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At least 937 records · Page 52

Tuned and screened range-separated hybrid density functional theory for describing electronic and optical properties of defective gallium nitride

We apply a hybrid density functional theory approach, based on a tuned and screened range-separated hybrid (SRSH) exchange-correlation functional, to describe the optoelectronic properties of defective gallium nitride (GaN). SRSH and time-dependent SRSH (TDSRSH) are tuned to produce accurate energetics for the pristine material and applied to the study of a series of point defects in bulk GaN, a blue light-emitting material that degrades in the presence of defects. We first establish the accuracy of the method by comparing the predicted quasiparticle gap and low-energy excitation spectra of (TD)SRSH and many-body perturbation theory for both pristine GaN and GaN containing a single nitrogen vacancy. Aided by the reduced computational cost of (TD)SRSH, we then report on three additional technologically relevant point defects and defect complexes in GaN: the gallium vacancy, the carbon interstitial, and the carbon-silicon complex. We compute the low-energy optical absorption spectra for these defects and show the presence of defect-centered transitions. Furthermore, by estimating the Stokes shift, we predict, in agreement with previous studies, that the carbon substitutional defect is a candidate for the detrimental yellow luminescence in GaN. Furthermore, this study indicates that TDSRSH is a promising and computationally feasible approach for quantitatively accurate, first-principles modeling of defective semiconductors.

36 MATERIALS SCIENCE↗

A new method for multi-bit and qudit transfer based on commensurate waveguide arrays

The faithful state transfer is an important requirement in the construction of classical and quantum computers. While the high-speed transfer is realized by optical-fibre interconnects, its implementation in integrated optical circuits is affected by cross-talk. The cross-talk between densely packed optical waveguides limits the transfer fidelity and distorts the signal in each channel, thus severely impeding the parallel transfer of states such as classical registers, multiple qubits and qudits. Here, we leverage on the suitably engineered cross-talk between waveguides to achieve the parallel transfer on optical chip. Waveguide coupling coefficients are designed to yield commensurate eigenvalues of the array and hence, periodic revivals of the input state. While, in general, polynomially complex, the inverse eigenvalue problem permits analytic solutions for small number of waveguides. We present exact solutions for arrays of up to nine waveguides and use them to design realistic buses for multi-(qu)bit and qudit transfer. Advantages and limitations of the proposed solution are discussed in the context of available fabrication techniques.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Innovative, Inexpensive Etching Technique Developed for Polymer Electro- Optical Structures

Electro-optic, polymer-based integrated optic devices for high-speed communication and computing applications offer potentially significant advantages over conventional inorganic electro-optic crystals. One key area of integrated optical technology--primary processing and fabrication--may particularly benefit from the use of polymer materials. However, as efforts concentrate on the miniaturization of electro-integrated circuit pattern geometries, the ability to etch fine features and smoothly sloped sidewalls is essential to make polymers useful for electro-integrated circuit applications. There are many existing processes available to etch polymer materials, but they all yield nearly vertical sidewalls. Vertical sidewalls are too difficult to reliably cover with a metal layer, and incomplete metalization degrades microwave performance, particularly at high frequency. However, obtaining a very sloped sidewall greatly improves the deposition of metal on the sidewall, leading to low-loss characteristics, which are essential to integrating these devices in highspeed electro-optic modulators. The NASA Lewis Research Center has developed in-house an inexpensive etching technique that uses a photolithography method followed by a simple, wet chemical etching process to etch through polymer layers. In addition to being simpler and inexpensive, this process can be used to fabricate smoothly sloped sidewalls by using a commercial none rodible mask: Spin-On-Glass. A commercial transparent material, Spin-On-Glass, uses processes and equipment similar to that for photoresist techniques.

