination of a free standing AlGaAs top solar cell and an existing bottom solar cell is the highest performance, lowest risk approach to implementing the tandem cell concept. The solar cell consists of an AlGaAs substrate layer, an AlGaAs base layer, an AlGaAs emitter, and an ultra-thin AlGaAs window layer. The window layer is compositionally graded which minimizes reflection at the window layer/emitter interface and creates a built-in electric field to improve quantum response in the blue region of the spectrum. Liquid phase epitaxy (LPE) is the only viable method to produce this free standing top solar cell. Small (0.125 sq cm), transparent p/n AlGaAs top solar cells were demonstrated with optimum bandgap for combination with a silicon bottom solar cell. The efficiency of an AlGaAs/Si stack using the free standing AlGaAs device upon an existing silicon bottom solar cell is 24 pct. (1X, Air Mass Zero (AM0). The n/p AlGaAs top solar cell is being developed in order to facilitate the wiring configuration. The two terminal tandem stack will retain fit, form, and function of existing silicon solar cells. Progress in the development of large area (8 and 16 sq cm), free standing AlGaAs top solar cells is discussed.

Negley, Gerald H.↗

Single Spatial-Mode Room-Temperature-Operated 3.0 to 3.4 micrometer Diode Lasers

Compact, highly efficient, 3.0 to 3.4 m light emitters are in demand for spectroscopic analysis and identification of chemical substances (including methane and formaldehyde), infrared countermeasures technologies, and development of advanced infrared scene projectors. The need for these light emitters can be currently addressed either by bulky solid-state light emitters with limited power conversion efficiency, or cooled Interband Cascade (IC) semiconductor lasers. Researchers here have developed a breakthrough approach to fabrication of diode mid-IR lasers that have several advantages over IC lasers used for the Mars 2009 mission. This breakthrough is due to a novel design utilizing the strain-engineered quantum-well (QW) active region and quinternary barriers, and due to optimization of device material composition and growth conditions (growth temperatures and rates). However, in their present form, these GaSb-based laser diodes cannot be directly used as a part of sensor systems. The device spectrum is too broad to perform spectroscopic analysis of gas species, and operating currents and voltages are too high. In the current work, the emitters were fabricated as narrow-ridge waveguide index-guided lasers rather than broad stripe-gain guided multimode Fabry-Perot (FP) lasers as was done previously. These narrow-ridge waveguide mid-IR lasers exhibit much lower power consumptions, and can operate in a single spatial mode that is necessary for demonstration of single-mode distributed feedback (DBF) devices for spectroscopic applications. These lasers will enable a new generation of compact, tunable diode laser spectrometers with lower power consumption, reduced complexity, and significantly reduced development costs. These lasers can be used for the detection of HCN, C2H2, methane, and ethane.

Frez, Clifford F.↗

Switching and Rectification in Carbon-Nanotube Junctions

Multi-terminal carbon-nanotube junctions are under investigation as candidate components of nanoscale electronic devices and circuits. Three-terminal "Y" junctions of carbon nanotubes (see Figure 1) have proven to be especially interesting because (1) it is now possible to synthesize them in high yield in a controlled manner and (2) results of preliminary experimental and theoretical studies suggest that such junctions could exhibit switching and rectification properties. Following the preliminary studies, current-versus-voltage characteristics of a number of different "Y" junctions of single-wall carbon nanotubes connected to metal wires were computed. Both semiconducting and metallic nanotubes of various chiralities were considered. Most of the junctions considered were symmetric. These computations involved modeling of the quantum electrical conductivity of the carbon nanotubes and junctions, taking account of such complicating factors as the topological defects (pentagons, heptagons, and octagons) present in the hexagonal molecular structures at the junctions, and the effects of the nanotube/wire interfaces. A major component of the computational approach was the use of an efficient Green s function embedding scheme. The results of these computations showed that symmetric junctions could be expected to support both rectification and switching. The results also showed that rectification and switching properties of a junction could be expected to depend strongly on its symmetry and, to a lesser degree, on the chirality of the nanotubes. In particular, it was found that a zigzag nanotube branching at a symmetric "Y" junction could exhibit either perfect rectification or partial rectification (asymmetric current-versus-voltage characteristic, as in the example of Figure 2). It was also found that an asymmetric "Y" junction would not exhibit rectification.

Srivastava, Deepak↗

Investigations of Relatively Easy To Construct Antennas With Efficiency in Receiving Schumann Resonances: Preparations for a Miniaturized Reconfigurable ELF Receiver

Relatively little is known about the cavity between the Earth and the ionosphere, which opens opportunities for technological advances and unique ideas. One effective means to study this cavity is with extremely low frequency (ELF) antennas. Possible applications of these antennas are global weather prediction, earthquake prediction, planetary exploration, communication, wireless transmission of power, or even a free energy source. The superconducting quantum interference device SQUID) and the coil antenna are the two most acceptable receivers discovered for picking up ELF magnetic fields. Both antennas have the potential for size reduction, allowing them to be portable enough for access to space and even for personal ware. With improvements of these antennas and signal processing, insightful analysis of Schumann resonance (SR) can give the science community a band of radio frequency (RF) signals for improving life here on Earth and exploring beyond.

