Electronics reliability fracture mechanics. Volume 2: Fracture mechanics

NASA Astrophysics Data System (ADS)

Kallis, J.; Duncan, L.; Buechler, D.; Backes, P.; Sandkulla, D.

1992-05-01

This is the second of two volumes. The other volume (WL-TR-92-3015) is 'Causes of Failures of Shop Replaceable Units and Hybrid Microcircuits.' The objective of the Electronics Reliability Fracture Mechanics (ERFM) program was to develop and demonstrate a life prediction technique for electronic assemblies, when subjected to environmental stresses of vibration and thermal cycling, based upon the mechanical properties of the materials and packaging configurations which make up an electronic system. The application of fracture mechanics to microscale phenomena in electronic assemblies was a pioneering research effort. The small scale made the experiments very difficult; for example, the 1-mil-diameter bond wires in microelectronic devices are 1/3 the diameter of a human hair. A number of issues had to be resolved to determine whether a fracture mechanics modelling approach is correct for the selected failures; specifically, the following two issues had to be resolved: What fraction of the lifetime is spent in crack initiation? Are macro fracture mechanics techniques, used in large structures such as bridges, applicable to the tiny structures in electronic equipment? The following structural failure mechanisms were selected for modelling: bondwire fracture from mechanical cycling; bondwire fracture from thermal (power) cycling; plated through hole (PTH) fracture from thermal cycling. The bondwire fracture test specimens were A1-1 percent Si wires, representative of wires used in the parts in the modules selected for detailed investigation in this program (see Vol. 1 of this report); 1-mil-diameter wires were tested in this program. The PTH test specimens were sections of 14-layer printed wiring boards of the type used.

Engineering Technology Programs. Preliminary Curriculum Planning Guide.

ERIC Educational Resources Information Center

Center for Occupational Research and Development, Inc., Waco, TX.

Developed as a resource to assist in a major revision underway in Georgia area technical schools to change curricula for preparing engineering technicians, this preliminary program-planning guide describes curriculum structures for specialized programs in three major areas--electronics, electromechanics, and mechanics. The handbook, which is…

QM/MM hybrid calculation of biological macromolecules using a new interface program connecting QM and MM engines

NASA Astrophysics Data System (ADS)

Hagiwara, Yohsuke; Ohta, Takehiro; Tateno, Masaru

2009-02-01

An interface program connecting a quantum mechanics (QM) calculation engine, GAMESS, and a molecular mechanics (MM) calculation engine, AMBER, has been developed for QM/MM hybrid calculations. A protein-DNA complex is used as a test system to investigate the following two types of QM/MM schemes. In a 'subtractive' scheme, electrostatic interactions between QM/MM regions are truncated in QM calculations; in an 'additive' scheme, long-range electrostatic interactions within a cut-off distance from QM regions are introduced into one-electron integration terms of a QM Hamiltonian. In these calculations, 338 atoms are assigned as QM atoms using Hartree-Fock (HF)/density functional theory (DFT) hybrid all-electron calculations. By comparing the results of the additive and subtractive schemes, it is found that electronic structures are perturbed significantly by the introduction of MM partial charges surrounding QM regions, suggesting that biological processes occurring in functional sites are modulated by the surrounding structures. This also indicates that the effects of long-range electrostatic interactions involved in the QM Hamiltonian are crucial for accurate descriptions of electronic structures of biological macromolecules.

i-PI: A Python interface for ab initio path integral molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Ceriotti, Michele; More, Joshua; Manolopoulos, David E.

2014-03-01

Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of these developments requires a considerable programming effort, which has hindered their adoption. Here we describe i-PI, an interface written in Python that has been designed to minimise the effort required to bring state-of-the-art path integral techniques to an electronic structure program. While it is best suited to first principles calculations and path integral molecular dynamics, i-PI can also be used to perform classical molecular dynamics simulations, and can just as easily be interfaced with an empirical forcefield code. To give just one example of the many potential applications of the interface, we use it in conjunction with the CP2K electronic structure package to showcase the importance of nuclear quantum effects in high-pressure water. Catalogue identifier: AERN_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AERN_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: GNU General Public License, version 3 No. of lines in distributed program, including test data, etc.: 138626 No. of bytes in distributed program, including test data, etc.: 3128618 Distribution format: tar.gz Programming language: Python. Computer: Multiple architectures. Operating system: Linux, Mac OSX, Windows. RAM: Less than 256 Mb Classification: 7.7. External routines: NumPy Nature of problem: Bringing the latest developments in the modelling of nuclear quantum effects with path integral molecular dynamics to ab initio electronic structure programs with minimal implementational effort. Solution method: State-of-the-art path integral molecular dynamics techniques are implemented in a Python interface. Any electronic structure code can be patched to receive the atomic coordinates from the Python interface, and to return the forces and energy that are used to integrate the equations of motion. Restrictions: This code only deals with distinguishable particles. It does not include fermonic or bosonic exchanges between equivalent nuclei, which can become important at very low temperatures. Running time: Depends dramatically on the nature of the simulation being performed. A few minutes for short tests with empirical force fields, up to several weeks for production calculations with ab initio forces. The examples provided with the code run in less than an hour.

FY 1978 aeronautics and space technology program summary

NASA Technical Reports Server (NTRS)

1977-01-01

Highlights of the aeronautics program include research on aircraft energy efficiency, supersonic cruise aircraft, vertical takeoff and landing aircraft, short haul/short takeoff and landing aircraft, and general aviation aircraft. The space technology program includes work on space structures, propulsion systems, power systems, materials, and electronics.

Integration of structural health monitoring solutions onto commercial aircraft via the Federal Aviation Administration structural health monitoring research program

NASA Astrophysics Data System (ADS)

Swindell, Paul; Doyle, Jon; Roach, Dennis

2017-02-01

The Federal Aviation Administration (FAA) started a research program in structural health monitoring (SHM) in 2011. The program's goal was to understand the technical gaps of implementing SHM on commercial aircraft and the potential effects on FAA regulations and guidance. The program evolved into a demonstration program consisting of a team from Sandia National Labs Airworthiness Assurance NDI Center (AANC), the Boeing Corporation, Delta Air Lines, Structural Monitoring Systems (SMS), Anodyne Electronics Manufacturing Corp (AEM) and the FAA. This paper will discuss the program from the selection of the inspection problem, the SHM system (Comparative Vacuum Monitoring-CVM) that was selected as the inspection solution and the testing completed to provide sufficient data to gain the first approved use of an SHM system for routine maintenance on commercial US aircraft.

An efficient 3-dim FFT for plane wave electronic structure calculations on massively parallel machines composed of multiprocessor nodes

NASA Astrophysics Data System (ADS)

Goedecker, Stefan; Boulet, Mireille; Deutsch, Thierry

2003-08-01

Three-dimensional Fast Fourier Transforms (FFTs) are the main computational task in plane wave electronic structure calculations. Obtaining a high performance on a large numbers of processors is non-trivial on the latest generation of parallel computers that consist of nodes made up of a shared memory multiprocessors. A non-dogmatic method for obtaining high performance for such 3-dim FFTs in a combined MPI/OpenMP programming paradigm will be presented. Exploiting the peculiarities of plane wave electronic structure calculations, speedups of up to 160 and speeds of up to 130 Gflops were obtained on 256 processors.

Transire, a Program for Generating Solid-State Interface Structures

DTIC Science & Technology

2017-09-14

function-based electron transport property calculator. Three test cases are presented to demonstrate the usage of Transire: the misorientation of the...graphene bilayer, the interface energy as a function of misorientation of copper grain boundaries, and electron transport transmission across the...gallium nitride/silicon carbide interface. 15. SUBJECT TERMS crystalline interface, electron transport, python, computational chemistry, grain boundary

Interfacing the Ab initio multiple spawning method with electronic structure methods in GAMESS: Photodecay of trans-Azomethane

DOE PAGES

Gaenko, Alexander; DeFusco, Albert; Varganov, Sergey A.; ...

2014-10-20

This work presents a nonadiabatic molecular dynamics study of the nonradiative decay of photoexcited trans-azomethane, using the ab initio multiple spawning (AIMS) program that has been interfaced with the General Atomic and Molecular Electronic Structure System (GAMESS) quantum chemistry package for on-the-fly electronic structure evaluation. The interface strategy is discussed, and the capabilities of the combined programs are demonstrated with a nonadiabatic molecular dynamics study of the nonradiative decay of photoexcited trans-azomethane. Energies, gradients, and nonadiabatic coupling matrix elements were obtained with the state-averaged complete active space self-consistent field method, as implemented in GAMESS. The influence of initial vibrational excitationmore » on the outcome of the photoinduced isomerization is explored. Increased vibrational excitation in the CNNC torsional mode shortens the excited state lifetime. Depending on the degree of vibrational excitation, the excited state lifetime varies from ~60–200 fs. As a result, these short lifetimes are in agreement with time-resolved photoionization mass spectroscopy experiments.« less

Electronic materials high-T(sub c) superconductivity polymers and composites structural materials surface science and catalysts industry participation

NASA Technical Reports Server (NTRS)

1988-01-01

The fifth year of the Center for Advanced Materials was marked primarily by the significant scientific accomplishments of the research programs. The Electronics Materials program continued its work on the growth and characterization of gallium arsenide crystals, and the development of theories to understand the nature and distribution of defects in the crystals. The High Tc Superconductivity Program continued to make significant contributions to the field in theoretical and experimental work on both bulk materials and thin films and devices. The Ceramic Processing group developed a new technique for cladding YBCO superconductors for high current applications in work with the Electric Power Research Institute. The Polymers and Composites program published a number of important studies involving atomistic simulations of polymer surfaces with excellent correlations to experimental results. The new Enzymatic Synthesis of Materials project produced its first fluorinated polymers and successfully began engineering enzymes designed for materials synthesis. The structural Materials Program continued work on novel alloys, development of processing methods for advanced ceramics, and characterization of mechanical properties of these materials, including the newly documented characterization of cyclic fatigue crack propagation behavior in toughened ceramics. Finally, the Surface Science and Catalysis program made significant contributions to the understanding of microporous catalysts and the nature of surface structures and interface compounds.

Hyperfine structure parametrisation in Maple

NASA Astrophysics Data System (ADS)

Gaigalas, G.; Scharf, O.; Fritzsche, S.

2006-02-01

In hyperfine structure examinations, routine high resolution spectroscopy methods have to be combined with exact fine structure calculations. The so-called magnetic A and electric B factor of the fine structure levels allow to check for a correct fine structure analysis, to find errors in the level designation, to find new levels and to probe the electron wavefunctions and its mixing coefficients. This is done by parametrisation of these factors into different contributions of the subshell electrons, which are split further into their radial and spin-angular part. Due to the routine with which hyperfine structure measurements are done, a tool for keeping the necessary information together, performing checks online with the experiment and deriving standard quantities is of great help. MAPLE [Maple is a registered trademark of Waterloo Maple Inc.] is a highly-developed symbolic programming language, often referred to as the pocket calculator of the future. Packages for theoretical atomic calculation exist ( RACAH and JUCYS) and the language meets all the requirements to keep and present information accessible for the user in a fast and practical way. We slightly extended the RACAH package [S. Fritzsche, Comput. Phys. Comm. 103 (1997) 51] and set up an environment for experimental hyperfine structure calculations, the HFS package. Supplying the fine structure and nuclear data, one is in the position to obtain information about the hyperfine spectrum, the different contributions to the splitting and to perform a least square fit of the radial parameters based on the semiempirical method. Experimentalist as well as theoretical physicist can do a complete hyperfine structure analysis using MAPLE. Program summaryTitle of program: H FS Catalogue number: ADXD Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXD Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: none Computers for which the program is designed: All computers with a license of the computer algebra package MAPLE Installations: University of Kassel (Germany) Operating systems under which the program has been tested: Linux 9.0 Program language used:MAPLE, Release 7, 8 and 9 Memory required to execute with typical data: 5 MB No. of lines in distributed program, including test data, etc.: 34 300 No. of bytes in distributed program, including test data, etc.: 954 196 Distribution format: tar.gz Nature of the physical problem: Atomic state functions of an many configuration many electron atom with several open shells are defined by a number of quantum numbers, by their coupling and selection rules such as the Pauli exclusion principal or parity conservation. The matrix elements of any one-particle operator acting on these wavefunctions can be analytically integrated up to the radial part [G. Gaigalas, O. Scharf, S. Fritzsche, Central European J. Phys. 2 (2004) 720]. The decoupling of the interacting electrons is general, the obtained submatrix element holds all the peculiarities of the operator in question. These so-called submatrix elements are the key to do hyperfine structure calculations. The interaction between the electrons and the atomic nucleus leads to an additional splitting of the fine structure lines, the hyperfine structure. The leading components are the magnetic dipole interaction defining the so-called A factor and the electric quadrupole interaction, defining the so-called B factor. They express the energetic splitting of the spectral lines. Moreover, they are obtained directly by experiments and can be calculated theoretically in an ab initio approach. A semiempirical approach allows the fitting of the radial parts of the wavefunction to the experimentally obtained A and B factors. Method of solution: Extending the existing csf_LS() and asf_LS() to several open shells and implementing a data structure level_LS() for the fine structure level, the atomic environment is defined in MAPLE. It is used in a general approach to decouple the interacting shells for any one-particle operator. Further submatrix elements for the magnetic dipole and electric quadrupole interaction are implemented, allowing to calculate the A and B factors up to the radial part. Several procedures for standard quantities of the hyperfine structure are defined, too. The calculations are accelerated by using a hyper-geometric approach for three, six and nine symbols. Restrictions onto the complexity of the problem: Only atomic state functions in nonrelativistic LS-coupling with states having l⩽3 are supported. Typical running time: The program replies promptly on most requests. The least square fit depends heavily on the number of levels and can take a few minutes.

Middle Atmosphere Program. Handbook for MAP. Volume 13: Ground-based Techniques

NASA Technical Reports Server (NTRS)

Vincent, R. A. (Editor)

1984-01-01

Topics of activities in the middle Atmosphere program covered include: lidar systems of aerosol studies; mesosphere temperature; upper atmosphere temperatures and winds; D region electron densities; nitrogen oxides; atmospheric composition and structure; and optical sounding of ozone.

How Young Children Learn to Program with Sensor, Action, and Logic Blocks

ERIC Educational Resources Information Center

Wyeth, Peta

2008-01-01

Electronic Blocks are a new programming environment designed specifically for children aged between 3 and 8 years. These physical, stackable blocks include sensor blocks, action blocks, and logic blocks. By connecting these blocks, children can program a wide variety of structures that interact with one another and the environment. Electronic…

Preparing for Electronic Medical Record Implementation: Carolina Care Communication in an Electronic Environment.

PubMed

Carroll, Tracy; Tonges, Mary; Ray, Joel

2017-11-01

This article describes 1 organization's successful approach to mitigating the potential negative effects of a new electronic medical record on patient experience. The Carolina Care model, developed at the University of North Carolina Hospitals to actualize caring theory in practice, helped to structure and greatly facilitate this work. Seven focus areas were integrated to create the "Communication in an Electronic Environment" program with a strong emphasis on nurse-patient communication.

Theoretical research program to study transition metal trimers and embedded clusters

NASA Technical Reports Server (NTRS)

Walch, S. P.

1984-01-01

Small transition metal clusters were studied at a high level of approximation, including all the valence electrons in the calculation and extensive electron correlation, in order to understand the electronic structure of these small metal clusters. By comparison of dimers, trimers, and possibly higher clusters, the information obtained was used to provide insights into the electronic structure of bulk transition metals. Small metal clusters are currently of considerable experimental interest and some information is becomming available both from matrix electron spin resonance studies and from gas phase spectroscopy. Collaboration between theorists and experimentalists is thus expected to be especially profitable at this time since there is some experimental information which can serve to guide the theoretical work.

Microanalytical Efforts in Support of NASA's Materials Science Programs

NASA Technical Reports Server (NTRS)

Gillies, Donald C.

2004-01-01

Following a brief overview of NASA s Microgravity Materials Science programs, specific examples will be given showing electron beam and optical microscopic applications to two-phase glass structures, dendrite tip radii, solid solution semiconductors, undercooled two-phase stainless steels and meteorites.

Simulation of Electron Scattering in Complex Nanostructures: Lithography, Metrology, and Characterization.

NASA Astrophysics Data System (ADS)

Johnson, Sylvester, IV

A CAE (Computer Aided Engineering) tool called SEEL (Simulation of Electron Energy Loss) is described in detail. SEEL simulates in any material the energy loss and trajectories of electrons in the complex, multilayered nanostructures typical of ULSI, at beam energies from 1 to 50 keV. Structures and materials are defined in the input file rather than in the source code of the program, for which flowcharts are included in addition to an explanation of the algorithms implemented. Satisfactory comparisons of simulated with experimental results are made of both secondary electron (SE) and backscattered electron (BSE) linescans across an array of MOS gate structures capped by rough oxide. Many other comparisons are made. The effects of varying line edge slopes on SE linescan peak shape are simulated and analyzed. A data library containing the simulated variation of the FWHM, peak height, and peak location with slope for different materials, line heights or trench depths, widths, beam energies, and nominal diameters could be used to find the edge location relative to the peak for improvement of the accuracy of linewidth measurement algorithms. An investigation indicates that the use of such a library would be complicated by the effect of surface roughness on the SE signal at the edge of a feature. SEEL can be used as the first module in a series of programs that simulate energy deposition in resist structures and correct the exposure of a circuit pattern. Pixel by pixel convolution for prediction of the proximity effect is time-consuming. Another method of proximity effect prediction based on the reciprocity of the RED is described. Such programs could be used to reduce the number of iterations in the lab required to optimize resist structures and exposure parameters. For both smooth and rough interfaces between a bottom layer of PMMA in a multilayer resist structure and a W film, the simulated exposure contrast declines from that with an oxide film beneath the structure. A comparison of Auger peak to background ratios resulting from simulation of smooth and rough surfaces indicates that roughening of an Al surface on a small scale could result in a smaller ratio.

Three-dimensional reconstruction for coherent diffraction patterns obtained by XFEL.

PubMed

Nakano, Miki; Miyashita, Osamu; Jonic, Slavica; Song, Changyong; Nam, Daewoong; Joti, Yasumasa; Tama, Florence

2017-07-01

The three-dimensional (3D) structural analysis of single particles using an X-ray free-electron laser (XFEL) is a new structural biology technique that enables observations of molecules that are difficult to crystallize, such as flexible biomolecular complexes and living tissue in the state close to physiological conditions. In order to restore the 3D structure from the diffraction patterns obtained by the XFEL, computational algorithms are necessary as the orientation of the incident beam with respect to the sample needs to be estimated. A program package for XFEL single-particle analysis based on the Xmipp software package, that is commonly used for image processing in 3D cryo-electron microscopy, has been developed. The reconstruction program has been tested using diffraction patterns of an aerosol nanoparticle obtained by tomographic coherent X-ray diffraction microscopy.

Database and interactive monitoring system for the photonics and electronics of RPC Muon Trigger in CMS experiment

NASA Astrophysics Data System (ADS)

Wiacek, Daniel; Kudla, Ignacy M.; Pozniak, Krzysztof T.; Bunkowski, Karol

2005-02-01

The main task of the RPC (Resistive Plate Chamber) Muon Trigger monitoring system design for the CMS (Compact Muon Solenoid) experiment (at LHC in CERN Geneva) is the visualization of data that includes the structure of electronic trigger system (e.g. geometry and imagery), the way of its processes and to generate automatically files with VHDL source code used for programming of the FPGA matrix. In the near future, the system will enable the analysis of condition, operation and efficiency of individual Muon Trigger elements, registration of information about some Muon Trigger devices and present previously obtained results in interactive presentation layer. A broad variety of different database and programming concepts for design of Muon Trigger monitoring system was presented in this article. The structure and architecture of the system and its principle of operation were described. One of ideas for building this system is use object-oriented programming and design techniques to describe real electronics systems through abstract object models stored in database and implement these models in Java language.