Nguyen, Hung D.↗

Advancing the fundamental understanding and scale-up of TRISO fuel coaters via advanced measurement and computational techniques

Tri-isotropic (TRISO) fuel particle coating is critical for the future use of nuclear energy produced byadvanced gas reactors (AGRs). The fuel kernels are coated using chemical vapor deposition in a spouted fluidized bed. The challenges encountered in operating TRISO fuel coaters are due to the fact that in modern AGRs, such as High Temperature Gas Reactors (HTGRs), the acceptable level of defective/failed coated particles is essentially zero. This specification requires processes that produce coated spherical particles with even coatings having extremely low defect fractions. Unfortunately, the scale-up and design of the current processes and coaters have been based on empirical approaches and are operated as black boxes. Hence, a voluminous amount of experimental development and trial and error work has been conducted. It has been clearly demonstrated that the quality of the coating applied to the fuel kernels is impacted by the hydrodynamics, solids flow field, and flow regime characteristics of the spouted bed coaters, which themselves are influenced by design parameters and operating variables. Further complicating the outlook for future fuel-coating technology and nuclear energy production is the fact that a variety of new concepts will involve fuel kernels of different sizes and with compositions of different densities. Therefore, without a fundamental understanding the underlying phenomena of the spouted bed TRISO coater, a significant amount of effort is required for production of each type of particle with a significant risk of not meeting the specifications. This difficulty will significantly and negatively impact the applications of AGRs for power generation and cause further challenges to them as an alternative source of commercial energy production. Accordingly, the proposed work seeks to overcome such hurdles and advance the scale-up, design, and performance of TRISO fuel particle spouted bed coaters. The overall objectives of the proposed work are to advance the fundamental understanding of the hydrodynamics by systematically investigating the effect of design and operating variables, to evaluate the reported dimensionless groups as scaling factors, and to establish a reliable scale-up methodology for the TRISO fuel particle spouted bed coaters based on hydrodynamic similarity via advanced measurement and computational techniques. An additional objective is to develop an on-line non-invasive measurement technique based on gamma ray densitometry (i.e. Nuclear Gauge Densitometry) that can be installed and used for coater process monitoring to ensure proper performance and operation and to facilitate the developed scale-up methodology. To achieve the objectives set for the project, the work will use optical probes and gamma ray computed tomography (CT) (for the measurements of solids/voidage holdup cross-sectional distribution and radial profiles along the bed height, spouted diameter, and fountain height) and radioactive particle tracking (RPT) (for the measurements of the 3D solids flow field, velocity, turbulent parameters, circulation time, solids lagrangian trajectories, and many other of spouted bed related hydrodynamic parameters). In addition, gas dynamic measurement techniques and pressure transducers will be utilized to complement the obtained information. The measurements obtained by these techniques will be used as benchmark data to evaluate and validate the computational fluid dynamic (CFD) models (two fluid model or discrete particle model) and their closures. The validated CFD models and closures will be used to facilitate the developed methodology for scale-up, design and hydrodynamic similarity. Successful execution of this work and the proposed tasks will advance the fundamental understanding of the coater flow field and quantify it for proper and safe design, scale-up, and performance. Such achievements will overcome the barriers to AGR applications and will help assure that the US maintains nuclear energy as a feasible option to meet the nation's needs for energy and environmental safety. In addition, the outcome of the proposed study will have a broader impact on other processes that utilize spouted beds, such as coal gasification, granulation, drying, catalytic reactions, etc.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fabrication, Metrology and Modeling of the Space-Based Lidar Telescope for SPARCLE