Farmer, Brian W.↗

Summary Abstract: Vibrations of Ammonia on the Cu (100) Surface

Recently, the TR frequencies for NH3 molecularly adsorbed on Cu(100) have been measured by infrared laser-induced photodesorption using a tunable laser operating in the group frequency range. Additionally, photodesorption, photo-fragmentation, and photoionization has been observed using a CO2 laser in the 10 microns range. In this contribution we report on work in progress where we use quantum chemical methods to analyze the shifts in the NH, frequencies relative to the gas phase upon chemisorption. We also compute the Cu- N stretch vibration, which has been observed experimentally,and the change in the IR intensities associated with chemisorption; this change is insufficient by itself to explain the increased photoionization efficiency observed.

Pettersson, Lars G. M.↗

Computational Modeling Method for Superalloys

Computer modeling based on theoretical quantum techniques has been largely inefficient due to limitations on the methods or the computer needs associated with such calculations, thus perpetuating the notion that little help can be expected from computer simulations for the atomistic design of new materials. In a major effort to overcome these limitations and to provide a tool for efficiently assisting in the development of new alloys, we developed the BFS method for alloys, which together with the experimental results from previous and current research that validate its use for large-scale simulations, provide the ideal grounds for developing a computationally economical and physically sound procedure for supplementing the experimental work at great cost and time savings.

Bozzolo, Guillermo↗

NASA Tech Briefs, March 2008

Topics covered include: WRATS Integrated Data Acquisition System; Breadboard Signal Processor for Arraying DSN Antennas; Digital Receiver Phase Meter; Split-Block Waveguide Polarization Twist for 220 to 325 GHz; Nano-Multiplication-Region Avalanche Photodiodes and Arrays; Tailored Asymmetry for Enhanced Coupling to WGM Resonators; Disabling CNT Electronic Devices by Use of Electron Beams; Conical Bearingless Motor/Generators; Integrated Force Method for Indeterminate Structures; Carbon-Nanotube-Based Electrodes for Biomedical Applications; Compact Directional Microwave Antenna for Localized Heating; Using Hyperspectral Imagery to Identify Turfgrass Stresses; Shaping Diffraction-Grating Grooves to Optimize Efficiency; Low-Light-Shift Cesium Fountain without Mechanical Shutters; Magnetic Compensation for Second-Order Doppler Shift in LITS; Nanostructures Exploit Hybrid-Polariton Resonances; Microfluidics, Chromatography, and Atomic-Force Microscopy; Model of Image Artifacts from Dust Particles; Pattern-Recognition System for Approaching a Known Target; Orchestrator Telemetry Processing Pipeline; Scheme for Quantum Computing Immune to Decoherence; Spin-Stabilized Microsatellites with Solar Concentrators; Phase Calibration of Antenna Arrays Aimed at Spacecraft; Ring Bus Architecture for a Solid-State Recorder; and Image Compression Algorithm Altered to Improve Stereo Ranging.

Source record↗

A new method for the calculation of photodissociation cross sections

A time-independent quantum mechanical approach to the calculation of photodissociation cross sections is developed. The method is based on the use of a discrete variable representation and the application of absorbing boundary conditions. Both total photodissociation cross sections and partial cross sections (hence product state distributions) are obtained using the same basic technique, but the calculation is particularly efficient when only the former quantity is required. The method is applied to the photodissociation of HCl(+) for which accurate potential energy curves and dipole moment functions are available, to the photodissociation of ClCN which is a direct process, involving a single excited electrosonic state, and to the photodissociation of ICN, which involves several strongly coupled excited electronic states.

Seideman, Tamar↗

Isotopic Effects in Nuclear Fragmentation and GCR Transport Problems

Improving the accuracy of the galactic cosmic ray (GCR) environment and transport models is an important goal in preparing for studies of the projected risks and the efficiency of potential mitigations methods for space exploration. In this paper we consider the effects of the isotopic composition of the primary cosmic rays and the isotopic dependence of nuclear fragmentation cross sections on GCR transport models. Measurements are used to describe the isotopic composition of the GCR including their modulation throughout the solar cycle. The quantum multiple-scattering approach to nuclear fragmentation (QMSFRG) is used as the data base generator in order to accurately describe the odd-even effect in fragment production. Using the Badhwar and O'Neill GCR model, the QMSFRG model and the HZETRN transport code, the effects of the isotopic dependence of the primary GCR composition and on fragment production for transport problems is described for a complete GCR isotopic-grid. The principle finding of this study is that large errors ( 100%) will occur in the mass-flux spectra when comparing the complete isotopic-grid (141 ions) to a reduced isotopic-grid (59 ions), however less significant errors 30%) occur in the elemental-flux spectra. Because the full isotopic-grid is readily handled on small computer work-stations, it is recommended that they be used for future GCR studies.

Cucinotta, Francis A.↗