Sharing electronic structure and crystallographic data with ETSF_IO

NASA Astrophysics Data System (ADS)

Caliste, D.; Pouillon, Y.; Verstraete, M. J.; Olevano, V.; Gonze, X.

2008-11-01

We present a library of routines whose main goal is to read and write exchangeable files (NetCDF file format) storing electronic structure and crystallographic information. It is based on the specification agreed inside the European Theoretical Spectroscopy Facility (ETSF). Accordingly, this library is nicknamed ETSF_IO. The purpose of this article is to give both an overview of the ETSF_IO library and a closer look at its usage. ETSF_IO is designed to be robust and easy to use, close to Fortran read and write routines. To facilitate its adoption, a complete documentation of the input and output arguments of the routines is available in the package, as well as six tutorials explaining in detail various possible uses of the library routines. Catalogue identifier: AEBG_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEBG_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Gnu Lesser General Public License No. of lines in distributed program, including test data, etc.: 63 156 No. of bytes in distributed program, including test data, etc.: 363 390 Distribution format: tar.gz Programming language: Fortran 95 Computer: All systems with a Fortran95 compiler Operating system: All systems with a Fortran95 compiler Classification: 7.3, 8 External routines: NetCDF, http://www.unidata.ucar.edu/software/netcdf Nature of problem: Store and exchange electronic structure data and crystallographic data independently of the computational platform, language and generating software Solution method: Implement a library based both on NetCDF file format and an open specification (http://etsf.eu/index.php?page=standardization)

Industrial Arts 7-9. Power/Energy: Electricity/Electronics, Power Mechanics, Power/Energy.

ERIC Educational Resources Information Center

Manitoba Dept. of Education, Winnipeg.

This guide for industrial arts grades 7-9 provides teachers with a curriculum for the subject cluster of power/energy. An "Overview" section presents the rationale, discusses how the content of the program is related to the developmental stages of the adolescent, describes the structure of the industrial arts program, and lists program goals and…

Estimating Relative Positions of Outer-Space Structures

NASA Technical Reports Server (NTRS)

Balian, Harry; Breckenridge, William; Brugarolas, Paul

2009-01-01

A computer program estimates the relative position and orientation of two structures from measurements, made by use of electronic cameras and laser range finders on one structure, of distances and angular positions of fiducial objects on the other structure. The program was written specifically for use in determining errors in the alignment of large structures deployed in outer space from a space shuttle. The program is based partly on equations for transformations among the various coordinate systems involved in the measurements and on equations that account for errors in the transformation operators. It computes a least-squares estimate of the relative position and orientation. Sequential least-squares estimates, acquired at a measurement rate of 4 Hz, are averaged by passing them through a fourth-order Butterworth filter. The program is executed in a computer aboard the space shuttle, and its position and orientation estimates are displayed to astronauts on a graphical user interface.

Space Research and Technology Program: Program and specific objectives, document approval

NASA Technical Reports Server (NTRS)

1982-01-01

A detailed view of the Space Research and Technology program work breakdown structure is provided down to the specific objective level. Goals or objectives at each of these levels are set forth. The specific objective narratives are structured into several parts. First, a short paragraph statement of the specific objective is given. This is followed by a list of subobjectives. A list of targets is then provided for those areas of the specific objective that are amenable to a quantitative description of technical accomplishment and schedule. Fluid and thermal physics, materials and structures, computer science and electronics, space energy conversion, multidisciplinary research, controls and human factors, chemical propulsion, spacecraft systems, transportation systems, platform systems, and spacecraft systems technology comprise the principal research programs.

Electronic Structure of Energetic Molecules and Crystals Under Compression

NASA Astrophysics Data System (ADS)

Kay, Jeffrey

Understanding how the electronic structure of energetic materials change under compression is important to elucidating mechanisms of shock-induced reactions and detonation. In this presentation, the electronic structure of prototypical energetic crystals are examined under high degrees of compression using ab initio quantum chemical calculations. The effects of compression on and interactions between the constituent molecules are examined in particular. The insights these results provide into previous experimental observations and theoretical predictions of energetic materials under high pressure are discussed. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Auto Design

NASA Technical Reports Server (NTRS)

1988-01-01

The 1987 Honda Acura Legend Coupe was designed with aid of the NASA-developed NASTRAN computer program. NASTRAN takes an electronic look at a computerized design and predicts how the structure will react under a great many different conditions. Quick and inexpensive, it minimizes trial and error in the design process and makes possible better, lighter, safer structures while affording significant savings in development time. All Honda auto products designed in the 1980's have been analyzed by the NASTRAN program.

A New Design Method of Automotive Electronic Real-time Control System

NASA Astrophysics Data System (ADS)

Zuo, Wenying; Li, Yinguo; Wang, Fengjuan; Hou, Xiaobo

Structure and functionality of automotive electronic control system is becoming more and more complex. The traditional manual programming development mode to realize automotive electronic control system can't satisfy development needs. So, in order to meet diversity and speedability of development of real-time control system, combining model-based design approach and auto code generation technology, this paper proposed a new design method of automotive electronic control system based on Simulink/RTW. Fristly, design algorithms and build a control system model in Matlab/Simulink. Then generate embedded code automatically by RTW and achieve automotive real-time control system development in OSEK/VDX operating system environment. The new development mode can significantly shorten the development cycle of automotive electronic control system, improve program's portability, reusability and scalability and had certain practical value for the development of real-time control system.

Reengineering Electrical Engineering Undergraduate Laboratories at Escola Politecnica, University of Sao Paulo.

ERIC Educational Resources Information Center

Seabra, Antonio C.; Consonni, Denise

Brazilian engineering schools are under a strict program to reengineer their courses with the financial support of the federal agencies. At the electronic engineering department at the University of Sao Paulo, this process started by modifying the Basic Electricity and Electronic Laboratories. This paper describes the new structure of these labs…

Structural, magnetic properties, and electronic structure of hexagonal FeCoSn compound

NASA Astrophysics Data System (ADS)

Li, Yong; Dai, Xue-Fang; Liu, Guo-Dong; Wei, Zhi-Yang; Liu, En-Ke; Han, Xiao-Lei; Du, Zhi-Wei; Xi, Xue-Kui; Wang, Wen-Hong; Wu, Guang-Heng

2018-02-01

Not Available Project supported by the National Natural Science Foundation of China (Grant Nos. 51431009 and 51271038), the Joint NSFC-ISF Research Program, Jointly Funded by the National Natural Science Foundation of China and the Israel Science Foundation (Grant No. 51561145003).

Mass Spectral Library with Search Program, Data Version: NIST v17

National Institute of Standards and Technology Data Gateway

SRD 1A NIST/EPA/NIH Mass Spectral Library with Search Program, Data Version: NIST v17 (PC database for purchase)   Available with full-featured NIST MS Search Program for Windows integrated tools, the NIST '98 is a fully evaluated collection of electron-ionization mass spectra. (147,198 Compounds with Spectra; 147,194 Chemical Structures; 174,948 Spectra )

High Current Density, Long Life Cathodes for High Power RF Sources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ives, Robert Lawrence; Collins, George; Falce, Lou

2014-01-22

This program was tasked with improving the quality and expanding applications for Controlled Porosity Reservoir (CPR) cathodes. Calabazas Creek Research, Inc. (CCR) initially developed CPR cathodes on a DOE-funded SBIR program to improve cathodes for magnetron injection guns. Subsequent funding was received from the Defense Advanced Research Projects Agency. The program developed design requirements for implementation of the technology into high current density cathodes for high frequency applications. During Phase I of this program, CCR was awarded the prestigious 2011 R&D100 award for this technology. Subsequently, the technology was presented at numerous technical conferences. A patent was issued for themore » technology in 2009. These cathodes are now marketed by Semicon Associates, Inc. in Lexington, KY. They are the world’s largest producer of cathodes for vacuum electron devices. During this program, CCR teamed with Semicon Associates, Inc. and Ron Witherspoon, Inc. to improve the fabrication processes and expand applications for the cathodes. Specific fabrications issues included the quality of the wire winding that provides the basic structure and the sintering to bond the wires into a robust, cohesive structure. The program also developed improved techniques for integrating the resulting material into cathodes for electron guns.« less

Thermal Skin fabrication technology

NASA Technical Reports Server (NTRS)

Milam, T. B.

1972-01-01

Advanced fabrication techniques applicable to Thermal Skin structures were investigated, including: (1) chemical machining; (2) braze bonding; (3) diffusion bonding; and (4) electron beam welding. Materials investigated were nickel and nickel alloys. Sample Thermal Skin panels were manufactured using the advanced fabrication techniques studied and were structurally tested. Results of the program included: (1) development of improved chemical machining processes for nickel and several nickel alloys; (2) identification of design geometry limits; (3) identification of diffusion bonding requirements; (4) development of a unique diffusion bonding tool; (5) identification of electron beam welding limits; and (6) identification of structural properties of Thermal Skin material.

Electron Transport Modeling of Molecular Nanoscale Bridges Used in Energy Conversion Schemes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dunietz, Barry D

2016-08-09

The goal of the research program is to reliably describe electron transport and transfer processes at the molecular level. Such insight is essential for improving molecular applications of solar and thermal energy conversion. We develop electronic structure models to study (1) photoinduced electron transfer and transport processes in organic semiconducting materials, and (2) charge and heat transport through molecular bridges. We seek fundamental understanding of key processes, which lead to design new experiments and ultimately to achieve systems with improved properties.

Television in the 80's: New Technologies, New Challenges.

ERIC Educational Resources Information Center

Alvarez, Sally

Electronic media have undergone substantial growth and change in the past two decades, and the structure of the programming industry has also changed, with the competition for programming becoming more intense. At the same time, government has moved toward deregulation in this area, with the result being increasing concentration,…

Electronic structure and pair potential energy analysis of 4-n-methoxy-4′-cyanobiphenyl: A nematic liquid crystal

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sharma, Dipendra, E-mail: d-11sharma@rediffmail.com; Tiwari, S. N., E-mail: sntiwari123@rediffmail.com; Dwivedi, M. K., E-mail: dwivedi-ji@gmail.com

2016-05-06

Electronic structure properties of 4-n-methoxy-4′-cyanobiphenyl, a pure nematic liquid crystal have been examined using an ab‒initio, HF/6‒31G(d,p) technique with GAMESS program. Conformational and charge distribution analysis have been carried out. MEP, HOMO and LUMO surfaces have been scanned. Ionization potential, electron affinity, electronegativity, global hardness and softness of the liquid crystal molecule have been calculated. Further, stacking, side by side and end to end interactions between a molecular pair have been evaluated. Results have been used to elucidate the physico-chemical and liquid crystalline properties of the system.

Evolution and Control of Electronic Structures near the Interface of Complex Oxide Heterostructure SmTiO3/SrTiO3

NASA Astrophysics Data System (ADS)

Mori, Ryo; Marshall, Patrick; Isaac, Brandon; Denlinger, Jonathan; Stemmer, Susanne; Lanzara, Alessandra

The confined electron system in the quantum well of the transition metal oxide, SrTiO3, embedded in the rare earth titanate, SmTiO3, shows unique properties, such as high carrier density, fermi liquid to non-fermi liquid transition, and pseudo-gap, which can be controlled by changing the shape of the quantum well. We will present a distinct difference in the electronic structures between the different quantum well structures obtained by angle-resolved photoemission spectroscopy (ARPES) measurements, suggesting the possibility to control the orbital character and the electron correlation near the interface as well as carrier density. The work was supported by the Quantum Materials Program at LBNL, funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC02-05CH11231.

Atomic and electronic structure of the CdTe(111)B–(2√3 × 4) orthogonal surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bekenev, V. L., E-mail: bekenev@ipms.kiev.ua; Zubkova, S. M.

2017-01-15

The atomic and electronic structure of four variants of Te-terminated CdTe(111)B–(2√3 × 4) orthogonal polar surface (ideal, relaxed, reconstructed, and reconstructed with subsequent relaxation) are calculated ab initio for the first time. The surface is modeled by a film composed of 12 atomic layers with a vacuum gap of ~16 Å in the layered superlattice approximation. To close Cd dangling bonds on the opposite side of the film, 24 fictitious hydrogen atoms with a charge of 1.5 electrons each are added. Ab initio calculations are performed using the Quantum Espresso program based on density functional theory. It is demonstrated thatmore » relaxation leads to splitting of the four upper layers. The band energy structures and total and layer-by-layer densities of electronic states for the four surface variants are calculated and analyzed.« less

Three-dimensional rotation electron diffraction: software RED for automated data collection and data processing

PubMed Central

Wan, Wei; Sun, Junliang; Su, Jie; Hovmöller, Sven; Zou, Xiaodong

2013-01-01

Implementation of a computer program package for automated collection and processing of rotation electron diffraction (RED) data is described. The software package contains two computer programs: RED data collection and RED data processing. The RED data collection program controls the transmission electron microscope and the camera. Electron beam tilts at a fine step (0.05–0.20°) are combined with goniometer tilts at a coarse step (2.0–3.0°) around a common tilt axis, which allows a fine relative tilt to be achieved between the electron beam and the crystal in a large tilt range. An electron diffraction (ED) frame is collected at each combination of beam tilt and goniometer tilt. The RED data processing program processes three-dimensional ED data generated by the RED data collection program or by other approaches. It includes shift correction of the ED frames, peak hunting for diffraction spots in individual ED frames and identification of these diffraction spots as reflections in three dimensions. Unit-cell parameters are determined from the positions of reflections in three-dimensional reciprocal space. All reflections are indexed, and finally a list with hkl indices and intensities is output. The data processing program also includes a visualizer to view and analyse three-dimensional reciprocal lattices reconstructed from the ED frames. Details of the implementation are described. Data collection and data processing with the software RED are demonstrated using a calcined zeolite sample, silicalite-1. The structure of the calcined silicalite-1, with 72 unique atoms, could be solved from the RED data by routine direct methods. PMID:24282334

Three-dimensional rotation electron diffraction: software RED for automated data collection and data processing.

PubMed

Wan, Wei; Sun, Junliang; Su, Jie; Hovmöller, Sven; Zou, Xiaodong

2013-12-01

Implementation of a computer program package for automated collection and processing of rotation electron diffraction (RED) data is described. The software package contains two computer programs: RED data collection and RED data processing. The RED data collection program controls the transmission electron microscope and the camera. Electron beam tilts at a fine step (0.05-0.20°) are combined with goniometer tilts at a coarse step (2.0-3.0°) around a common tilt axis, which allows a fine relative tilt to be achieved between the electron beam and the crystal in a large tilt range. An electron diffraction (ED) frame is collected at each combination of beam tilt and goniometer tilt. The RED data processing program processes three-dimensional ED data generated by the RED data collection program or by other approaches. It includes shift correction of the ED frames, peak hunting for diffraction spots in individual ED frames and identification of these diffraction spots as reflections in three dimensions. Unit-cell parameters are determined from the positions of reflections in three-dimensional reciprocal space. All reflections are indexed, and finally a list with hkl indices and intensities is output. The data processing program also includes a visualizer to view and analyse three-dimensional reciprocal lattices reconstructed from the ED frames. Details of the implementation are described. Data collection and data processing with the software RED are demonstrated using a calcined zeolite sample, silicalite-1. The structure of the calcined silicalite-1, with 72 unique atoms, could be solved from the RED data by routine direct methods.

Joint Services Electronics Program (Harvard University. Cambridge, Massachusetts)

DTIC Science & Technology

1988-09-30

34Band Structures of Semimagnetic Compounds," Acta Physica Polonica bf A73 (6), 933-941 (1988). (Partially supported by N00014-86-K-0760). c. Books...Journals K.L. Babcock and R.M. Westervelt, "Dynamics of Simple Electronic neural Net- works," Physica 28D, 305 (1987). C.M. Marcus and R.M. Westervelt

Post-Flight Estimation of Motion of Space Structures: Part 1

NASA Technical Reports Server (NTRS)

Brugarolas, Paul; Breckenridge, William

2008-01-01

A computer program estimates the relative positions and orientations of two space structures from data on the angular positions and distances of fiducial objects on one structure as measured by a target tracking electronic camera and laser range finders on another structure. The program is written specifically for determining the relative alignments of two antennas, connected by a long truss, deployed in outer space from a space shuttle. The program is based partly on transformations among the various coordinate systems involved in the measurements and on a nonlinear mathematical model of vibrations of the truss. The program implements a Kalman filter that blends the measurement data with data from the model. Using time series of measurement data from the tracking camera and range finders, the program generates time series of data on the relative position and orientation of the antennas. A similar program described in a prior NASA Tech Briefs article was used onboard for monitoring the structures during flight. The present program is more precise and designed for use on Earth in post-flight processing of the measurement data to enable correction, for antenna motions, of scientific data acquired by use of the antennas.

Behavior of magnesium at high pressures and high temperatures

NASA Astrophysics Data System (ADS)

Cynn, H.; Evans, W.; Yoo, C. S.; Ohishi, Y.; Sata, N.; Shimomura, O.

2004-03-01

Structural stability relationship manifested by 3-, 4-, 5d-electron transition metals also appears in so-called nearly free electron metal, magnesium as exampled by HCP to BCC structure change at high pressures. This transition has been examined by theory and confirmed by experiment. Recently, HCP to DHCP crystal structure change has been reported at high temperatures below 20 GPa. However, this type of structure change is rather common in 4f-electron lanthanides. In this study, we used synchrotron x-ray diffraction to find out the relationship between BCC and DHCP employing a diamond anvil cell technique coupled with external and laser heating methods. We also examined pressure gradient effects in relation with the existence of DHCP. This work has been supported by PDRP program at the Lawrence Livermore National Laboratory, University of California under the auspices of the U.S. Department of Energy under Contract No. W-7405-ENG-48

PATHWAYS - ELECTRON TUNNELING PATHWAYS IN PROTEINS

NASA Technical Reports Server (NTRS)

Beratan, D. N.

1994-01-01

The key to understanding the mechanisms of many important biological processes such as photosynthesis and respiration is a better understanding of the electron transfer processes which take place between metal atoms (and other groups) fixed within large protein molecules. Research is currently focused on the rate of electron transfer and the factors that influence it, such as protein composition and the distance between metal atoms. Current models explain the swift transfer of electrons over considerable distances by postulating bridge-mediated tunneling, or physical tunneling pathways, made up of interacting bonds in the medium around and between donor and acceptor sites. The program PATHWAYS is designed to predict the route along which electrons travel in the transfer processes. The basic strategy of PATHWAYS is to begin by recording each possible path element on a connectivity list, including in each entry which two atoms are connected and what contribution the connection would make to the overall rate if it were included in a pathway. The list begins with the bonded molecular structure (including the backbone sequence and side chain connectivity), and then adds probable hydrogen bond links and through-space contacts. Once this list is completed, the program runs a tree search from the donor to the acceptor site to find the dominant pathways. The speed and efficiency of the computer search offers an improvement over manual techniques. PATHWAYS is written in FORTRAN 77 for execution on DEC VAX series computers running VMS. The program inputs data from four data sets and one structure file. The software was written to input BIOGRAF (old format) structure files based on x-ray crystal structures and outputs ASCII files listing the best pathways and BIOGRAF vector files containing the paths. Relatively minor changes could be made in the input format statements for compatibility with other graphics software. The executable and source code are included with the distribution. The main memory requirement for execution is 2.6 Mb. This program is available in DEC VAX BACKUP format on a 9-track 1600 BPI magnetic tape (standard distribution) or on a TK50 tape cartridge. PATHWAYS was developed in 1988. PATHWAYS is a copyrighted work with all copyright vested in NASA. DEC, VAX, VMS, and TK50 are trademarks of Digital Equipment Corporation. BIOGRAF is a trademark of Molecular Simulations, Inc., Sunnyvale, CA.