Over the past 7 years, NASA Marshall Space Flight Center (MSFC) through the Global Hydrology and Climate Center (GHCC) has been working; in collaboration with the University of Alabama in Huntsville (UAH) Center for Applied Optics (CAO), and others; towards demonstrating a solid state coherent Doppler lidar instrument for space-based global measurement of atmospheric winds. The Space Readiness Coherent Lidar Experiment (SPARCLE) was selected by NASA's New Millennium Program to demonstrate the feasibility and technology readiness of space-based coherent wind lidar. The CAO was responsible for the design, development, integration, and testing of the SPARCLE optical system. Operating at 2-micron wavelength, SPARCLE system performance is dominated by the optical quality of the transmitter/receiver optical system. The stringent optical performance requirements coupled with the demanding physical and environmental constraints of a space-based instrument necessitate extensive characterization of the telescope optical performance that is critical to predicting the lidar system efficiency and operation in space. Individual components have been measured prior to assembly and compared to the designed specifications. Based on the individual components, the telescope design was optimized to produce a suitable telescope. Once the telescope is completed, it will be tested and evaluated and the data shall be used to anchor computer based models of the optical system. Commercial optical modeling codes were used to evaluate the performance of the telescope under a variety of anticipated on-orbit environments and will eventually be compared to environmental tests conducted in the course of qualifying the telescope for flight. Detailed analysis using the "as built" data will help to reduce uncertainties within the lidar system model and will increase the accuracy of the lidar performance predictions.

Peters, Bruce R.↗

Marshall Space Flight Center's Tower Vector Magnetograph: Upgrades, Hardware, and Operations for the HESSI Mission

The Marshall Space Flight Center's (MSFC) solar group announces the successful upgrade of our tower vector magnetograph. In operation since 1973, the last major alterations to the system (which includes telescope, filter, polarizing optics, camera, and data acquisition computer) were made in 1982, when we upgraded from an SEC Vidicon camera to a CCD. In 1985, other changes were made which increased the field-of-view from 5 x 5 arc min (2.4 arc sec per pixel) to 6 x 6 arc min with a resolution of 2.81 arc sec. In 1989, the Apollo Telescope Mount H-alpha telescope was coaligned with the optics of the magnetograph. The most recent upgrades (year 2000), funded to support the High Energy Solar Spectroscopic Imager (HESSI) mission, have resulted in a pixel size of 0.64 arc sec over a 7 x 5.2 arc min field-of-view (binning 1x1). This poster describes the physical characteristics of the new system and compares spatial resolution, timing, and versatility with the old system. Finally, we provide a description of our Internet web site, which includes images of our most recent observations, and links to our data archives, as well as the history of magnetography at MSFC and education outreach pages.

Adams, M. L.↗

High-Q cavity interface for color centers in thin film diamond

Quantum information technology offers the potential to realize unprecedented computational resources via secure channels distributing entanglement between quantum computers. Diamond, as a host to optically-accessible spin qubits, is a leading platform to realize quantum memory nodes needed to extend such quantum links. Photonic crystal (PhC) cavities enhance light-matter interaction and are essential for an efficient interface between spins and photons that are used to store and communicate quantum information respectively. Here, we demonstrate one- and two-dimensional PhC cavities fabricated in thin-film diamonds, featuring quality factors (Q) of 1.8 × 10 5 and 1.6 × 10 5 , respectively, the highest Qs for visible PhC cavities realized in any material. Importantly, our fabrication process is simple and high-yield, based on conventional planar fabrication techniques, in contrast to the previous with complex undercut processes. We also demonstrate fiber-coupled 1D PhC cavities with high photon extraction efficiency, and optical coupling between a single SiV center and such a cavity at 4 K achieving a Purcell factor of 18. The demonstrated photonic platform may fundamentally improve the performance and scalability of quantum nodes and expedite the development of related technologies.

97 MATHEMATICS AND COMPUTING↗

Solution of relativistic quantum optics problems using clusters of graphical processing units

Numerical solution of relativistic quantum optics problems requires high performance computing due to the rapid oscillations in a relativistic wavefunction. Clusters of graphical processing units are used to accelerate the computation of a time dependent relativistic wavefunction in an arbitrary external potential. The stationary states in a Coulomb potential and uniform magnetic field are determined analytically and numerically, so that they can used as initial conditions in fully time dependent calculations. Relativistic energy levels in extreme magnetic fields are recovered as a means of validation. The relativistic ionization rate is computed for an ion illuminated by a laser field near the usual barrier suppression threshold, and the ionizing wavefunction is displayed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optical Addressing And Clocking Of RAM's

Proposed random-access-memory (RAM) addressing system, in which memory linked optically to read/write logic circuits, greatly increases computer operating speed. System - comprises addressing circuits including numerous lasers as signal sources, numerous optical gates including optical detectors associated with memory cells, and holographic element to direct light signals to desired memory-cell locations - applied to high-capacity digital systems, supercomputers, and complex microcircuits.