Expansion and improvements of the FORMA system for response and load analysis. Volume 1: Programming manual

NASA Technical Reports Server (NTRS)

Wohlen, R. L.

1976-01-01

Techniques are presented for the solution of structural dynamic systems on an electronic digital computer using FORMA (FORTRAN Matrix Analysis). FORMA is a library of subroutines coded in FORTRAN 4 for the efficient solution of structural dynamics problems. These subroutines are in the form of building blocks that can be put together to solve a large variety of structural dynamics problems. The obvious advantage of the building block approach is that programming and checkout time are limited to that required for putting the blocks together in the proper order.

Joint Services Electronics Program Research in Electronics (University of Southern California, Electronic Sciences Laboratory)

DTIC Science & Technology

1990-01-05

submitted). 3. 0. J. Kim, A. Madhukar, W. Chen, K. Z. Hu, "Realization of High Mobilities at Ultra Low Electron Density in GaAs-Al O.3GaO.7As Inverted...to-Coherent Optical Conversion", in Photorefractive Materials and Aplications , J. P. Huignard and P. Gunter, Eds., Springer-Verlag, New York (1989). 2...Schottky Barrier Epitaxial Structures," USC Ph.D. Thesis (May 1989). 2. E. Garmire, N. M. Jokerst, A. Kost, A. Dar,---, and P. D. Dapkus, "Optical

IBIS integrated biological imaging system: electron micrograph image-processing software running on Unix workstations.

PubMed

Flifla, M J; Garreau, M; Rolland, J P; Coatrieux, J L; Thomas, D

1992-12-01

'IBIS' is a set of computer programs concerned with the processing of electron micrographs, with particular emphasis on the requirements for structural analyses of biological macromolecules. The software is written in FORTRAN 77 and runs on Unix workstations. A description of the various functions and the implementation mode is given. Some examples illustrate the user interface.

Hydrogenation and hydrogen intercalation of hexagonal boron nitride on Ni(1 1 1): reactivity and electronic structure

NASA Astrophysics Data System (ADS)

Späth, F.; Gebhardt, J.; Düll, F.; Bauer, U.; Bachmann, P.; Gleichweit, C.; Görling, A.; Steinrück, H.-P.; Papp, C.

2017-09-01

We investigate the reactivity of hexagonal boron nitride (h-BN) on a Ni(1 1 1) single crystal towards atomic hydrogen over a wide exposure range. Near edge x-ray absorption fine structure and x-ray photoelectron spectroscopy (XPS) show that for low hydrogen exposures hydrogenation of the h-BN sheet is found. In contrast, intercalation of hydrogen between h-BN and the Ni(1 1 1) substrate occurs for high exposures. For intermediate regimes, a mixture of intercalation and hydrogenation is observed. From temperature-programmed desorption and temperature-programmed XPS experiments, we conclude that the hydrogen covalently bound to h-BN is rather stable with a desorption temperature of 600 K, while intercalated hydrogen is desorbing already at 390 K. Further insight into the structural arrangements and the thermodynamics of the system is obtained by comparing our experimental results with extensive density-functional theory calculations. Together with ultraviolet photoelectron spectroscopy measurements, the calculations provide detailed insight into the influence of hydrogenation on the electronic structure of h-BN.

Representation of molecular structure using quantum topology with inductive logic programming in structure-activity relationships.

PubMed

Buttingsrud, Bård; Ryeng, Einar; King, Ross D; Alsberg, Bjørn K

2006-06-01

The requirement of aligning each individual molecule in a data set severely limits the type of molecules which can be analysed with traditional structure activity relationship (SAR) methods. A method which solves this problem by using relations between objects is inductive logic programming (ILP). Another advantage of this methodology is its ability to include background knowledge as 1st-order logic. However, previous molecular ILP representations have not been effective in describing the electronic structure of molecules. We present a more unified and comprehensive representation based on Richard Bader's quantum topological atoms in molecules (AIM) theory where critical points in the electron density are connected through a network. AIM theory provides a wealth of chemical information about individual atoms and their bond connections enabling a more flexible and chemically relevant representation. To obtain even more relevant rules with higher coverage, we apply manual postprocessing and interpretation of ILP rules. We have tested the usefulness of the new representation in SAR modelling on classifying compounds of low/high mutagenicity and on a set of factor Xa inhibitors of high and low affinity.

Adaptive Decision Aiding in Computer-Assisted Instruction: Adaptive Computerized Training System (ACTS).

ERIC Educational Resources Information Center

Hopf-Weichel, Rosemarie; And Others

This report describes results of the first year of a three-year program to develop and evaluate a new Adaptive Computerized Training System (ACTS) for electronics maintenance training. (ACTS incorporates an adaptive computer program that learns the student's diagnostic and decision value structure, compares it to that of an expert, and adapts the…

National Skills Standards Development Project. Study of the State of the Art of Certification and Accreditation Programs.

ERIC Educational Resources Information Center

Electronic Industries Foundation, Washington, DC.

A study of 10 organizations explored how their various certification or accreditation programs were developed, structured, and managed and made observations to guide the development of certification or accreditation for the electronics industry. From November 1994 through January 1995, a phone and fax survey was conducted of these organizations:…

Finite temperature effects on the X-ray absorption spectra of energy related materials

NASA Astrophysics Data System (ADS)

Pascal, Tod; Prendergast, David

2014-03-01

We elucidate the role of room-temperature-induced instantaneous structural distortions in the Li K-edge X-ray absorption spectra (XAS) of crystalline LiF, Li2SO4, Li2O, Li3N and Li2CO3 using high resolution X-ray Raman spectroscopy (XRS) measurements and first-principles density functional theory calculations within the eXcited electron and Core Hole (XCH) approach. Based on thermodynamic sampling via ab-initio molecular dynamics (MD) simulations, we find calculated XAS in much better agreement with experiment than those computed using the rigid crystal structure alone. We show that local instantaneous distortion of the atomic lattice perturbs the symmetry of the Li 1 s core-excited-state electronic structure, broadening spectral line-shapes and, in some cases, producing additional spectral features. This work was conducted within the Batteries for Advanced Transportation Technologies (BATT) Program, supported by the U.S. Department of Energy Vehicle Technologies Program under Contract No. DE-AC02-05CH11231.

Development of High-Gradient Dielectric Laser-Driven Particle Accelerator Structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Byer, Robert L.

2013-11-07

The thrust of Stanford's program is to conduct research on high-gradient dielectric accelerator structures driven with high repetition-rate, tabletop infrared lasers. The close collaboration between Stanford and SLAC (Stanford Linear Accelerator Center) is critical to the success of this project, because it provides a unique environment where prototype dielectric accelerator structures can be rapidly fabricated and tested with a relativistic electron beam.

A paperless course on structural engineering programming: investing in educational technology in the times of the Greek financial recession

NASA Astrophysics Data System (ADS)

Sextos, Anastasios G.

2014-01-01

This paper presents the structure of an undergraduate course entitled 'programming techniques and the use of specialised software in structural engineering' which is offered to the fifth (final) year students of the Civil Engineering Department of Aristotle University Thessaloniki in Greece. The aim of this course is to demonstrate the use of new information technologies in the field of structural engineering and to teach modern programming and finite element simulation techniques that the students can in turn apply in both research and everyday design of structures. The course also focuses on the physical interpretation of structural engineering problems, in a way that the students become familiar with the concept of computational tools without losing perspective from the engineering problem studied. For this purpose, a wide variety of structural engineering problems are studied in class, involving structural statics, dynamics, earthquake engineering, design of reinforced concrete and steel structures as well as data and information management. The main novelty of the course is that it is taught and examined solely in the computer laboratory ensuring that each student can accomplish the prescribed 'hands-on' training on a dedicated computer, strictly on a 1:1 student over hardware ratio. Significant effort has also been put so that modern educational techniques and tools are utilised to offer the course in an essentially paperless mode. This involves electronic educational material, video tutorials, student information in real time and exams given and assessed electronically through an ad hoc developed, personalised, electronic system. The positive feedback received from the students reveals that the concept of a paperless course is not only applicable in real academic conditions but is also a promising approach that significantly increases student productivity and engagement. The question, however, is whether such an investment in educational technology is indeed timely during economic recession, where the academic priorities are rapidly changing. In the light of this unfavourable and unstable financial environment, a critical overview of the strengths, the weaknesses, the opportunities and the threats of this effort is presented herein, hopefully contributing to the discussion on the future of higher education in the time of crisis.

Structure of catalase determined by MicroED

PubMed Central

Nannenga, Brent L; Shi, Dan; Hattne, Johan; Reyes, Francis E; Gonen, Tamir

2014-01-01

MicroED is a recently developed method that uses electron diffraction for structure determination from very small three-dimensional crystals of biological material. Previously we used a series of still diffraction patterns to determine the structure of lysozyme at 2.9 Å resolution with MicroED (Shi et al., 2013). Here we present the structure of bovine liver catalase determined from a single crystal at 3.2 Å resolution by MicroED. The data were collected by continuous rotation of the sample under constant exposure and were processed and refined using standard programs for X-ray crystallography. The ability of MicroED to determine the structure of bovine liver catalase, a protein that has long resisted atomic analysis by traditional electron crystallography, demonstrates the potential of this method for structure determination. DOI: http://dx.doi.org/10.7554/eLife.03600.001 PMID:25303172

Structural biology revolution led by technical breakthroughs in cryo-electron microscopy

NASA Astrophysics Data System (ADS)

Yin, >Chang-Cheng

2018-05-01

Not Available Project supported by the National Key Research and Development Program of China (Grant No. 2017YFA0504700) and the National Natural Science Foundation of China (Grant Nos. 31570732 and 31770785).

Joint Services Electronics Program.

DTIC Science & Technology

1987-04-30

the specific objectives and progress in each work unit are reported. The focus of the JSEP project on transport properties of 1- dimensional...path. The properties of carrier transport and storage in various regions of these ultra-small, 3- dimensionally confined structures are not well...capabilities of MBE to grow and investigate the transport in these materials. SUMMARY OF RESEARCH: 1. One Dimensional Electron Transport One of the major goals

A new algorithm to handle finite nuclear mass effects in electronic calculations: the ISOTOPE program.

PubMed

Gonçalves, Cristina P; Mohallem, José R

2004-11-15

We report the development of a simple algorithm to modify quantum chemistry codes based on the LCAO procedure, to account for the isotope problem in electronic structure calculations. No extra computations are required compared to standard Born-Oppenheimer calculations. An upgrade of the Gamess package called ISOTOPE is presented, and its applicability is demonstrated in some examples.

Theoretical atomic physics code development I: CATS: Cowan Atomic Structure Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abdallah, J. Jr.; Clark, R.E.H.; Cowan, R.D.

An adaptation of R.D. Cowan's Atomic Structure program, CATS, has been developed as part of the Theoretical Atomic Physics (TAPS) code development effort at Los Alamos. CATS has been designed to be easy to run and to produce data files that can interface with other programs easily. The CATS produced data files currently include wave functions, energy levels, oscillator strengths, plane-wave-Born electron-ion collision strengths, photoionization cross sections, and a variety of other quantities. This paper describes the use of CATS. 10 refs.

Dynamic Docking Test System (DDTS) active table computer program NASA Advanced Docking System (NADS)

NASA Technical Reports Server (NTRS)

Gates, R. M.; Jantz, R. E.

1974-01-01

A computer program was developed to describe the three-dimensional motion of the Dynamic Docking Test System active table. The input consists of inertia and geometry data, actuator structural data, forcing function data, hydraulics data, servo electronics data, and integration control data. The output consists of table responses, actuator bending responses, and actuator responses.

Soot Nanostructure: Using Fringe Analysis Software on High Resolution Transmission Electron Microscopy of Carbon Soot

NASA Technical Reports Server (NTRS)

King, James D.

2004-01-01

Using high resolution transmission electron images of carbon nanotubes and carbon particles, we are able to use image analysis program to determine several carbon fringe properties, including length, separation, curvature and orientation. Results are shown in the form of histograms for each of those quantities. The combination of those measurements can give a better indication of the graphic structure within nanotubes and particles of carbon and can distinguish carbons based upon fringe properties. Carbon with longer, straighter and closer spaced fringes are considered graphite, while amorphous carbon contain shorter, less structured fringes.

QMCPACK: an open source ab initio quantum Monte Carlo package for the electronic structure of atoms, molecules and solids.

PubMed

Kim, Jeongnim; Baczewski, Andrew T; Beaudet, Todd D; Benali, Anouar; Bennett, M Chandler; Berrill, Mark A; Blunt, Nick S; Borda, Edgar Josué Landinez; Casula, Michele; Ceperley, David M; Chiesa, Simone; Clark, Bryan K; Clay, Raymond C; Delaney, Kris T; Dewing, Mark; Esler, Kenneth P; Hao, Hongxia; Heinonen, Olle; Kent, Paul R C; Krogel, Jaron T; Kylänpää, Ilkka; Li, Ying Wai; Lopez, M Graham; Luo, Ye; Malone, Fionn D; Martin, Richard M; Mathuriya, Amrita; McMinis, Jeremy; Melton, Cody A; Mitas, Lubos; Morales, Miguel A; Neuscamman, Eric; Parker, William D; Pineda Flores, Sergio D; Romero, Nichols A; Rubenstein, Brenda M; Shea, Jacqueline A R; Shin, Hyeondeok; Shulenburger, Luke; Tillack, Andreas F; Townsend, Joshua P; Tubman, Norm M; Van Der Goetz, Brett; Vincent, Jordan E; Yang, D ChangMo; Yang, Yubo; Zhang, Shuai; Zhao, Luning

2018-05-16

QMCPACK is an open source quantum Monte Carlo package for ab initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum Monte Carlo algorithms include variational, diffusion, and reptation Monte Carlo. QMCPACK uses Slater-Jastrow type trial wavefunctions in conjunction with a sophisticated optimizer capable of optimizing tens of thousands of parameters. The orbital space auxiliary-field quantum Monte Carlo method is also implemented, enabling cross validation between different highly accurate methods. The code is specifically optimized for calculations with large numbers of electrons on the latest high performance computing architectures, including multicore central processing unit and graphical processing unit systems. We detail the program's capabilities, outline its structure, and give examples of its use in current research calculations. The package is available at http://qmcpack.org.

First-principles investigation of the interlayer coupling in chromium-trichloride-a layered magnetic insulator

NASA Astrophysics Data System (ADS)

Kc, Santosh; McGuire, Michael A.; Cooper, Valentino R.

The crystallographic, electronic and magnetic properties of layered CrCl3were investigated using density functional theory. We use the newly developed spin van der Waals density functional (svdW-DF) in order to explore the atomic, electronic and magnetic structure. Our results indicate that treatment of the long-range interlayer forces with the svdW-DF improves the accuracy of crystal structure predictions. The cleavage energy was estimated to be 0.29 J/m2 suggesting that CrCl3 should be cleavable using standard mechanical exfoliation techniques. The inclusion of spin in the non-local vdW-DF allows us to directly probe the coupling between the magnetic structure and lattice degrees of freedom. An understanding of the link between electronic, magnetic and structural properties can be useful for novel device applications such as magnetoelectric devices, spin transistors, and 2D magnet. Research was sponsored by the US DOE, Office of Science, BES, MSED and Early Career Research Programs and used resources at NERSC.

Ultra-high-resolution X-ray structure of proteins.

PubMed

Lecomte, C; Guillot, B; Muzet, N; Pichon-Pesme, V; Jelsch, C

2004-04-01

The constant advances in synchrotron radiation sources and crystallogenesis methods and the impulse of structural genomics projects have brought biocrystallography to a context favorable to subatomic resolution protein and nucleic acid structures. Thus, as soon as such precision can be frequently obtained, the amount of information available in the precise electron density should also be easily and naturally exploited, similarly to the field of small molecule charge density studies. Indeed, the use of a nonspherical model for the atomic electron density in the refinement of subatomic resolution protein structures allows the experimental description of their electrostatic properties. Some methods we have developed and implemented in our multipolar refinement program MoPro for this purpose are presented. Examples of successful applications to several subatomic resolution protein structures, including the 0.66 angstrom resolution human aldose reductase, are described.

Progress Report for the Joint Services Electronics Program

DTIC Science & Technology

1991-06-30

AIGaAs MODFET layers. Both wet etching and reactive ion etching have been used to fabricate the channels. The CAIBE method will also be investigated in...potential for fabricating nanometer scale device structures through surface modification of various types. Using this JSEP research as a foundation...Kerkhoven, "Calculation of velocity overshoot in submicron devices using an augmented drift-diffusion model," Solid-State Electron. (to appear). (JSEP/NSF

Simulation of multistatic and backscattering cross sections for airborne radar

NASA Astrophysics Data System (ADS)

Biggs, Albert W.

1986-07-01

In order to determine susceptibilities of airborne radar to electronic countermeasures and electronic counter-countermeasures simulations of multistatic and backscattering cross sections were developed as digital modules in the form of algorithms. Cross section algorithms are described for prolate (cigar shape) and oblate (disk shape) spheroids. Backscattering cross section algorithms are also described for different categories of terrain. Backscattering cross section computer programs were written for terrain categorized as vegetation, sea ice, glacial ice, geological (rocks, sand, hills, etc.), oceans, man-made structures, and water bodies. PROGRAM SIGTERRA is a file for backscattering cross section modules of terrain (TERRA) such as vegetation (AGCROP), oceans (OCEAN), Arctic sea ice (SEAICE), glacial snow (GLASNO), geological structures (GEOL), man-made structures (MAMMAD), or water bodies (WATER). AGCROP describes agricultural crops, trees or forests, prairies or grassland, and shrubs or bush cover. OCEAN has the SLAR or SAR looking downwind, upwind, and crosswind at the ocean surface. SEAICE looks at winter ice and old or polar ice. GLASNO is divided into a glacial ice and snow or snowfields. MANMAD includes buildings, houses, roads, railroad tracks, airfields and hangars, telephone and power lines, barges, trucks, trains, and automobiles. WATER has lakes, rivers, canals, and swamps. PROGRAM SIGAIR is a similar file for airborne targets such as prolate and oblate spheroids.

QEDMOD: Fortran program for calculating the model Lamb-shift operator

NASA Astrophysics Data System (ADS)

Shabaev, V. M.; Tupitsyn, I. I.; Yerokhin, V. A.

2018-02-01

We present Fortran package QEDMOD for computing the model QED operator hQED that can be used to account for the Lamb shift in accurate atomic-structure calculations. The package routines calculate the matrix elements of hQED with the user-specified one-electron wave functions. The operator can be used to calculate Lamb shift in many-electron atomic systems with a typical accuracy of few percent, either by evaluating the matrix element of hQED with the many-electron wave function, or by adding hQED to the Dirac-Coulomb-Breit Hamiltonian.

Electronic Structures and Adsorption of Li-Doped Graphenes for CO

NASA Astrophysics Data System (ADS)

Liu, Xiao-Juan; Cao, Wen-Qiang; Huang, Zi-Han; Yuan, Jie; Fang, Xiao-Yong; Cao, Mao-Sheng

2015-03-01

Not Available Supported by the National Natural Science Foundation of China under Grant Nos 51372282, 51072024 and 51132002, and the National College Students' Innovative and Entrepreneurial Training Program of Beijing Institute of Technology under Grant No 201410007050.

Effects of alloying element on stabilities, electronic structures, and mechanical properties of Pd-based superalloys

NASA Astrophysics Data System (ADS)

Yan, Pei; Chong, Xiao-Yu; Jiang, Ye-Hua; Feng, Jing

2017-12-01

Not Available Project supported by the Young-Talent Support Programs of Kunming University of Science and Technology, China (Grant No. 11504146) and the National Natural Science Foundation of China (Grant No. 51762028).

GaN Initiative for Grid Applications (GIGA)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Turner, George

2015-07-03

For nearly 4 ½ years, MIT Lincoln Laboratory (MIT/LL) led a very successful, DoE-funded team effort to develop GaN-on-Si materials and devices, targeting high-voltage (>1 kV), high-power, cost-effective electronics for grid applications. This effort, called the GaN Initiative for Grid Applications (GIGA) program, was initially made up of MIT/LL, the MIT campus group of Prof. Tomas Palacios (MIT), and the industrial partner M/A Com Technology Solutions (MTS). Later in the program a 4th team member was added (IQE MA) to provide commercial-scale GaN-on-Si epitaxial materials. A basic premise of the GIGA program was that power electronics, for ubiquitous utilization -evenmore » for grid applications - should be closer in cost structure to more conventional Si-based power electronics. For a number of reasons, more established GaN-on-SiC or even SiC-based power electronics are not likely to reach theses cost structures, even in higher manufacturing volumes. An additional premise of the GIGA program was that the technical focus would be on materials and devices suitable for operating at voltages > 1 kV, even though there is also significant commercial interest in developing lower voltage (< 1 kV), cost effective GaN-on-Si devices for higher volume applications, like consumer products. Remarkable technical progress was made during the course of this program. Advances in materials included the growth of high-quality, crack-free epitaxial GaN layers on large-diameter Si substrates with thicknesses up to ~5 μm, overcoming significant challenges in lattice mismatch and thermal expansion differences between Si and GaN in the actual epitaxial growth process. Such thick epilayers are crucial for high voltage operation of lateral geometry devices such as Schottky barrier (SB) diodes and high electron mobility transistors (HEMTs). New “Normally-Off” device architectures were demonstrated – for safe operation of power electronics circuits. The trade-offs between lateral and vertical devices were explored, with the conclusion that lateral devices are superior for fundamental thermal reasons, as well as for the demonstration of future generations of monolithic power circuits. As part of the materials and device investigations breakdown mechanisms in GaN-on-Si structures were fully characterized and effective electric field engineering was recognized as critical for achieving even higher voltage operation. Improved device contact technology was demonstrated, including the first gold-free metallizations (to enable processing in CMOS foundries) while maintaining low specific contact resistance needed for high-power operation and 5-order-of magnitude improvement in device leakage currents (essential for high power operation). In addition, initial GaN-on-Si epitaxial growth was performed on 8”/200 mm Si starting substrates.« less

Wavefunction Properties and Electronic Band Structures of High-Mobility Semiconductor Nanosheet MoS2

NASA Astrophysics Data System (ADS)

Baik, Seung Su; Lee, Hee Sung; Im, Seongil; Choi, Hyoung Joon; Ccsaemp Team; Edl Team

2014-03-01

Molybdenum disulfide (MoS2) nanosheet is regarded as one of the most promising alternatives to the current semiconductors due to its significant band-gap and electron-mobility enhancement upon exfoliating. To elucidate such thickness-dependent properties, we have studied the electronic band structures of bulk and monolayer MoS2 by using the first-principles density-functional method as implemented in the SIESTA code. Based on the wavefunction analyses at the conduction band minimum (CBM) points, we have investigated possible origins of mobility difference between bulk and monolayer MoS2. We provide formation energies of substitutional impurities at the Mo and S sites, and discuss feasible electron sources which may induce a significant difference in the carrier lifetime. This work was supported by NRF of Korea (Grant Nos. 2009-0079462 and 2011-0018306), Nano-Material Technology Development Program (2012M3a7B4034985), and KISTI supercomputing center (Project No. KSC-2013-C3-008). Center for Computational Studies of Advanced Electronic Material Properties.

Microgravity Science and Applications Program Tasks, 1984 Revision

NASA Technical Reports Server (NTRS)

Pentecost, E. (Compiler)

1985-01-01

This report is a compilation of the active research tasks as of the end of the fiscal year 1984 of the Microgravity Science and Applications Program, NASA-Office of Space Science and Applications, involving several NASA centers and other organizations. The purpose of the document is to provide an overview of the program scope for managers and scientists in industry, university, and government communities. The report is structured to include an introductory description of the program, strategy and overall goal; identification of the organizational structures and people involved; and a description of each research task, together with a list of recent publications. The tasks are grouped into six categories: (1) electronic materials; (2) solidification of metals, alloys, and composites; (3) fluid dynamics and transports; (4) biotechnology; (5) glasses and ceramics; and (6) combustion.

Implementation of an Electronic Objective Structured Clinical Exam for Assessing Practical Skills in Pre-Professional Physiotherapy and Occupational Therapy Programs: Examiner and Course Coordinator Perspectives

ERIC Educational Resources Information Center

Snodgrass, Suzanne J.; Ashby, Samantha E.; Rivett, Darren A.; Russell, Trevor

2014-01-01

Assessment of practical clinical skills is essential in the health fields. Objective Structured Clinical Exams (OSCEs), where examiners assess students performing clinical procedures on simulated patients (actors), are central to the evaluation of practical skills. However, traditional OSCEs require considerable time-investment to administer, and…

A Fortran 90 Hartree-Fock program for one-dimensional periodic π-conjugated systems using Pariser-Parr-Pople model

NASA Astrophysics Data System (ADS)

Kondayya, Gundra; Shukla, Alok

2012-03-01

Pariser-Parr-Pople (P-P-P) model Hamiltonian is employed frequently to study the electronic structure and optical properties of π-conjugated systems. In this paper we describe a Fortran 90 computer program which uses the P-P-P model Hamiltonian to solve the Hartree-Fock (HF) equation for infinitely long, one-dimensional, periodic, π-electron systems. The code is capable of computing the band structure, as also the linear optical absorption spectrum, by using the tight-binding and the HF methods. Furthermore, using our program the user can solve the HF equation in the presence of a finite external electric field, thereby, allowing the simulation of gated systems. We apply our code to compute various properties of polymers such as trans-polyacetylene, poly- para-phenylene, and armchair and zigzag graphene nanoribbons, in the infinite length limit. Program summaryProgram title: ppp_bulk.x Catalogue identifier: AEKW_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKW_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 87 464 No. of bytes in distributed program, including test data, etc.: 2 046 933 Distribution format: tar.gz Programming language: Fortran 90 Computer: PCs and workstations Operating system: Linux, Code was developed and tested on various recent versions of 64-bit Fedora including Fedora 14 (kernel version 2.6.35.12-90). Classification: 7.3 External routines: This program needs to link with LAPACK/BLAS libraries compiled with the same compiler as the program. For the Intel Fortran Compiler we used the ACML library version 4.4.0, while for the gfortran compiler we used the libraries supplied with the Fedora distribution. Nature of problem: The electronic structure of one-dimensional periodic π-conjugated systems is an intense area of research at present because of the tremendous interest in the physics of conjugated polymers and graphene nanoribbons. The computer program described in this paper provides an efficient way of solving the Hartree-Fock equations for such systems within the P-P-P model. In addition to the Bloch orbitals, band structure, and the density of states, the program can also compute quantities such as the linear absorption spectrum, and the electro-absorption spectrum of these systems. Solution method: For a one-dimensional periodic π-conjugated system lying in the xy-plane, the single-particle Bloch orbitals are expressed as linear combinations of p-orbitals of individual atoms. Then using various parameters defining the P-P-P Hamiltonian, the Hartree-Fock equations are set up as a matrix eigenvalue problem in the k-space. Thereby, its solutions are obtained in a self-consistent manner, using the iterative diagonalizing technique at several k points. The band structure and the corresponding Bloch orbitals thus obtained are used to perform a variety of calculations such as the density of states, linear optical absorption spectrum, electro-absorption spectrum, etc. Running time: Most of the examples provided take only a few seconds to run. For a large system, however, depending on the system size, the run time may be a few minutes to a few hours.

Structure, electronic and magnetic properties of Mn{sub n} (n=2-8) clusters: A DFT investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Vipin; Roy, Debesh R., E-mail: drr@ashd.svnit.ac.in

2016-05-06

A detail studyon the stability, electronic and magnetic properties of Mn{sub n} (n=2-8) cluster series is performed under the utilization ofdensity functional theory (DFT). The binding energy (B.E.), HOMO-LUMO energy gap (HLG), chemical hardness (η), ionization potential (I.P.), electron affinity (E.A)and electronegativity (χ) of these clusters are predicted. We have also studied the magnetic moments associated with the stable cluster isomers. The lowest energy structures for each cluster sizes aredetermined with a systematic search imposing all possible initial magnetic configuration on the cluster. All the calculations are carried out using a popular GGA functional PBE as proposed by Pardew, Burkemore » and Ernzerhof and implemented in the VASP program.« less

NASA aeronautics R&T - A resource for aircraft design

NASA Technical Reports Server (NTRS)

Olstad, W. B.

1981-01-01

This paper discusses the NASA aeronautics research and technology program from the viewpoint of the aircraft designer. The program spans the range from fundamental research to the joint validation with industry of technology for application into product development. Examples of recent developments in structures, materials, aerodynamics, controls, propulsion systems, and safety technology are presented as new additions to the designer's handbook. Finally, the major thrusts of NASA's current and planned programs which are keyed to revolutionary advances in materials science, electronics, and computer technology are addressed.

NASCAP user's manual, 1978

NASA Technical Reports Server (NTRS)

Cassidy, J. J., III

1978-01-01

NASCAP simulates the charging process for a complex object in either tenuous plasma (geosynchronous orbit) or ground test (electron gun source) environment. Program control words, the structure of user input files, and various user options available are described in this computer programmer's user manual.

Research Reports: 1983 NASA/ASEE Summer Faculty Fellowship Program

NASA Technical Reports Server (NTRS)

Karr, G. R.; Dozier, J. B.; Osborn, L.; Freeman, M.

1983-01-01

Thirty-five technical reports contain results of investigations in information and electronic systems; materials and processing; systems dynamics; structures and propulsion; and space sciences. Ecology at KSC, satellite de-spin, and the X-ray source monitor were also studied.

A Novel Approach to Data Collection for Difficult Structures: Data Management for Large Numbers of Crystals with the BLEND Software.

PubMed

Mylona, Anastasia; Carr, Stephen; Aller, Pierre; Moraes, Isabel; Treisman, Richard; Evans, Gwyndaf; Foadi, James

2017-08-04

The present article describes how to use the computer program BLEND to help assemble complete datasets for the solution of macromolecular structures, starting from partial or complete datasets, derived from data collection from multiple crystals. The program is demonstrated on more than two hundred X-ray diffraction datasets obtained from 50 crystals of a complex formed between the SRF transcription factor, its cognate DNA, and a peptide from the SRF cofactor MRTF-A. This structure is currently in the process of being fully solved. While full details of the structure are not yet available, the repeated application of BLEND on data from this structure, as they have become available, has made it possible to produce electron density maps clear enough to visualise the potential location of MRTF sequences.

A Novel Approach to Data Collection for Difficult Structures: Data Management for Large Numbers of Crystals with the BLEND Software

PubMed Central

Mylona, Anastasia; Carr, Stephen; Aller, Pierre; Moraes, Isabel; Treisman, Richard; Evans, Gwyndaf; Foadi, James

2018-01-01

The present article describes how to use the computer program BLEND to help assemble complete datasets for the solution of macromolecular structures, starting from partial or complete datasets, derived from data collection from multiple crystals. The program is demonstrated on more than two hundred X-ray diffraction datasets obtained from 50 crystals of a complex formed between the SRF transcription factor, its cognate DNA, and a peptide from the SRF cofactor MRTF-A. This structure is currently in the process of being fully solved. While full details of the structure are not yet available, the repeated application of BLEND on data from this structure, as they have become available, has made it possible to produce electron density maps clear enough to visualise the potential location of MRTF sequences. PMID:29456874

Electron deuteron scattering with HERA, a letter of intent for an experimental programme with the H1 detector

DOE Office of Scientific and Technical Information (OSTI.GOV)

T. Alexopoulos; et. al.

2003-12-01

This document outlines the case for a program of electron-deuteron scattering measurements at HERA using the H1 detector. The goals of the e D program are to map the partonic structure of the nucleon at large Q2 and low x, to explore the valence quark distributions at the highest x values, to provide a precise measurement of the strong coupling constant and to investigate the parton recombination phenomena revealed in shadowing and their relationship to diffraction. The importance of these measurements for the understanding of the perturbative and non-perturbative aspects of QCD thought to be responsible for nucleon structure ismore » discussed, as is the significance of the measurements for future experimental programs. Some modifications to both the H1 apparatus and the HERA accelerator are necessary to realize this program; these are presented in the document. Mention is also made of questions that will remain unanswered following the completion of the above program and the potential role of HERA and of H1 in investigating these questions is outlined. Physicists and Institutes interested in supporting this project are asked to inform Max Klein (klein@ifh.de) and Tim Greenshaw (green@hep.ph.liv.ac.uk) that they would like to have their names on the Letter of Intent by Wednesday 30th April 2003.« less

Stormtime coupling of the ring current, plasmasphere, and topside ionosphere: Electromagnetic and plasma disturbances

NASA Astrophysics Data System (ADS)

Mishin, E. V.; Burke, W. J.

2005-07-01

We compare plasma and field disturbances observed in the ring current/plasmasphere overlap region and in the conjugate ionosphere during the magnetic storm of 5 June 1991. Data come from the Combined Release and Radiation Effects Satellite (CRRES) flying in a geostationary transfer orbit and three satellites of the Defense Meteorological Satellite Program (DMSP) series in Sun-synchronous polar orbits. In the region between ring current nose structures and the electron plasma sheet, CRRES detected wave-like features in local electric and magnetic fields, embedded in structured cold plasmas. Mapped to the ionosphere, these fields should reflect structuring within subauroral plasma streams (SAPS). Indeed, during the period of interest, DMSP F8, F9, and F10 satellites observed highly structured SAPS in the evening ionosphere at topside altitudes. They were collocated with precipitating ring current ions, enhanced fluxes of suprathermal electrons and ions, elevated electron temperatures, and irregular plasma density troughs. Overall, these events are similar to electromagnetic structures observed by DMSP satellites within SAPS during recent geomagnetic storms (Mishin et al., 2003, 2004). Their features can be explained in terms of Alfvén and fast magnetosonic perturbations. We developed a scenario for the formation of elevated electron temperatures at the equatorward side of the SAPS. It includes a lower-hybrid drift instability driven by diamagnetic currents, consistent with strong lower- and upper-hybrid plasma wave activity and intense fluxes of the low-energy electrons and ions near the ring current's inner edge.

Postflight analysis for Delta Program Mission no. 113: COS-B Mission

NASA Technical Reports Server (NTRS)

1976-01-01

On 8 August 1975, the COS-B spacecraft was launched successfully from the Western Test Range (Delta Program Mission No. 113). The launch vehicle was a three stage Extended Long Tank Delta DSV-3P-11B vehicle. Postflight analyses performed in connection with flight are presented. Vehicle trajectory, stage performance, vehicle reliability and the propulsion, guidance, flight control, electronics, mechanical and structural systems are evaluated.

Language Magazine: The Journal of Communication & Education, 2003.

ERIC Educational Resources Information Center

Ward, Daniel, Ed.

2003-01-01

Articles are included on such issues as the following: heritage languages; the psychology of language; the Voice of America broadcasts; dual language programs; linguistic autobiography in the language classroom; pronunciation; electronic education; dialects; world languages; bilingual education; language travel; language structure; conceptual…

A code for analysis of the fine structure in near-rigid weakly-bonded open-shell complexes that consist of a diatomic radical in a Σ3 state and a closed-shell molecule

NASA Astrophysics Data System (ADS)

Fawzy, Wafaa M.

2010-10-01

A FORTRAN code is developed for simulation and fitting the fine structure of a planar weakly-bonded open-shell complex that consists of a diatomic radical in a Σ3 electronic state and a diatomic or a polyatomic closed-shell molecule. The program sets up the proper total Hamiltonian matrix for a given J value and takes account of electron-spin-electron-spin, electron-spin rotation interactions, and the quartic and sextic centrifugal distortion terms within the complex. Also, R-dependence of electron-spin-electron-spin and electron-spin rotation couplings are considered. The code does not take account of effects of large-amplitude internal rotation of the diatomic radical within the complex. It is assumed that the complex has a well defined equilibrium geometry so that effects of large amplitude motion are negligible. Therefore, the computer code is suitable for a near-rigid rotor. Numerical diagonalization of the matrix provides the eigenvalues and the eigenfunctions that are necessary for calculating energy levels, frequencies, relative intensities of infrared or microwave transitions, and expectation values of the quantum numbers within the complex. Goodness of all the quantum numbers, with exception of J and parity, depends on relative sizes of the product of the rotational constants and quantum numbers (i.e. BJ, CJ, and AK), electron-spin-electron-spin, and electron-spin rotation couplings, as well as the geometry of the complex. Therefore, expectation values of the quantum numbers are calculated in the eigenfunctions basis of the complex. The computational time for the least squares fits has been significantly reduced by using the Hellman-Feynman theory for calculating the derivatives. The computer code is useful for analysis of high resolution infrared and microwave spectra of a planar near-rigid weakly-bonded open-shell complex that contains a diatomic fragment in a Σ3 electronic state and a closed-shell molecule. The computer program was successfully applied to analysis and fitting the observed high resolution infrared spectra of the O 2sbnd HF/O 2sbnd DF and O 2sbnd N 2O complexes. Test input file for simulation and fitting the high resolution infrared spectrum of the O 2sbnd DF complex is provided. Program summaryProgram title: TSIG_COMP Catalogue identifier: AEGM_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGM_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 10 030 No. of bytes in distributed program, including test data, etc.: 51 663 Distribution format: tar.gz Programming language: Fortran 90, free format Computer: SGI Origin 3400, workstations and PCs Operating system: Linux, UNIX and Windows (see Restrictions below) RAM: Case dependent Classification: 16.2 Nature of problem: TSIG_COMP calculates frequencies, relative intensities, and expectation values of the various quantum numbers and parities of bound states involved in allowed ro-vibrational transitions in semi-rigid planar weakly-bonded open-shell complexes. The complexes of interest contain a free radical in a Σ3 state and a closed-shell partner, where the electron-spin-electron-spin interaction, electron-spin rotation interaction, and centrifugal forces significantly modify the spectral patterns. To date, ab initio methods are incapable of taking these effects into account to provide accurate predictions for the ro-vibrational energy levels of the complexes of interest. In the TSIG_COMP program, the problem is solved by using the proper effective Hamiltonian and molecular basis set. Solution method: The program uses a Hamiltonian operator that takes into account vibration, end-over-end rotation, electron-spin-electron-spin and electron-spin rotation interactions as well as the various centrifugal distortion terms. The Hamiltonian operator and the molecular basis set are used to set up the Hamiltonian matrix in the inertial axis system of the complex of interest. Diagonalization of the Hamiltonian matrix provides the eigenvalues and the eigenfunctions for the bound ro-vibrational states. These eigenvalues and eigenfunctions are used to calculate frequencies and relative intensities of the allowed infrared or microwave transitions as well as expectation values of all the quantum numbers and parities of states involved in the transitions. The program employs the method of least squares fits to fit the observed frequencies to the calculated frequencies to provide the molecular parameters that determine the geometry of the complex of interest. Restrictions: The number of transitions and parameters included in the fits is limited to 80 parameters and 200 transitions. However, these numbers can be increased by adjusting dimensions of the arrays (not recommended). Running the program under MS windows is recommended for simulations of any number of transitions and for fitting a relatively small number of parameters and transitions (maximum 15 parameters and 82 transitions), for fitting larger number of parameters run time error may occur. Because spectra of weakly bonded complexes are recorded at low temperatures, in most of cases fittings can be performed under MS windows. Running time: Problem-dependent. The provided test input for Linux fits 82 transitions and 21 parameters, the actual run time is 62 minutes. The provided test input file for MS windows fits 82 transitions and 15 parameters; the actual runtime is 5 minutes.