Johnston, Alan R.↗

Continuous and Time-Domain Coherent Signal Conversion between Optical and Microwave Frequencies

A quantum network consisting of computational nodes connected by high-fidelity communication channels could expand information-processing capabilities significantly beyond those of classical networks. Superconducting qubits hold promise for scalable and high-fidelity quantum computation at microwave frequencies but must operate in an isolated cryogenic environment, obviating the potential for practical long-range communication. Quantum communication has, however, been demonstrated with optical photons. A fast efficient quantum-coherent interface between superconducting qubits and optical photons would provide a key resource for a large-scale quantum network or distributed quantum computer. Here, we describe the design and experimental operation of a device incorporating a silicon optomechanical nanobeam combined with an aluminum-nitride-based electromechanical transducer. We experimentally demonstrate classical continuous-wave operation of this device at room temperature with external conversion efficiencies of (2.5 +/- 0.4) x 10 -5 (microwave to optical) and (3.8 +/- 0.4) x 10 -5 (optical to microwave), corresponding to internal efficiencies of 2.4% and 3.7%, respectively. Finally, this device also has a larger bandwidth than previous efficient microwave-optical transducers, allowing us to operate in the time domain with 20-ns pulses.

74 ATOMIC AND MOLECULAR PHYSICS↗

Optical signatures of bulk and solutions of KC{sub 8} and KC{sub 24}

We first performed an analysis of the shape of the Raman features of potassium-intercalated graphite at stage 1 (KC{sub 8} GIC) and 2 (KC{sub 24} GIC), respectively. By varying the excitation energy from ultraviolet to infrared, we observed a sign change of the Fano coupling factor below and above the optical transition related to the shift of the Fermi level which was determined from first principle calculations. This behavior is explained by a sign change in the Raman scattering amplitude of the electronic continuum. The GICs were then dissolved in two different solvents (N-Methyl-2-pyrrolidone and tetrahydrofuran), and the absorbance of the graphenide solutions obtained was measured in the UV range. Two peaks were observed which correspond to the maximum of the computed imaginary part of the optical index.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Mass transfer across combustion gas thermal boundary layers - Power production and materials processing implications

The effects of Soret diffusion (for vapors) and thermophoresis (for particles) are illustrated using recent optical experiments and boundary layer computations. Mass transfer rate augmentations of up to a factor of 1000 were observed and predicted for submicron-particle capture by cooled solid surfaces, while mass transfer suppressions of more than 10 to the -10th-fold were predicted for 'overheated' surfaces. It is noted that the results obtained are of interest in connection with such technological applications as fly-ash capture in power generation equipment and glass droplet deposition in optical-waveguide manufacture.

Rosner, D. E.↗

Use of calibration maneuvers for improved performance of strapdown attitude reference systems

Conventional strapdown configurations require precise knowledge of the orientation of the gyro input axes as well as a moderately large, fast computer to provide inertial attitude. This paper presents the mechanization and discusses the operation and performance of an omnidirectional, strapdown pointing control system called All Sky Pointer which does not require precise gyro alignment or a sophisticated computer. Errors caused by gyro-optical sensor misalignment, gyro-integrator bias, and scale factor error are compensated for by the use of calibration maneuvers. Control and computation are provided by an electronics package utilizing technology similar to that found in hand-held calculators. Simulation results indicate that sub arc-minute pointing performance is possible and pointing errors are reduced by as much as an order of magnitude compared with uncompensated systems.