SOFIP: A Short Orbital Flux Integration Program

NASA Technical Reports Server (NTRS)

Stassinopoulos, E. G.; Hebert, J. J.; Butler, E. L.; Barth, J. L.

1979-01-01

A computer code was developed to evaluate the space radiation environment encountered by geocentric satellites. The Short Orbital Flux Integration Program (SOFIP) is a compact routine of modular compositions, designed mostly with structured programming techniques in order to provide core and time economy and ease of use. The program in its simplest form produces for a given input trajectory a composite integral orbital spectrum of either protons or electrons. Additional features are available separately or in combination with the inclusion of the corresponding (optional) modules. The code is described in detail, and the function and usage of the various modules are explained. A program listing and sample outputs are attached.

PREFACE: International Conference on Advanced Structural and Functional Materials Design 2008

NASA Astrophysics Data System (ADS)

Kakeshita, Tomoyuki

2009-07-01

The Ministry of Education, Culture, Sports, Science and Technology of Japan started the Priority Assistance for the Formation of Worldwide Renowned Centers of Research - Global COE Program. This program is based on the competitive principle where a third party evaluation decides which program to support and to give priority support to the formation of world-class centers of research. Our program Center of Excellence for Advanced Structural and Functional Materials Design was selected as one of 13 programs in the field of Chemistry and Materials Science. This center is composed of two materials-related Departments in the Graduate School of Engineering: Materials and Manufacturing Science and Adaptive Machine Systems, and 4 Research Institutes: Center for Atomic and Molecular Technologies, Welding and Joining Research Institute, Institute of Scientific and Industrial Research and Research Center for Ultra-High Voltage Electron Microscopy. Recently, materials research, particularly that of metallic materials, has specialized only in individual elemental characteristics and narrow specialty fields, and there is a feeling that the original role of materials research has been forgotten. The 6 educational and research organizations which make up the COE program cooperatively try to develop new advanced structural and functional materials and achieve technological breakthrough for their fabrication processes from electronic, atomic, microstructural and morphological standpoints, focusing on their design and application: development of high performance structural materials such as space plane and turbine blades operating under a severe environment, new fabrication and assembling methods for electronic devices, development of evaluation technique for materials reliability, and development of new biomaterials for regeneration of biological hard tissues. The aim of this international conference was to report the scientific progress in our Global COE program and also to discuss related research topics. The organizing committee gratefully thanks participants for presenting their recent results and for discussions with our COE members and international attendees. November 2008 Professor Tomoyuki Kakeshita Chairman of the Conference Vice Dean, Graduate School of Engineering, Osaka University, Division of Materials and Manufacturing Science, Graduate School of Engineering Leader of Global COE Program, Osaka University, ''Center of Excellence for Advanced Structural and Functional Materials Design'' Organization Chairman: T Kakeshita (Osaka University) Advisory Board:H Mehrer (University Münster, Germany), E K H Salje (University of Cambridge, United Kingdom), H-E Schaefer (University of Stuttgart, Germany), P Veyssiere (CNRS-ONERA, France) Organizing Committee: T Kakeshita, H Araki, H Fujii, S Fujimoto, Y Fujiwara, A Hirose, S Kirihara, M Mochizuki, H Mori, T Nagase, H Nakajima, T Nakano, R Nakatani, K Nogi, Y Setsuhara, Y Shiratsuchi, T Tanaka, T Terai, H Tsuchiya, N Tsuji, H Utsunomiya, H Yasuda, H Yasuda (Osaka University) Executive Committee: T Kakeshita, S Fujimoto, Y Fujiwara, A Hirose, T Tanaka, H Yasuda (Osaka University) Conference Secretariat: Y Fujiwara (Osaka University) Proceedings Editors: T Kakeshita and Y Fujiwara (Osaka University) Conference photograph

Joint Services Electronics Program: Electronics Research at the University of Texas at Austin

DTIC Science & Technology

1988-12-31

structures. This system is also used routinely as an in-situ measure of alloy composition. We have shown that significant changes in the principal...RHEED streak intensity and shape are produced by very small changes in adatom coverage and that the profile is noticeably different for Ga and As...characteristic impedance measurement instruments. The oscillation frequency in the waveguide circuit could be varied from 8 to 12 GHz by changing the dc bias

Joint Services Electronics Program. Basic Research in Electronics (JSEP)

DTIC Science & Technology

1992-08-01

DBRs). Our DBR work allows us to develop improved vertical cavity surface-emitting lasers ( VCSELs ) and also to examine details of optical phenomena... in short-cavity lasers. We have used MBE regrowth techniques to provide current tunnelling into the device active region of the VCSEL . We use an AlAs... optical detector structures. We have already developed significant capability in the low temperature (2506C - 3000C) growth of undoped GaAs and AIo.3Gao

Quantum Monte Carlo Studies of Bulk and Few- or Single-Layer Black Phosphorus

NASA Astrophysics Data System (ADS)

Shulenburger, Luke; Baczewski, Andrew; Zhu, Zhen; Guan, Jie; Tomanek, David

2015-03-01

The electronic and optical properties of phosphorus depend strongly on the structural properties of the material. Given the limited experimental information on the structure of phosphorene, it is natural to turn to electronic structure calculations to provide this information. Unfortunately, given phosphorus' propensity to form layered structures bound by van der Waals interactions, standard density functional theory methods provide results of uncertain accuracy. Recently, it has been demonstrated that Quantum Monte Carlo (QMC) methods achieve high accuracy when applied to solids in which van der Waals forces play a significant role. In this talk, we will present QMC results from our recent calculations on black phosphorus, focusing on the structural and energetic properties of monolayers, bilayers and bulk structures. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under Contract DE-AC04-94AL85000.

Stabilization of Small Boron Cage by Transition Metal Encapsulation

NASA Astrophysics Data System (ADS)

Zhang, Lijun; Lv, Jian; Wang, Yanchao; Ma, Yanming

2015-03-01

The discovery of chemically stable fullerene-like structures formed by elements other than carbon has been long-standing desired. On this aspect significant efforts have centered around boron, only one electron deficient compared with carbon. However, during the past decade a large number of experimental and theoretical studies have established that small boron clusters are either planar/quasi-planar or forming double-ring tubular structures. Until recently, two all-boron fullerenes have been independently discovered: B38 proposed by our structure searching calculations and B40 observed in a joint experimental and theoretical study. Here we extend our work to the even smaller boron clusters and propose an effective routine to stabilize them by transition metal encapsulation. By combining swarm-intelligence structure searching and first-principles calculations, we have systematically investigated the energy landscapes of transition-metal-doped MB24 clusters (M = Ti, Zr, Hf, Cr, Mo, W, Fe, Ru and Os). Two stable symmetric endohedral boron cages, MoB24 and WB24 are identified. The stability of them can be rationalized in terms of their unique 18-electron closed-shell electronic structures. Funded by Recruitment Program of Global Experts of China and China Postdoctoral Science Foundation.

Structural characterization of Al0.55Ga0.45N epitaxial layer determined by high resolution x-ray diffraction and transmission electron microscopy

NASA Astrophysics Data System (ADS)

Xu, Qing-Jun; Liu, Bin; Zhang, Shi-Ying; Tao, Tao; Xie, Zi-Li; Xiu, Xiang-Qian; Chen, Dun-Jun; Chen, Peng; Han, Ping; Zhang, Rong; Zheng, You-Dou

2017-04-01

Not Available Project supported by the National Key Research and Development Project of China (Grant No. 2016YFB0400100), the Hi-tech Research Project of China (Grant Nos. 2014AA032605 and 2015AA033305), the National Natural Science Foundation of China (Grant Nos. 61274003, 61422401, 51461135002, and 61334009), the Natural Science Foundation of Jiangsu Province, China (Grant Nos. BY2013077, BK20141320, and BE2015111), the Project of Green Young and Golden Phenix of Yangzhou City, the Postdoctoral Sustentation Fund of Jiangsu Province, China (Grant No. 1501143B), the Project of Shandong Provinceial Higher Educational Science and Technology Program, China (Grant No. J13LN08), the Solid State Lighting and Energy-saving Electronics Collaborative Innovation Center, Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD), and Research Funds from NJU-Yangzhou Institute of Opto-electronics.

Crystal growth of device quality GaAs in space

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Lagowski, J.

1985-01-01

The present program has been aimed at solving the fundamental and technological problems associated with Crystal Growth of Device Quality in Space. The initial stage of the program was devoted strictly to ground-based research. The unsolved problems associated with the growth of bulk GaAs in the presence of gravitational forces were explored. Reliable chemical, structural and electronic characterization methods were developed which would permit the direct relation of the salient materials parameters (particularly those affected by zero gravity conditions) to the electronic characteristics of single crystal GaAs, in turn to device performance. These relationships are essential for the development of optimum approaches and techniques. It was concluded that the findings on elemental semiconductors Ge and Si regarding crystal growth, segregation, chemical composition, defect interactions, and materials properties-electronic properties relationships are not necessarily applicable to GaAs (and to other semiconductor compounds). In many instances totally unexpected relationships were found to prevail.

EBIT - Electronic Beam Ion Trap: N Divison experimental physics annual report 1995

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schneider, D.

1996-10-01

The multi-faceted research effort of the EBIT (Electron Beam Ion Trap) program in N-Division of the Physics and Space Technology Department at Lawrence Livermore National Laboratory (LLNL) continues to contribute significant results to the physical sciences from studies with low energy very highly charged heavy ions. The EBIT program attracts a number of collaborators from the US and abroad for the different projects. The collaborations are partly carried out through participating graduate students demonstrating the excellent educational capabilities at the LLNL EBIT facilities. Moreover, participants from Historically Black Colleges and Universities are engaged in the EBIT project. This report describesmore » EBIT work for 1995 in atomic structure measurements and radiative transition probabilities, spectral diagnostics for laboratory and astrophysical plasmas, ion/surface interaction studies, electron-ion interactions studies, retrap and ion collisions, and instrumental development.« less

Parameterizing water quality analysis and simulation program (WASP) for carbon-based nanomaterials

EPA Science Inventory

Carbon nanotubes (CNT) and graphenes are among the most popular carbon-based nanomaterials due to their unique electronic, mechanic and structural properties. Exposure modeling of these nanomaterials in the aquatic environment is necessary to predict the fate of these materials. ...

Structural and electronic properties of CdS/ZnS core/shell nanowires: A first-principles study

NASA Astrophysics Data System (ADS)

Kim, Hyo Seok; Kim, Yong-Hoon

2015-03-01

Carrying out density functional theory (DFT) calculation, we studied the relative effects of quantum confinement and strain on the electronic structures of II-IV semiconductor compounds with a large lattice-mismatch, CdS and ZnS, in the core/shell nanowire geometry. We considered different core radii and shell thickness of the CdS/ZnS core/shell nanowire, different surface facets, and various defects in the core/shell interface and surface regions. To properly describe the band level alignment at the core/shell boundary, we adopted the self-interaction correction (SIC)-DFT scheme. Implications of our findings in the context of device applications will be also discussed. This work was supported by the Basic Science Research Grant (No. 2012R1A1A2044793), Global Frontier Program (No. 2013-073298), and Nano-Material Technology Development Program (2012M3A7B4049888) of the National Research Foundation funded by the Ministry of Education, Science and Technology of Korea. Corresponding author

RCrane: semi-automated RNA model building.

PubMed

Keating, Kevin S; Pyle, Anna Marie

2012-08-01

RNA crystals typically diffract to much lower resolutions than protein crystals. This low-resolution diffraction results in unclear density maps, which cause considerable difficulties during the model-building process. These difficulties are exacerbated by the lack of computational tools for RNA modeling. Here, RCrane, a tool for the partially automated building of RNA into electron-density maps of low or intermediate resolution, is presented. This tool works within Coot, a common program for macromolecular model building. RCrane helps crystallographers to place phosphates and bases into electron density and then automatically predicts and builds the detailed all-atom structure of the traced nucleotides. RCrane then allows the crystallographer to review the newly built structure and select alternative backbone conformations where desired. This tool can also be used to automatically correct the backbone structure of previously built nucleotides. These automated corrections can fix incorrect sugar puckers, steric clashes and other structural problems.

A Mathematica package for calculation of planar channeling radiation spectra of relativistic electrons channeled in a diamond-structure single crystal (quantum approach)

NASA Astrophysics Data System (ADS)

Azadegan, B.

2013-03-01

The presented Mathematica code is an efficient tool for simulation of planar channeling radiation spectra of relativistic electrons channeled along major crystallographic planes of a diamond-structure single crystal. The program is based on the quantum theory of channeling radiation which has been successfully applied to study planar channeling at electron energies between 10 and 100 MeV. Continuum potentials for different planes of diamond, silicon and germanium single crystals are calculated using the Doyle-Turner approximation to the atomic scattering factor and taking thermal vibrations of the crystal atoms into account. Numerical methods are applied to solve the one-dimensional Schrödinger equation. The code is designed to calculate the electron wave functions, transverse electron states in the planar continuum potential, transition energies, line widths of channeling radiation and depth dependencies of the population of quantum states. Finally the spectral distribution of spontaneously emitted channeling radiation is obtained. The simulation of radiation spectra considerably facilitates the interpretation of experimental data. Catalog identifier: AEOH_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEOH_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 446 No. of bytes in distributed program, including test data, etc.: 209805 Distribution format: tar.gz Programming language: Mathematica. Computer: Platforms on which Mathematica is available. Operating system: Operating systems on which Mathematica is available. RAM: 1 MB Classification: 7.10. Nature of problem: Planar channeling radiation is emitted by relativistic charged particles during traversing a single crystal in direction parallel to a crystallographic plane. Channeling is modeled as the motion of charged particles in a continuous planar potential which is formed by the spatially and thermally averaged action of the individual electrostatic potentials of the crystal atoms of the corresponding plane. Classically, the motion of channeled particles through the crystal resembles transverse oscillations being the source of radiation emission. For electrons of energy less than 100 MeV considered here, planar channeling has to be treated quantum mechanically by a one-dimensional Schrödinger equation for the transverse motion. Hence, this motion of the channeled electrons is restricted to a number of discrete (bound) channeling states in the planar continuum potential, and the emission of channeling radiation is caused by spontaneous electron transitions between these eigenstates. Due to relativistic and Doppler effects, the energy of the emitted photons directed into a narrow forward cone is typically shifted up by about three to five orders of magnitude. Consequently, the observed energy spectrum of channeling radiation is characterized by a number of radiation lines in the energy domain of hard X-rays. Channeling radiation may, therefore, be applied as an intense, tunable, quasi-monochromatic X-ray source. Solution method: The problem consists in finding the electron wave function for the planar continuum potential. Both the wave functions and corresponding energies of channeling states solve the Schrödinger equation of transverse electron motion. In the framework of the so-called many-beam formalism, solving the Schrödinger equation reduces to a eigenvector-eigenvalue problem of a Hermitian matrix. For that the program employs the mathematical tools allocated in the commercial computation software Mathematica. The electric field of the atomic planes in the crystal forces dipole oscillations of the channeled charged particles. In the quantum mechanical approach, the dipole approximation is also valid for spontaneous transitions between bound states. The transition strength for dedicated states depends on the magnitude of the corresponding dipole matrix element. The photon energy correlates with the particle energy, and the spectral width of radiation lines is a function of the life times of the channeling states. Running time: The program has been tested on a PC AMD Athlon X2 245 processor 2.9 GHz with 2 GB RAM. Depending on electron energy and crystal thickness, the running time of the program amounts to 5-10 min.

CALCMIN - an EXCEL™ Visual Basic application for calculating mineral structural formulae from electron microprobe analyses

NASA Astrophysics Data System (ADS)

Brandelik, Andreas

2009-07-01

CALCMIN, an open source Visual Basic program, was implemented in EXCEL™. The program was primarily developed to support geoscientists in their routine task of calculating structural formulae of minerals on the basis of chemical analysis mainly obtained by electron microprobe (EMP) techniques. Calculation programs for various minerals are already included in the form of sub-routines. These routines are arranged in separate modules containing a minimum of code. The architecture of CALCMIN allows the user to easily develop new calculation routines or modify existing routines with little knowledge of programming techniques. By means of a simple mouse-click, the program automatically generates a rudimentary framework of code using the object model of the Visual Basic Editor (VBE). Within this framework simple commands and functions, which are provided by the program, can be used, for example, to perform various normalization procedures or to output the results of the computations. For the clarity of the code, element symbols are used as variables initialized by the program automatically. CALCMIN does not set any boundaries in complexity of the code used, resulting in a wide range of possible applications. Thus, matrix and optimization methods can be included, for instance, to determine end member contents for subsequent thermodynamic calculations. Diverse input procedures are provided, such as the automated read-in of output files created by the EMP. Furthermore, a subsequent filter routine enables the user to extract specific analyses in order to use them for a corresponding calculation routine. An event-driven, interactive operating mode was selected for easy application of the program. CALCMIN leads the user from the beginning to the end of the calculation process.

Web-Based Job Submission Interface for the GAMESS Computational Chemistry Program

ERIC Educational Resources Information Center

Perri, M. J.; Weber, S. H.

2014-01-01

A Web site is described that facilitates use of the free computational chemistry software: General Atomic and Molecular Electronic Structure System (GAMESS). Its goal is to provide an opportunity for undergraduate students to perform computational chemistry experiments without the need to purchase expensive software.

Chaplain Documentation and the Electronic Medical Record: A Survey of ACPE Residency Programs.

PubMed

Tartaglia, Alexander; Dodd-McCue, Diane; Ford, Timothy; Demm, Charles; Hassell, Alma

2016-01-01

This study explores the extent to which chaplaincy departments at ACPE-accredited residency programs make use of the electronic medical record (EMR) for documentation and training. Survey data solicited from 219 programs with a 45% response rate and interview findings from 11 centers demonstrate a high level of usage of the EMR as well as an expectation that CPE residents document each patient/family encounter. Centers provided considerable initial training, but less ongoing monitoring of chaplain documentation. Centers used multiple sources to develop documentation tools for the EMR. One center was verified as having created the spiritual assessment component of the documentation tool from a peer reviewed published model. Interviews found intermittent use of the student chart notes for educational purposes. One center verified a structured manner of monitoring chart notes as a performance improvement activity. Findings suggested potential for the development of a standard documentation tool for chaplain charting and training.

Joint Services Electronics Program: Electronics Research at the University of Texas at Austin

DTIC Science & Technology

1990-12-31

large area 2-dimensional phased arrays , and improved beam qualities . This device structure is expected to impact laser technology over a wide range...energy. In the following pages we report on two significant accomplishments. The first involves the influence oi mirror-quantum well optical coupling on... intensity enhancements in the normal direction to the mirror of a 24 (Research Unit SSE89-1, "Growth of Ill-V Compounds by Molecular Beam Epitaxy") factor of

An Electro-Optic Spatial Light Modulator for Thermoelastic Generation of Programmably Focused Ultrasound.

DTIC Science & Technology

1984-12-01

The concept proposed is an electro - optic technique that would make it possible to spatially modulate a high power pulsed laser beam to thermoelastically induce focused ultrasound in a test material. Being a purely electro - optic device, the modulator, and therefore the depth at which the acoustic focus occurs, can be programmed electronically at electronic speeds. If successful, it would become possible to scan ultrasound continuously in three dimensions within the component or structure under test. (Author)

An electro-optic spatial light modulator for thermoelastic generation of programmably focused ultrasound

NASA Astrophysics Data System (ADS)

1984-12-01

The concept proposed is an electro-optic technique that would make it possible to spatially modulate a high power pulsed laser beam to thermoelastically induce focused ultrasound in a test material. Being a purely electro-optic device, the modulator, and therefore the depth at which the acoustic focus occurs, can be programmed electronically at electronic speeds. If successful, it would become possible to scan ultrasound continuously in three dimensions within the component or structure under test.

Vectorization with SIMD extensions speeds up reconstruction in electron tomography.

PubMed

Agulleiro, J I; Garzón, E M; García, I; Fernández, J J

2010-06-01

Electron tomography allows structural studies of cellular structures at molecular detail. Large 3D reconstructions are needed to meet the resolution requirements. The processing time to compute these large volumes may be considerable and so, high performance computing techniques have been used traditionally. This work presents a vector approach to tomographic reconstruction that relies on the exploitation of the SIMD extensions available in modern processors in combination to other single processor optimization techniques. This approach succeeds in producing full resolution tomograms with an important reduction in processing time, as evaluated with the most common reconstruction algorithms, namely WBP and SIRT. The main advantage stems from the fact that this approach is to be run on standard computers without the need of specialized hardware, which facilitates the development, use and management of programs. Future trends in processor design open excellent opportunities for vector processing with processor's SIMD extensions in the field of 3D electron microscopy.

Development of an active structure flight experiment

NASA Astrophysics Data System (ADS)

Manning, R. A.; Wyse, R. E.; Schubert, S. R.

1993-02-01

The design and development of the Air Force and TRW's Advanced Control Technology Experiment (ACTEX) flight experiment is described in this paper. The overall objective of ACTEX is to provide an active structure trailblazer which will demonstrate the compatibility of active structures with operational spacecraft performance and lifetime measures. At the heart of the experiment is an active tripod driven by a digitally-programmable analog control electronics subsystem. Piezoceramic sensors and actuators embedded in a graphite epoxy host material provide the sensing and actuation mechanism for the active tripod. Low noise ground-programmable electronics provide a virtually unlimited number of control schemes that can be implemented in the space environment. The flight experiment program provides the opportunity to gather performance, reliability, adaptability, and lifetime performance data on vibration suppression hardware for the next generation of DoD and NASA spacecraft.

C2x: A tool for visualisation and input preparation for CASTEP and other electronic structure codes

NASA Astrophysics Data System (ADS)

Rutter, M. J.

2018-04-01

The c2x code fills two distinct roles. Its first role is in acting as a converter between the binary format .check files from the widely-used CASTEP [1] electronic structure code and various visualisation programs. Its second role is to manipulate and analyse the input and output files from a variety of electronic structure codes, including CASTEP, ONETEP and VASP, as well as the widely-used 'Gaussian cube' file format. Analysis includes symmetry analysis, and manipulation arbitrary cell transformations. It continues to be under development, with growing functionality, and is written in a form which would make it easy to extend it to working directly with files from other electronic structure codes. Data which c2x is capable of extracting from CASTEP's binary checkpoint files include charge densities, spin densities, wavefunctions, relaxed atomic positions, forces, the Fermi level, the total energy, and symmetry operations. It can recreate .cell input files from checkpoint files. Volumetric data can be output in formats useable by many common visualisation programs, and c2x will itself calculate integrals, expand data into supercells, and interpolate data via combinations of Fourier and trilinear interpolation. It can extract data along arbitrary lines (such as lines between atoms) as 1D output. C2x is able to convert between several common formats for describing molecules and crystals, including the .cell format of CASTEP. It can construct supercells, reduce cells to their primitive form, and add specified k-point meshes. It uses the spglib library [2] to report symmetry information, which it can add to .cell files. C2x is a command-line utility, so is readily included in scripts. It is available under the GPL and can be obtained from http://www.c2x.org.uk. It is believed to be the only open-source code which can read CASTEP's .check files, so it will have utility in other projects.

Energy consumption program: A computer model simulating energy loads in buildings

NASA Technical Reports Server (NTRS)

Stoller, F. W.; Lansing, F. L.; Chai, V. W.; Higgins, S.

1978-01-01

The JPL energy consumption computer program developed as a useful tool in the on-going building modification studies in the DSN energy conservation project is described. The program simulates building heating and cooling loads and computes thermal and electric energy consumption and cost. The accuracy of computations are not sacrificed, however, since the results lie within + or - 10 percent margin compared to those read from energy meters. The program is carefully structured to reduce both user's time and running cost by asking minimum information from the user and reducing many internal time-consuming computational loops. Many unique features were added to handle two-level electronics control rooms not found in any other program.

The 1981 NASA/ASEE Summer Faculty Fellowship Program: Research reports

NASA Technical Reports Server (NTRS)

Karr, G. R.; Dozier, J. B.; Kent, M. I.; Barfield, B. F.

1982-01-01

Research reports related to spacecraft industry technological advances, requirements, and applications were considered. Some of the topic areas addressed were: (1) Fabrication, evaluation, and use of high performance composites and ceramics, (2) antenna designs, (3) electronics and microcomputer applications and mathematical modeling and programming techniques, (4) design, fabrication, and failure detection methods for structural materials, components, and total systems, and (5) chemical studies of bindary organic mixtures and polymer synthesis. Space environment parameters were also discussed.

Instrumentation for Studies of Electron Emission and Charging From Insulators

NASA Technical Reports Server (NTRS)

Thomson, C. D.; Zavyalov, V.; Dennison, J. R.

2004-01-01

Making measurements of electron emission properties of insulators is difficult since insulators can charge either negatively or positively under charge particle bombardment. In addition, high incident energies or high fluences can result in modification of a material s conductivity, bulk and surface charge profile, structural makeup through bond breaking and defect creation, and emission properties. We discuss here some of the charging difficulties associated with making insulator-yield measurements and review the methods used in previous studies of electron emission from insulators. We present work undertaken by our group to make consistent and accurate measurements of the electron/ion yield properties for numerous thin-film and thick insulator materials using innovative instrumentation and techniques. We also summarize some of the necessary instrumentation developed for this purpose including fast response, low-noise, high-sensitivity ammeters; signal isolation and interface to standard computer data acquisition apparatus using opto-isolation, sample-and-hold, and boxcar integration techniques; computer control, automation and timing using Labview software; a multiple sample carousel; a pulsed, compact, low-energy, charge neutralization electron flood gun; and pulsed visible and UV light neutralization sources. This work is supported through funding from the NASA Space Environments and Effects Program and the NASA Graduate Research Fellowship Program.

PGOPHER in the Classroom and the Laboratory

NASA Astrophysics Data System (ADS)

Western, Colin

2015-06-01

PGOPHER is a general purpose program for simulating and fitting rotational, vibrational and electronic spectra. As it uses a graphical user interface the basic operation is sufficiently straightforward to make it suitable for use in undergraduate practicals and computer based classes. This talk will present two experiments that have been in regular use by Bristol undergraduates for some years based on the analysis of infra-red spectra of cigarette smoke and, for more advanced students, visible and near ultra-violet spectra of a nitrogen discharge and a hydrocarbon flame. For all of these the rotational structure is analysed and used to explore ideas of bonding. The talk will discuss the requirements for the apparatus and the support required. Other ideas for other possible experiments and computer based exercises will also be presented, including a group exercise. The PGOPHER program is open source, and is available for Microsoft Windows, Apple Mac and Linux. It can be freely downloaded from the supporting website http://pgopher.chm.bris.ac.uk. The program does not require any installation process, so can be run on student's own machines or easily setup on classroom or laboratory computers. PGOPHER, a Program for Simulating Rotational, Vibrational and Electronic Structure, C. M. Western, University of Bristol, http://pgopher.chm.bris.ac.uk PGOPHER version 8.0, C M Western, 2014, University of Bristol Research Data Repository, doi:10.5523/bris.huflggvpcuc1zvliqed497r2

GE--Structured Analysis and Design Training.

ERIC Educational Resources Information Center

Towne, Violet A.

At the request of General Electric-Utica (GE), the State University of New York Institute of Technology at Utica/Rome and the Mohawk Valley Regional Education Center for Economic Development have developed a program to train GE software development personnel. GE is involved in the development of aerospace electronic equipment and related software…

Library Databases as Unexamined Classroom Technologies

ERIC Educational Resources Information Center

Faix, Allison

2014-01-01

In their 1994 article, "The Politics of the Interface: Power and its Exercise in Electronic Contact Zones," compositionists Cynthia Selfe and Richard Selfe give examples of how certain features of word processing software and other programs used in writing classrooms (including their icons, clip art, interfaces, and file structures) can…

76 FR 12318 - Submission for OMB Review; Comment Request

Federal Register 2010, 2011, 2012, 2013, 2014

2011-03-07

... Number: 0607-0947. Form Number(s): None. All information will be collected electronically. Type of... extend that research to further specify the segments and to learn about their stability and structure. The results of CBAMS II will inform the market research program and communications for Census 2020...

Joint Services Electronics Program Annual Progress Report.

DTIC Science & Technology

1985-11-01

one symbol memory) adaptive lHuffman codes were performed, and the compression achieved was compared with that of Ziv - Lempel coding. As was expected...MATERIALS 8 4. Information Systems 9 4.1 REAL TIME STATISTICAL DATA PROCESSING 9 -. 4.2 DATA COMPRESSION for COMPUTER DATA STRUCTURES 9 5. PhD...a. Real Time Statistical Data Processing (T. Kailatb) b. Data Compression for Computer Data Structures (J. Gill) Acces Fo NTIS CRA&I I " DTIC TAB

Technology for large space systems: A bibliography with indexes (supplement 20)

NASA Technical Reports Server (NTRS)

1989-01-01

This bibliography lists 694 reports, articles, and other documents introduced into the NASA Scientific and Technical Information System between July, 1988 and December, 1988. Its purpose is to provide helpful information to the researcher or manager engaged in the development of technologies related to large space systems. Subject areas include mission and program definition, design techniques, structural and thermal analysis, structural dynamics and control systems, electronics, advanced materials, assembly concepts, and propulsion.

Development program on a Spindt cold-cathode electron gun

NASA Technical Reports Server (NTRS)

Spindt, C. A.

1982-01-01

A thin film field emission cathode (TFFEC) array and a cold cathode electron gun based on the emitter were developed. A microwave tube gun that uses the thin film field emission cathode as an electron source is produced. State-of-the-art cathodes were fabricated and tested. The tip-packing density of the arrays were increased thereby increasing the cathode's current density capability. The TFFEC is based on the well known field emission effect and was conceived to exploit the advantages of that phenomenon while minimizing the difficulties associated with conventional field emission structures, e.g. limited life and high voltage requirements. Field emission follows the Fowler-Nordheim equation.

Finite element analyses of a linear-accelerator electron gun

NASA Astrophysics Data System (ADS)

Iqbal, M.; Wasy, A.; Islam, G. U.; Zhou, Z.

2014-02-01

Thermo-structural analyses of the Beijing Electron-Positron Collider (BEPCII) linear-accelerator, electron gun, were performed for the gun operating with the cathode at 1000 °C. The gun was modeled in computer aided three-dimensional interactive application for finite element analyses through ANSYS workbench. This was followed by simulations using the SLAC electron beam trajectory program EGUN for beam optics analyses. The simulations were compared with experimental results of the assembly to verify its beam parameters under the same boundary conditions. Simulation and test results were found to be in good agreement and hence confirmed the design parameters under the defined operating temperature. The gun is operating continuously since commissioning without any thermal induced failures for the BEPCII linear accelerator.

Finite element analyses of a linear-accelerator electron gun.

PubMed

Iqbal, M; Wasy, A; Islam, G U; Zhou, Z

2014-02-01

Thermo-structural analyses of the Beijing Electron-Positron Collider (BEPCII) linear-accelerator, electron gun, were performed for the gun operating with the cathode at 1000 °C. The gun was modeled in computer aided three-dimensional interactive application for finite element analyses through ANSYS workbench. This was followed by simulations using the SLAC electron beam trajectory program EGUN for beam optics analyses. The simulations were compared with experimental results of the assembly to verify its beam parameters under the same boundary conditions. Simulation and test results were found to be in good agreement and hence confirmed the design parameters under the defined operating temperature. The gun is operating continuously since commissioning without any thermal induced failures for the BEPCII linear accelerator.

Structure Functions of Bound Neutrons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sebastian Kuhn

2005-04-01

We describe an experiment measuring electron scattering on a neutron bound in deuterium with coincident detection of a fast, backward-going spectator proton. Our data map out the relative importance of the pure PWIA spectator mechanism and final state interactions in various kinematic regions, and give a first glimpse of the modification of the structure function of a bound neutron as a function of its off-shell mass. We also discuss a new experimental program to study the structure of a free neutron by extending the same technique to much lower spectator momenta.

Performance optimization of Qbox and WEST on Intel Knights Landing

NASA Astrophysics Data System (ADS)

Zheng, Huihuo; Knight, Christopher; Galli, Giulia; Govoni, Marco; Gygi, Francois

We present the optimization of electronic structure codes Qbox and WEST targeting the Intel®Xeon Phi™processor, codenamed Knights Landing (KNL). Qbox is an ab-initio molecular dynamics code based on plane wave density functional theory (DFT) and WEST is a post-DFT code for excited state calculations within many-body perturbation theory. Both Qbox and WEST employ highly scalable algorithms which enable accurate large-scale electronic structure calculations on leadership class supercomputer platforms beyond 100,000 cores, such as Mira and Theta at the Argonne Leadership Computing Facility. In this work, features of the KNL architecture (e.g. hierarchical memory) are explored to achieve higher performance in key algorithms of the Qbox and WEST codes and to develop a road-map for further development targeting next-generation computing architectures. In particular, the optimizations of the Qbox and WEST codes on the KNL platform will target efficient large-scale electronic structure calculations of nanostructured materials exhibiting complex structures and prediction of their electronic and thermal properties for use in solar and thermal energy conversion device. This work was supported by MICCoM, as part of Comp. Mats. Sci. Program funded by the U.S. DOE, Office of Sci., BES, MSE Division. This research used resources of the ALCF, which is a DOE Office of Sci. User Facility under Contract DE-AC02-06CH11357.

ES12; The 24th Annual Workshop on Recent Developments in Electronic Structure Theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Holzwarth, Natalie; Thonhauser, Timo; Salam, Akbar

ES12: The 24th Annual Workshop on Recent Developments in Electronic Structure Theory was held June 5-8, 2012 at Wake Forest University in Winston-Salem, NC 27109. The program consisted of 24 oral presentations, 70 posters, and 2 panel discussions. The attendance of the Workshop was comparable to or larger than previous workshops and participation was impressively diverse. The 136 participants came from all over the world and included undergraduate students, graduate students, postdoctoral researchers, and senior scientists. The general assessment of the Workshop was extremely positive in terms of the high level of scientific presentations and discussions, and in terms ofmore » the schedule, accommodations, and affordability of the meeting.« less

Magnetic field effects on the local electronic structure near a single impurity in Graphene

NASA Astrophysics Data System (ADS)

Yang, Ling; Zhu, Jian-Xin; Tsai, Shan-Wen

2011-03-01

Impurities in graphene can have a significant effect on the local electronic structure of graphene when the Fermi level is near the Dirac point. We study the problem of an isolated impurity in a single layer graphene in the presence of a perpendicular magnetic field. We use a linearization approximation for the energy dispersion and employ a T-matrix formalism to calculate the Green's function. We investigate the effect of an external magnetic field on the Friedel oscillations and impurity-induced resonant states. Different types of impurities, such as vacancies, substitutional impurities, and adatoms, are also considered. LY and SWT acknowledge financial support from NSF(DMR-0847801)and from the UC Lab Fees Research Program.

Thermal stability of MBE-grown epitaxial MoSe2 and WSe2 thin films

NASA Astrophysics Data System (ADS)

Chang, Young Jun; Choy, Byoung Ki; Phark, Soo-Hyon; Kim, Minu

Layered transition metal dichalcogenides (TMDs) draw much attention, because of its unique optical properties and band structures depending on the layer thicknesses. However, MBE growth of epitaxial films demands information about thermal stability of stoichiometry and related electronic structure for high temperature range. We grow epitaxial MoSe2 and WSe2 ultrathin films by using molecular beam epitaxy (MBE). We characterize stoichiometry of films grown at various growth temperature by using various methods, XPS, EDX, and TOF-MEIS. We further test high temperature stability of electronic structure for those films by utilizing in-situ ellipsometry attached to UHV chamber. We discuss threshold temperatures up to 700~1000oC, at which electronic phases changes from semiconductor to metal due to selenium deficiency. This information can be useful for potential application of TMDs for fabrication of Van der Waals multilayers and related devices. This research was supported by Nano.Material Technology Development Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT and Future Planning. (2009-0082580), NRF-2014R1A1A1002868.

Visualization of the ultrafast structural phase transitions in warm dense matter

NASA Astrophysics Data System (ADS)

Mo, Mianzhen

2017-10-01

It is still a great challenge to obtain real-time atomistic-scale information on the structural phase transitions that lead to warm dense matter state. Recent advances in ultrafast electron diffraction (UED) techniques have opened up exciting prospects to unravel the mechanisms of solid-liquid phase transitions under these extreme non-equilibrium conditions. Here we report on precise measurements of melt time dependency on laser excitation energy density that resolve for the first time the transition from heterogeneous to homogeneous melting. This transition appears in both polycrystalline and single-crystal gold nanofilms with distinct measurable differences. These results test predictions from molecular-dynamics simulations with different interatomic potential models. These data further deliver accurate structure factor data to large wavenumbers that allow us to constrain electron-ion equilibration constants. Our results demonstrate electron-phonon coupling strength much weaker than DFT calculations, and contrary to previous results, provide evidence for bond softening. This work is supported by DOE Office of Science, Fusion Energy Science under FWP 100182, and the DOE BES Accelerator and Detector R&D program.

Collective electron driven linac for high energy physics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seeman, J.T.