Lorell, K. R.↗

Optical figure testing of prototype mirrors for JPL's Precision Segmented Reflector (PSR) program

JPL's PSR program is developing enabling technologies for large space telescopes employing segmented optics, and in particular, lightweight, thermally stable mirrors for telescopes operating at sub-mm wavelengths. JPL's vacuum cryointerferometric optical test facility includes a computer-controlled phase shifting interferometer operating at 10.59 microns and laser metrology for measurement of piston and absolute radius of curvature. The optical metrology has been integrated with a large vacuum chamber including a liquid nitrogen shroud capable of radiatively cooling 1.5 meter aperture mirrors down to 150 K. The facility is now being used to characterize prototype mirrors in both their room-temperature 'as-replicated' condition, and under orbital temperature conditions. The performance and limitations of the optical metrology hardware and software components are noted. Representative test results on prototype one meter-class composite mirrors being developed for PSR and related ground-based programs are also presented.

Hochberg, Eric B.↗

Implementation and benchmark of a long-range corrected functional in the density functional based tight-binding method

Bridging the gap between first principles methods and empirical schemes, the density functional based tight-binding method (DFTB) has become a versatile tool in predictive atomistic simulations over the past years. One of the major restrictions of this method is the limitation to local or gradient corrected exchange-correlation functionals. This excludes the important class of hybrid or long-range corrected functionals, which are advantageous in thermochemistry, as well as in the computation of vibrational, photoelectron, and optical spectra. The present work provides a detailed account of the implementation of DFTB for a long-range corrected functional in generalized Kohn-Sham theory. We apply the method to a set of organic molecules and compare ionization potentials and electron affinities with the original DFTB method and higher level theory. The new scheme cures the significant overpolarization in electric fields found for local DFTB, which parallels the functional dependence in first principles density functional theory (DFT). At the same time, the computational savings with respect to full DFT calculations are not compromised as evidenced by numerical benchmark data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Real-time Detection of Moving Objects from Moving Vehicles Using Dense Stereo and Optical Flow

Dynamic scene perception is very important for autonomous vehicles operating around other moving vehicles and humans. Most work on real-time object tracking from moving platforms has used sparse features or assumed flat scene structures. We have recently extended a real-time. dense stereo system to include realtime. dense optical flow, enabling more comprehensive dynamic scene analysis. We describe algorithms to robustly estimate 6-DOF robot egomotion in the presence of moving objects using dense flow and dense stereo. We then use dense stereo and egomotion estimates to identify other moving objects while the robot itself is moving. We present results showing accurate egomotion estimation and detection of moving people and vehicles under general 6DOF motion of the robot and independently moving objects. The system runs at 18.3 Hz on a 1.4 GHz Pentium M laptop. computing 160x120 disparity maps and optical flow fields, egomotion, and moving object segmentation. We believe this is a significant step toward general unconstrained dynamic scene analysis for mobile robots, as well as for improved position estimation where GPS is unavailable.

moving object detection↗

Real-time detection of moving objects from moving vehicles using dense stereo and optical flow

Dynamic scene perception is very important for autonomous vehicles operating around other moving vehicles and humans. Most work on real-time object tracking from moving platforms has used sparse features or assumed flat scene structures. We have recently extended a real-time, dense stereo system to include real-time, dense optical flow, enabling more comprehensive dynamic scene analysis. We describe algorithms to robustly estimate 6-DOF robot egomotion in the presence of moving objects using dense flow and dense stereo. We then use dense stereo and egomotion estimates to identity other moving objects while the robot itself is moving. We present results showing accurate egomotion estimation and detection of moving people and vehicles under general 6-DOF motion of the robot and independently moving objects. The system runs at 18.3 Hz on a 1.4 GHz Pentium M laptop, computing 160x120 disparity maps and optical flow fields, egomotion, and moving object segmentation. We believe this is a significant step toward general unconstrained dynamic scene analysis for mobile robots, as well as for improved position estimation where GPS is unavailable.

egomotion↗