1983-08-01

A linac design is presented in which an intense ultrarelativistic electron bunch is used to excite fields in a series of cavities and accelerate charged particles. The intense electron bunch is generated in a simple storage ring to have the required transverse and longitudinal dimensions. The bunch is then transferred to the linac. The linac structure can be inexpensively constructed of spacers and washers. The fields in the cells resulting from the bunch passage are calculated using the program BCI. The results show that certain particles within the driving bunch and also trailing particles of any sign charge can bemore » accelerated. With existing electron storage rings, accelerating gradients greater than 16 MV/m are possible. Examples of two accelerators are given: a 30 GeV electron/positron accelerator useful as an injector for a high energy storage ring and 2) a 110 GeV per beam electron-positron collider.« less

Dynamical calculations for RHEED intensity oscillations

NASA Astrophysics Data System (ADS)

Daniluk, Andrzej

2005-03-01

A practical computing algorithm working in real time has been developed for calculating the reflection high-energy electron diffraction from the molecular beam epitaxy growing surface. The calculations are based on the use of a dynamical diffraction theory in which the electrons are taken to be diffracted by a potential, which is periodic in the dimension perpendicular to the surface. The results of the calculations are presented in the form of rocking curves to illustrate how the diffracted beam intensities depend on the glancing angle of the incident beam. Program summaryTitle of program: RHEED Catalogue identifier:ADUY Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADUY Program obtainable from:CPC Program Library, Queen's University of Belfast, N. Ireland Computer for which the program is designed and others on which it has been tested: Pentium-based PC Operating systems or monitors under which the program has been tested: Windows 9x, XP, NT, Linux Programming language used: Borland C++ Memory required to execute with typical data: more than 1 MB Number of bits in a word: 64 bits Number of processors used: 1 Distribution format:tar.gz Number of lines in distributed program, including test data, etc.:982 Number of bytes in distributed program, including test data, etc.: 126 051 Nature of physical problem: Reflection high-energy electron diffraction (RHEED) is a very useful technique for studying growth and surface analysis of thin epitaxial structures prepared by the molecular beam epitaxy (MBE). Nowadays, RHEED is used in many laboratories all over the world where researchers deal with the growth of materials by MBE. The RHEED technique can reveal, almost instantaneously, changes either in the coverage of the sample surface by adsorbates or in the surface structure of a thin film. In most cases the interpretation of experimental results is based on the use of dynamical diffraction approaches. Such approaches are said to be quite useful in qualitative and quantitative analysis of RHEED experimental data. Method of solution: RHEED intensities are calculated within the framework of the general matrix formulation of Peng and Whelan [Surf. Sci. Lett. 238 (1990) L446] under the one-beam condition. The dynamical diffraction calculations presented in this paper utilize the systematic reflection case in RHEED, in which the atomic potential in the planes parallel to the surface are projected on the surface normal, so that the results are insensitive to the atomic arrangement in the layers parallel to the surface. This model shows a systematic approximation in calculating dynamical RHEED intensities, and only a layer coverage factor for the nth layer was taken into account in calculating the interaction potential between the fast electron and that layer. Typical running time: The typical running time is machine and user-parameters dependent. Unusual features of the program: The program is presented in the form of a basic unit RHEED.cpp and should be compiled using C++ compilers, including C++ Builder and g++.

Computation of Flow Through Water-Control Structures Using Program DAMFLO.2

USGS Publications Warehouse

Sanders, Curtis L.; Feaster, Toby D.

2004-01-01

As part of its mission to collect, analyze, and store streamflow data, the U.S. Geological Survey computes flow through several dam structures throughout the country. Flows are computed using hydraulic equations that describe flow through sluice and Tainter gates, crest gates, lock gates, spillways, locks, pumps, and siphons, which are calibrated using flow measurements. The program DAMFLO.2 was written to compute, tabulate, and plot flow through dam structures using data that describe the physical properties of dams and various hydraulic parameters and ratings that use time-varying data, such as lake elevations or gate openings. The program uses electronic computer files of time-varying data, such as lake elevation or gate openings, retrieved from the U.S. Geological Survey Automated Data Processing System. Computed time-varying flow data from DAMFLO.2 are output in flat files, which can be entered into the Automated Data Processing System database. All computations are made in units of feet and seconds. DAMFLO.2 uses the procedures and language developed by the SAS Institute Inc.

Chemistry of MOS-LSI radiation hardening

NASA Technical Reports Server (NTRS)

Grunthaner, P.

1985-01-01

The objective of this task was to obtain chemical information on MOS test samples. Toward this end, high resolution X-ray photoemission spectroscopy (XPS) has been the primary techniques used to characterize the chemistry and structure of the SiO2/Si interface for a variety of MOS structures with differing degrees of susceptibility to damage by ionizing radiation. The major accomplishments of this program are: (1) the identification of a structurally distinct region of SiO2 in the near-interfacial region of thermal SiO2 on Si; (2) the identification in the near-interfacial region of SiO2 structural differences between radiation hard and soft gate oxides; (3) the direct observation of radiation-induced damage sites in thermal SiO2 with XPS using in situ electron stress; (4) the correlation of suboxide state distributions at the SiO2/Si interface with processing parameters and radiation susceptibility; (5) the development of a chemical mechanism for radiation-induced interface state generation in SiO2/Si structures; and (6) the development benign chemical profiling techniques which permit the investigation of oxide/semiconductor structures using surface sensitive electron spectroscopic techniques.

CRITIC2: A program for real-space analysis of quantum chemical interactions in solids

NASA Astrophysics Data System (ADS)

Otero-de-la-Roza, A.; Johnson, Erin R.; Luaña, Víctor

2014-03-01

We present CRITIC2, a program for the analysis of quantum-mechanical atomic and molecular interactions in periodic solids. This code, a greatly improved version of the previous CRITIC program (Otero-de-la Roza et al., 2009), can: (i) find critical points of the electron density and related scalar fields such as the electron localization function (ELF), Laplacian, … (ii) integrate atomic properties in the framework of Bader’s Atoms-in-Molecules theory (QTAIM), (iii) visualize non-covalent interactions in crystals using the non-covalent interactions (NCI) index, (iv) generate relevant graphical representations including lines, planes, gradient paths, contour plots, atomic basins, … and (v) perform transformations between file formats describing scalar fields and crystal structures. CRITIC2 can interface with the output produced by a variety of electronic structure programs including WIEN2k, elk, PI, abinit, Quantum ESPRESSO, VASP, Gaussian, and, in general, any other code capable of writing the scalar field under study to a three-dimensional grid. CRITIC2 is parallelized, completely documented (including illustrative test cases) and publicly available under the GNU General Public License. Catalogue identifier: AECB_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AECB_v2_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: yes No. of lines in distributed program, including test data, etc.: 11686949 No. of bytes in distributed program, including test data, etc.: 337020731 Distribution format: tar.gz Programming language: Fortran 77 and 90. Computer: Workstations. Operating system: Unix, GNU/Linux. Has the code been vectorized or parallelized?: Shared-memory parallelization can be used for most tasks. Classification: 7.3. Catalogue identifier of previous version: AECB_v1_0 Journal reference of previous version: Comput. Phys. Comm. 180 (2009) 157 Nature of problem: Analysis of quantum-chemical interactions in periodic solids by means of atoms-in-molecules and related formalisms. Solution method: Critical point search using Newton’s algorithm, atomic basin integration using bisection, qtree and grid-based algorithms, diverse graphical representations and computation of the non-covalent interactions index on a three-dimensional grid. Additional comments: !!!!! The distribution file for this program is over 330 Mbytes and therefore is not delivered directly when download or Email is requested. Instead a html file giving details of how the program can be obtained is sent. !!!!! Running time: Variable, depending on the crystal and the source of the underlying scalar field.

Writing Electron Dot Structures: Abstract of Issue 9905M

NASA Astrophysics Data System (ADS)

Magnell, Kenneth R.

1999-10-01

Writing Electron Dot Structures is a computer program for Mac OS that provides drill with feedback for students learning to write electron dot structures. While designed for students in the first year of college general chemistry it may also be used by high school chemistry students. A systematic method similar to that found in many general chemistry texts is employed:

1. determine the number of valence shell electrons,
2. select the central atom,
3. construct a skeleton,
4. add electrons to complete octets,
5. examine the structure for resonance forms.

Technology for large space systems: A bibliography with indexes (supplement 22)

NASA Technical Reports Server (NTRS)

1990-01-01

This bibliography lists 1077 reports, articles, and other documents introduced into the NASA Scientific and Technical Information System between July 1, 1989 and December 31, 1989. Its purpose is to provide helpful information to the researcher or manager engaged in the development of technologies related to large space systems. Subject areas include mission and program definition, design techniques, structural and thermal analysis, structural dynamics and control systems, electronics, advanced materials, assembly concepts, and propulsion.

Miniature low voltage beam systems producable by combined lithographies

NASA Astrophysics Data System (ADS)

Koops, Hans W. P.; Munro, Eric; Rouse, John; Kretz, Johannes; Rudolph, Michael; Weber, Markus; Dahm, Gerold

The project of a miniaturized vacuum microelectronic 100 GHz switch is described. It implies the development of a field emission electron gun as well as the investigation of miniaturized lenses and deflectors. Electrostatic elements are designed and developed for this application. Connector pads and wiring pattern are created by conventional electron beam lithography and a lift-off or etching process. Wire and other 3-dimensional structures are grown using electron beam induced deposition. This additive lithography allows to form electrodes and resistors of a preset conductivity. The scanning electron microscope features positioning the structures with nm precision. An unconventional lithography system is used that is capable of controlling the pixel dwell time within a shape with different time functions. With this special function 3-dimensional structures can be generated like free standing square shaped electrodes. The switch is built by computer controlled additive lithography avoiding assembly from parts. Lenses of micrometer dimensions were investigated with numerical electron optics programs computing the 3-dimensional potential and field distribution. From the extracted axial field distribution the electron optic characteristic parameters, like focal length, chromatic and spherical aberration, were calculated for various lens excitations. The analysis reveals that miniaturized optics for low energy electrons, as low as 30 eV, are diffraction limited. For a lens with 2 μm focal length, a chromatic aberration disc of 1 nm contributes to 12 nm diffraction disc. The spherical aberration blurs the probe by 0.02 nm, assuming an aperture of 0.01 rad. Employing hydrogen ions at 100 V, a probe diameter of 0.3 nm generated by chromatic aberration is possible. Miniaturized electron optical probe forming systems and imaging systems can be constructed with those lenses. Its application as lithography systems with massive parallel beams can be forseen.

Cryo-transmission electron microscopy structure of a gigadalton peptide fiber of de novo design

PubMed Central

Sharp, Thomas H.; Bruning, Marc; Mantell, Judith; Sessions, Richard B.; Thomson, Andrew R.; Zaccai, Nathan R.; Brady, R. Leo; Verkade, Paul; Woolfson, Derek N.

2012-01-01

Nature presents various protein fibers that bridge the nanometer to micrometer regimes. These structures provide inspiration for the de novo design of biomimetic assemblies, both to address difficulties in studying and understanding natural systems, and to provide routes to new biomaterials with potential applications in nanotechnology and medicine. We have designed a self-assembling fiber system, the SAFs, in which two small α-helical peptides are programmed to form a dimeric coiled coil and assemble in a controlled manner. The resulting fibers are tens of nm wide and tens of μm long, and, therefore, comprise millions of peptides to give gigadalton supramolecular structures. Here, we describe the structure of the SAFs determined to approximately 8 Å resolution using cryotransmission electron microscopy. Individual micrographs show clear ultrastructure that allowed direct interpretation of the packing of individual α-helices within the fibers, and the construction of a 3D electron density map. Furthermore, a model was derived using the cryotransmission electron microscopy data and side chains taken from a 2.3 Å X-ray crystal structure of a peptide building block incapable of forming fibers. This was validated using single-particle analysis techniques, and was stable in prolonged molecular-dynamics simulation, confirming its structural viability. The level of self-assembly and self-organization in the SAFs is unprecedented for a designed peptide-based material, particularly for a system of considerably reduced complexity compared with natural proteins. This structural insight is a unique high-resolution description of how α-helical fibrils pack into larger protein fibers, and provides a basis for the design and engineering of future biomaterials. PMID:22847414

The MOLLER Experiment: ``An Ultra-precise Measurement of the Weak Charge of the Electron using moller Scattering''

NASA Astrophysics Data System (ADS)

Beminiwattha, Rakitha; Moller Collaboration

2017-09-01

Parity Violating Electron Scattering (PVES) is an extremely successful precision frontier tool that has been used for testing the Standard Model (SM) and understanding nucleon structure. Several generations of highly successful PVES programs at SLAC, MIT-Bates, MAMI-Mainz, and Jefferson Lab have contributed to the understanding of nucleon structure and testing the SM. But missing phenomena like matter-antimatter asymmetry, neutrino flavor oscillations, and dark matter and energy suggest that the SM is only a `low energy' effective theory. The MOLLER experiment at Jefferson Lab will measure the weak charge of the electron, QWe = 1 - 4sin2θW , with a precision of 2.4 % by measuring the parity violating asymmetry in electron-electron () scattering and will be sensitive to subtle but measurable deviations from precisely calculable predictions from the SM. The MOLLER experiment will provide the best contact interaction search for leptons at low OR high energy makes it a probe of physics beyond the Standard Model with sensitivities to mass-scales of new PV physics up to 7.5 TeV. Overview of the experiment and recent pre-R&D progress will be reported.

Teaching Business Cases Online through Discussion Boards: Strategies and Best Practices

ERIC Educational Resources Information Center

Rollag, Keith

2010-01-01

What are the most effective and efficient ways to teach business cases online, specifically in asynchronous electronic discussion boards? This article describes several design strategies and approaches used by instructors at Babson College to structure and facilitate online case discussions in our blended Fast Track MBA program. (Contains 3 notes,…

An Exploratory Study of Software Cost Estimating at the Electronic Systems Division.

DTIC Science & Technology

1976-07-01

action’. to improve the software cost Sestimating proces., While thin research was limited to the M.nD onvironment, the same types of problema may exist...Methods in Social Science. Now York: Random House, 1969. 57. Smith, Ronald L. Structured Programming Series (Vol. XI) - Estimating Software Project

Establishing an Environmental Scanning System to Augment College and University Planning.

ERIC Educational Resources Information Center

Morrison, James L.

A plan to establish an environmental scanning and forecasting system for colleges and universities is discussed as a way to maximize long-range planning. After proposing a program structure, attention is directed to methods of gaining organizational acceptance, developing a comprehensive taxonomy with an electronic filing system, identifying and…

Model tool to describe chemical structures in XML format utilizing structural fragments and chemical ontology.

PubMed

Sankar, Punnaivanam; Alain, Krief; Aghila, Gnanasekaran

2010-05-24

We have developed a model structure-editing tool, ChemEd, programmed in JAVA, which allows drawing chemical structures on a graphical user interface (GUI) by selecting appropriate structural fragments defined in a fragment library. The terms representing the structural fragments are organized in fragment ontology to provide a conceptual support. ChemEd describes the chemical structure in an XML document (ChemFul) with rich semantics explicitly encoding the details of the chemical bonding, the hybridization status, and the electron environment around each atom. The document can be further processed through suitable algorithms and with the support of external chemical ontologies to generate understandable reports about the functional groups present in the structure and their specific environment.

Gluons and the quark sea at high energies: distributions, polarization, tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boer, D.; Venugopalan, R.; Diehl, M.

2011-09-30

This report is based on a ten-week program on Gluons and the quark sea at high-energies, which took place at the Institute for Nuclear Theory (INT) in Seattle in Fall 2010. The principal aim of the program was to develop and sharpen the science case for an Electron-Ion Collider (EIC), a facility that will be able to collide electrons and positrons with polarized protons and with light to heavy nuclei at high energies, offering unprecedented possibilities for in-depth studies of quantum chromodynamics (QCD). This report is organized around the following four major themes: (i) the spin and flavor structure ofmore » the proton, (ii) three dimensional structure of nucleons and nuclei in momentum and configuration space, (iii) QCD matter in nuclei, and (iv) Electroweak physics and the search for physics beyond the Standard Model. Beginning with an executive summary, the report contains tables of key measurements, chapter overviews for each of the major scientific themes, and detailed individual contributions on various aspects of the scientific opportunities presented by an EIC.« less

Carbohydrate structure: the rocky road to automation.

PubMed

Agirre, Jon; Davies, Gideon J; Wilson, Keith S; Cowtan, Kevin D

2017-06-01

With the introduction of intuitive graphical software, structural biologists who are not experts in crystallography are now able to build complete protein or nucleic acid models rapidly. In contrast, carbohydrates are in a wholly different situation: scant automation exists, with manual building attempts being sometimes toppled by incorrect dictionaries or refinement problems. Sugars are the most stereochemically complex family of biomolecules and, as pyranose rings, have clear conformational preferences. Despite this, all refinement programs may produce high-energy conformations at medium to low resolution, without any support from the electron density. This problem renders the affected structures unusable in glyco-chemical terms. Bringing structural glycobiology up to 'protein standards' will require a total overhaul of the methodology. Time is of the essence, as the community is steadily increasing the production rate of glycoproteins, and electron cryo-microscopy has just started to image them in precisely that resolution range where crystallographic methods falter most. Copyright © 2016 Elsevier Ltd. All rights reserved.

The control and data acquisition structure for the GAMMA-400 space gamma-telescope

NASA Astrophysics Data System (ADS)

Arkhangelskiy, Andrey

2016-07-01

The GAMMA-400 space project is intended for precision investigation of the cosmic gamma-emission in the energy band from keV region up to several TeV, electrons and positrons fluxes from ˜~1~GeV up to ˜~10~TeV and high energy cosmic-ray nuclei fluxes. A description of the control and data acquisition structure for gamma-telescope involved in the GAMMA 400 space project is given. The technical capabilities of all specialized equipment providing the functioning of the scientific instrumentation and satellite support systems are unified in a single structure. Control of the scientific instruments is maintained using one-time pulse radio commands and program commands transmitted via onboard control system and scientific data acquisition system. Up to 100~GByte of data per day can be transferred to the ground segment of the project. The correctness of the proposed and implemented structure, engineering solutions and electronic elemental base selection has been verified experimentally with the scientific complex prototype in the laboratory conditions.

Effective electron-density map improvement and structure validation on a Linux multi-CPU web cluster: The TB Structural Genomics Consortium Bias Removal Web Service.

PubMed

Reddy, Vinod; Swanson, Stanley M; Segelke, Brent; Kantardjieff, Katherine A; Sacchettini, James C; Rupp, Bernhard

2003-12-01

Anticipating a continuing increase in the number of structures solved by molecular replacement in high-throughput crystallography and drug-discovery programs, a user-friendly web service for automated molecular replacement, map improvement, bias removal and real-space correlation structure validation has been implemented. The service is based on an efficient bias-removal protocol, Shake&wARP, and implemented using EPMR and the CCP4 suite of programs, combined with various shell scripts and Fortran90 routines. The service returns improved maps, converted data files and real-space correlation and B-factor plots. User data are uploaded through a web interface and the CPU-intensive iteration cycles are executed on a low-cost Linux multi-CPU cluster using the Condor job-queuing package. Examples of map improvement at various resolutions are provided and include model completion and reconstruction of absent parts, sequence correction, and ligand validation in drug-target structures.

Basic Research in Electronics (JSEP) Joint Services Electronics Program.

DTIC Science & Technology

1987-12-31

poiNU362Z~ fi5v WALu i~n v.j WSW)F fulmB JELECTROUICS FROMM. (U) POLYTECHNIC UII FAW1406lL WY MEKR RESERCH INST At A OLINEN ET ft. 31 DEC S? UmC...range, as discussed in section 3. The fifth topic relates to a superstrate-substrate structure that permits a simple printed-circuit antenna to radiate...Antennas Loaded by Periodic Metal Strips. In last year’s Annual Report we presented a simple and accurate transverse equivalent network for the class

Scaling Projections for Sb-based p-channel FETs

DTIC Science & Technology

2010-01-01

the products of long-standing programs on antimonide growth by molecular beam epitaxy at the QinetiQ Corp. (for InSb) and at the Naval Research...electron mobilities in the channels of III–V HEMTs at room temperature are much higher than in Si or Ge, e.g., in InAs they are in the range of 20–30,000 cm2... HEMT structures. IEEE Trans Electron Dev 1985;32:11. [25] Awano Y, Kosugi M, Kosemura K, Mimura T, Abe M. Short-channel effects in subquarter

Electron Correlation and Tranport Properties in Nuclear Fuel Materials

NASA Astrophysics Data System (ADS)

Yin, Quan; Haule, Kristjan; Kotliar, Gabriel; Savrasov, Sergey; Pickett, Warren

2011-03-01

Using first principle LDA+DMFT method, we conduct a systematic study on the correlated electronic structures and transport properties of select actinide carbides, nitrides, and oxides, many of which are nuclear fuel materials. Our results capture the metal--insulator Mott transition within the studied systems, and the appearance of the Zhang-Rice state in uranium dioxide. More importantly, by understanding the physics underlying their transport properties, we suggest ways to improve the efficiency of currently used fuels. This work is supported by the DOE Nuclear Energy University Program, contract No. 00088708.

Oxygen vacancy ordering in transition-metal-oxide LaCoO3 films

NASA Astrophysics Data System (ADS)

Biskup, Neven; Salafranca, Juan; Mehta, Virat; Suzuki, Yuri; Pennycook, Stephen; Pantelides, Sokrates; Varela, Maria

2013-03-01

Oxygen vacancies in complex oxides affect the structure and the electronic and magnetic properties. Here we use atomically-resolved Z-contrast imaging, electron-energy-loss spectroscopy and densityfunctional calculations to demonstrate that ordered oxygen vacancies may act as the controlling degree of freedom for the structural, electronic, and magnetic properties of LaCoO3 thin films. We find that epitaxial strain is released through the formation of O vacancy superlattices. The O vacancies donate excess electrons to the Co d-states, resulting in ferromagnetic ordering. The appearance of Peierls-like minigaps followed by strain relaxation triggers a nonlinear rupture of the energy bands, which explains the observed insulating behavior. We conclude that oxygen vacancy ordering constitutes a degree of freedom that can be used to engineer novel behavior in complex-oxide films. Research at ORNL supported by U.S. DOE-BES, Materials Sciences and Engineering Div. and by ORNL's ShaRE User Program (DOE-BES), at UCM by the ERC Starting Inv. Award, at UC Berkeley and LBNL by BES-DMSE, at Vanderbilt by U.S DOE and the McMinn Endowment.

Electronic and Thermoelectric Properties of Ternary Chalcohalide Semiconductors: First Principles Study

NASA Astrophysics Data System (ADS)

Khan, Wilayat; Hussain, Sajjad; Minar, Jan; Azam, Sikander

2018-02-01

Ternary chalcohalides have been widely utilized for different device applications. The thermoelectric properties of SbSI, SbSeI and SbSBr have been investigated by theoretical simulations, and the findings have been performed using BoltzTraP code, based on semi-classical Boltzmann transport theory. In this study, we simulated the electronic structures using the Englo-Vosko generalized gradient approximation employed in the WIEN2k program. From the electronic band structures, we found a combination of light and heavy bands around the Fermi level in the valence band, which strongly affect the effective masses of the carriers. The entire thermoelectric parameters, like the electrical, the electronic part of the thermal conductivities, the Seebeck coefficient and the power factor have been analysed as functions of temperature and chemical potential. The correlation between the effective masses and the thermoelectric properties is also included in the discussion because the effective mass reveals the mobility of the carriers which in turn affect the thermoelectric properties. The substitution of sulfur reveals high electrical conductivity and a smaller Seebeck coefficient based on effective mass leads to the increase in the power factor.

Structural and electron diffraction scaling of twisted graphene bilayers

NASA Astrophysics Data System (ADS)

Zhang, Kuan; Tadmor, Ellad B.

2018-03-01

Multiscale simulations are used to study the structural relaxation in twisted graphene bilayers and the associated electron diffraction patterns. The initial twist forms an incommensurate moiré pattern that relaxes to a commensurate microstructure comprised of a repeating pattern of alternating low-energy AB and BA domains surrounding a high-energy AA domain. The simulations show that the relaxation mechanism involves a localized rotation and shrinking of the AA domains that scales in two regimes with the imposed twist. For small twisting angles, the localized rotation tends to a constant; for large twist, the rotation scales linearly with it. This behavior is tied to the inverse scaling of the moiré pattern size with twist angle and is explained theoretically using a linear elasticity model. The results are validated experimentally through a simulated electron diffraction analysis of the relaxed structures. A complex electron diffraction pattern involving the appearance of weak satellite peaks is predicted for the small twist regime. This new diffraction pattern is explained using an analytical model in which the relaxation kinematics are described as an exponentially-decaying (Gaussian) rotation field centered on the AA domains. Both the angle-dependent scaling and diffraction patterns are in quantitative agreement with experimental observations. A Matlab program for extracting the Gaussian model parameters accompanies this paper.

An open-source framework for analyzing N-electron dynamics. II. Hybrid density functional theory/configuration interaction methodology.

PubMed

Hermann, Gunter; Pohl, Vincent; Tremblay, Jean Christophe

2017-10-30

In this contribution, we extend our framework for analyzing and visualizing correlated many-electron dynamics to non-variational, highly scalable electronic structure method. Specifically, an explicitly time-dependent electronic wave packet is written as a linear combination of N-electron wave functions at the configuration interaction singles (CIS) level, which are obtained from a reference time-dependent density functional theory (TDDFT) calculation. The procedure is implemented in the open-source Python program detCI@ORBKIT, which extends the capabilities of our recently published post-processing toolbox (Hermann et al., J. Comput. Chem. 2016, 37, 1511). From the output of standard quantum chemistry packages using atom-centered Gaussian-type basis functions, the framework exploits the multideterminental structure of the hybrid TDDFT/CIS wave packet to compute fundamental one-electron quantities such as difference electronic densities, transient electronic flux densities, and transition dipole moments. The hybrid scheme is benchmarked against wave function data for the laser-driven state selective excitation in LiH. It is shown that all features of the electron dynamics are in good quantitative agreement with the higher-level method provided a judicious choice of functional is made. Broadband excitation of a medium-sized organic chromophore further demonstrates the scalability of the method. In addition, the time-dependent flux densities unravel the mechanistic details of the simulated charge migration process at a glance. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

PGOPHER: A program for simulating rotational, vibrational and electronic spectra

NASA Astrophysics Data System (ADS)

Western, Colin M.

2017-01-01

The PGOPHER program is a general purpose program for simulating and fitting molecular spectra, particularly the rotational structure. The current version can handle linear molecules, symmetric tops and asymmetric tops and many possible transitions, both allowed and forbidden, including multiphoton and Raman spectra in addition to the common electric dipole absorptions. Many different interactions can be included in the calculation, including those arising from electron and nuclear spin, and external electric and magnetic fields. Multiple states and interactions between them can also be accounted for, limited only by available memory. Fitting of experimental data can be to line positions (in many common formats), intensities or band contours and the parameters determined can be level populations as well as rotational constants. PGOPHER is provided with a powerful and flexible graphical user interface to simplify many of the tasks required in simulating, understanding and fitting molecular spectra, including Fortrat diagrams and energy level plots in addition to overlaying experimental and simulated spectra. The program is open source, and can be compiled with open source tools. This paper provides a formal description of the operation of version 9.1.

Finite element analyses of a linear-accelerator electron gun

DOE Office of Scientific and Technical Information (OSTI.GOV)

Iqbal, M., E-mail: muniqbal.chep@pu.edu.pk, E-mail: muniqbal@ihep.ac.cn; Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049; Wasy, A.

Thermo-structural analyses of the Beijing Electron-Positron Collider (BEPCII) linear-accelerator, electron gun, were performed for the gun operating with the cathode at 1000 °C. The gun was modeled in computer aided three-dimensional interactive application for finite element analyses through ANSYS workbench. This was followed by simulations using the SLAC electron beam trajectory program EGUN for beam optics analyses. The simulations were compared with experimental results of the assembly to verify its beam parameters under the same boundary conditions. Simulation and test results were found to be in good agreement and hence confirmed the design parameters under the defined operating temperature. The gunmore » is operating continuously since commissioning without any thermal induced failures for the BEPCII linear accelerator.« less

42 CFR 414.92 - Electronic Prescribing Incentive Program.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 42 Public Health 3 2011-10-01 2011-10-01 false Electronic Prescribing Incentive Program. 414.92... Other Practitioners § 414.92 Electronic Prescribing Incentive Program. Link to an amendment published at... fee schedule which are furnished by an eligible professional. Electronic Prescribing Incentive Program...

Developments in the CCP4 molecular-graphics project.

PubMed

Potterton, Liz; McNicholas, Stuart; Krissinel, Eugene; Gruber, Jan; Cowtan, Kevin; Emsley, Paul; Murshudov, Garib N; Cohen, Serge; Perrakis, Anastassis; Noble, Martin

2004-12-01

Progress towards structure determination that is both high-throughput and high-value is dependent on the development of integrated and automatic tools for electron-density map interpretation and for the analysis of the resulting atomic models. Advances in map-interpretation algorithms are extending the resolution regime in which fully automatic tools can work reliably, but at present human intervention is required to interpret poor regions of macromolecular electron density, particularly where crystallographic data is only available to modest resolution [for example, I/sigma(I) < 2.0 for minimum resolution 2.5 A]. In such cases, a set of manual and semi-manual model-building molecular-graphics tools is needed. At the same time, converting the knowledge encapsulated in a molecular structure into understanding is dependent upon visualization tools, which must be able to communicate that understanding to others by means of both static and dynamic representations. CCP4 mg is a program designed to meet these needs in a way that is closely integrated with the ongoing development of CCP4 as a program suite suitable for both low- and high-intervention computational structural biology. As well as providing a carefully designed user interface to advanced algorithms of model building and analysis, CCP4 mg is intended to present a graphical toolkit to developers of novel algorithms in these fields.

Policy and system strategies in promoting child health information systems, including the role of Medicaid, the state children's health insurance program, and public financing.

PubMed

MacTaggart, Patricia; Bagley, Bruce

2009-01-01

Government, through its unique roles as regulator, purchaser, provider, and facilitator, has an opportunity and an obligation to play a major role in accelerating the implementation of electronic health record systems and electronic health information exchange. Providers, who are expected to deliver appropriate care at designated locations at an appropriate cost, are dependent on health information technology for efficient effective health care. As state and federal governments move forward with health care purchasing reforms, they must take the opportunity to leverage policy and structure and to align incentives that enhance the potential for provider engagement in electronic health record adoption.

[Validation of the structure and resources of nosocomial infection control team in hospitals ascribed to VINCat program in Catalonia, Spain].

PubMed

Limón, Enrique; Pujol, Miquel; Gudiol, Francesc

2014-07-01

The main objective of this study was to validate the structure of the infection control team (ICT) in the hospitals adhered to VINCat program and secondary objective was to establish the consistency of resources of each center with the requirements established by the program. Qualitative research consisting of an ethnographic study using participant observation during the years 2008-2010. The centers were stratified in three groups by complexity and beds. The instrument was a semistructured interview to members of the ICT. The transcription of the interview was sent to informants for validation. In November 2010 a questionnaire regarding human resources and number hours dedicated to the ICT was sent. During 2008-2010, 65 centers had been adhered to VINCat program. In 2010, the ICT of Group I hospitals had a mean of two physician, one in full-time and one nurse for every 230 beds. In Group II, one physician part-time and one nurse per 180 beds and in Group III a physician and a nurse for every 98 beds, both part-time. In 2010, all hospitals had a structured ICT, an operative infection committee, and a hospital member representing the center at the program as well as enough electronic resources. The hospitals participating in the program have now VINCat an adequate surveillance structure and meet the minimum technical and human resources required to provide high-quality data. However human resources are not guaranteed. Copyright © 2014. Published by Elsevier Espana.

Multibit Polycristalline Silicon-Oxide-Silicon Nitride-Oxide-Silicon Memory Cells with High Density Designed Utilizing a Separated Control Gate

NASA Astrophysics Data System (ADS)

Rok Kim, Kyeong; You, Joo Hyung; Dal Kwack, Kae; Kim, Tae Whan

2010-10-01

Unique multibit NAND polycrystalline silicon-oxide-silicon nitride-oxide-silicon (SONOS) memory cells utilizing a separated control gate (SCG) were designed to increase memory density. The proposed NAND SONOS memory device based on a SCG structure was operated as two bits, resulting in an increase in the storage density of the NVM devices in comparison with conventional single-bit memories. The electrical properties of the SONOS memory cells with a SCG were investigated to clarify the charging effects in the SONOS memory cells. When the program voltage was supplied to each gate of the NAND SONOS flash memory cells, the electrons were trapped in the nitride region of the oxide-nitride-oxide layer under the gate to supply the program voltage. The electrons were accumulated without affecting the other gate during the programming operation, indicating the absence of cross-talk between two trap charge regions. It is expected that the inference effect will be suppressed by the lower program voltage than the program voltage of the conventional NAND flash memory. The simulation results indicate that the proposed unique NAND SONOS memory cells with a SCG can be used to increase memory density.

A knowledge-based system design/information tool for aircraft flight control systems

NASA Technical Reports Server (NTRS)

Mackall, Dale A.; Allen, James G.

1991-01-01

Research aircraft have become increasingly dependent on advanced electronic control systems to accomplish program goals. These aircraft are integrating multiple disciplines to improve performance and satisfy research objective. This integration is being accomplished through electronic control systems. Systems design methods and information management have become essential to program success. The primary objective of the system design/information tool for aircraft flight control is to help transfer flight control system design knowledge to the flight test community. By providing all of the design information and covering multiple disciplines in a structured, graphical manner, flight control systems can more easily be understood by the test engineers. This will provide the engineers with the information needed to thoroughly ground test the system and thereby reduce the likelihood of serious design errors surfacing in flight. The secondary object is to apply structured design techniques to all of the design domains. By using the techniques in the top level system design down through the detailed hardware and software designs, it is hoped that fewer design anomalies will result. The flight test experiences are reviewed of three highly complex, integrated aircraft programs: the X-29 forward swept wing; the advanced fighter technology integration (AFTI) F-16; and the highly maneuverable aircraft technology (HiMAT) program. Significant operating technologies, and the design errors which cause them, is examined to help identify what functions a system design/informatin tool should provide to assist designers in avoiding errors.

Unusual Structure and Magnetism in MnO Nanoclusters

NASA Astrophysics Data System (ADS)

Ganguly, Shreemoyee; Kabir, Mukul; Sanyal, Biplab; Mookerjee, Abhijit

2011-03-01

We report an unusual structural and magnetic evolution in stoichiometric MnO nanoclusters by an extensive and unbiased search through the potential energy surface within density functional theory. The (MnO)n nanoclusters adopt two-dimensional structures in size ranges in which Mnn nanoclusters are three-dimensional and regardless of the size of the nanocluster, the magnetic coupling is found to be antiferromagnetic, and is strikingly different from Mn-based molecular magnets. Both of these features are explained through the inherent electronic structures of the nanoclusters. We gratefully acknowledge financial support from Swedish Research Links program funded by VR/SIDA and Carl Tryggers Foundation, Sweden.

New crystal structures in hexagonal CuInS2 nanocrystals

NASA Astrophysics Data System (ADS)

Shen, Xiao; Hernández-Pagan, Emil A.; Zhou, Wu; Puzyrev, Yevgeniy S.; Idrobo, Juan C.; MacDonald, Janet E.; Pennycook, Stephen J.; Pantelides, Sokrates T.

2013-03-01

CuInS2 is one of the best candidate materials for solar energy harvesting. Its nanocrystals with a hexagonal lattice structure that is different from the bulk chalcopyrite phase have been synthesized by many groups. The structure of these CuInS2 nanocrystals has been previously identified as the wurtzite structure in which the copper and indium atoms randomly occupy the cation sites. Using first-principles total energy and electronic structure calculations based on density functional theory, UV-vis absorption spectroscopy, X-ray diffraction, and atomic resolution Z-contrast images obtained in an aberration-corrected scanning transmission electron microscope, we show that CuInS2 nanocrystals do not form random wurtzite structure. Instead, the CuInS2 nanocrystals consist of several wurtzite- related crystal structures with ordered cation sublattices, some of which are reported for the first time here. This work is supported by the NSF TN-SCORE (JEM), by NSF (WZ), by ORNL's Shared Research Equipment User Program (JCI) sponsored by DOE BES, by DOE BES Materials Sciences and Engineering Division (SJP, STP), and used resources of the National Energy Research Scientific Computing Center, supported by the DOE Office of Science under Contract No. DE-AC02-05CH11231.

Linear Scaling Density Functional Calculations with Gaussian Orbitals

NASA Technical Reports Server (NTRS)

Scuseria, Gustavo E.

1999-01-01

Recent advances in linear scaling algorithms that circumvent the computational bottlenecks of large-scale electronic structure simulations make it possible to carry out density functional calculations with Gaussian orbitals on molecules containing more than 1000 atoms and 15000 basis functions using current workstations and personal computers. This paper discusses the recent theoretical developments that have led to these advances and demonstrates in a series of benchmark calculations the present capabilities of state-of-the-art computational quantum chemistry programs for the prediction of molecular structure and properties.

Structural Stability and Electronic Properties of Na2C6O6 for a Rechargeable Sodium-ion Battery

NASA Astrophysics Data System (ADS)

Yamashita, Tomoki; Fujii, Akihiro; Momida, Hiroyoshi; Oguchi, Tamio

2014-03-01

Sodium-ion batteries have been explored as a promising alternative to lithium-ion batteries owing to a significant advantage of a natural abundance of sodium. Recently, it has been reported that disodium rhodizonate, Na2C6O6, exhibit good electrochemical properties and cycle performance as a minor-metal free organic cathode for sodium-ion batteries. However, its crystal structures during discharge/charge cycle still remain unclear. In this work, we theoretically propose feasible crystal structures of Na2+xC6O6 using first principles calculations. A structural phase transition has been found: Na4C6O6 has a different C6O6 packing arrangement from Na2C6O6. Electronic structures of Na2+xC6O6 during discharge/charge cycle are also discussed. Our predictions could be the key to understanding the discharge/charge process of Na2C6O6. Supported by MEXT program ``Elements Strategy Initiative to Form Core Rersearch Center'' (since 2012), MEXT; Ministry of Education Culture, Sports, Science and Technology, Japan.

Medicare and Medicaid programs; modifications to the Medicare and Medicaid Electronic Health Record (EHR) Incentive Program for 2014 and other changes to EHR Incentive Program; and health information technology: revision to the certified EHR technology definition and EHR certification changes related to standards. Final rule.

PubMed

2014-09-04

This final rule changes the meaningful use stage timeline and the definition of certified electronic health record technology (CEHRT) to allow options in the use of CEHRT for the EHR reporting period in 2014. It also sets the requirements for reporting on meaningful use objectives and measures as well as clinical quality measure (CQM) reporting in 2014 for providers who use one of the CEHRT options finalized in this rule for their EHR reporting period in 2014. In addition, it finalizes revisions to the Medicare and Medicaid EHR Incentive Programs to adopt an alternate measure for the Stage 2 meaningful use objective for hospitals to provide structured electronic laboratory results to ambulatory providers; to correct the regulation text for the measures associated with the objective for hospitals to provide patients the ability to view online, download, and transmit information about a hospital admission; and to set a case number threshold exemption for CQM reporting applicable for eligible hospitals and critical access hospitals (CAHs) beginning with FY 2013. Finally, this rule finalizes the provisionally adopted replacement of the Data Element Catalog (DEC) and the Quality Reporting Document Architecture (QRDA) Category III standards with updated versions of these standards.

Molecular Line Lists for Scandium and Titanium Hydride Using the DUO Program

NASA Astrophysics Data System (ADS)

Lodi, Lorenzo; Yurchenko, Sergei N.; Tennyson, Jonathan

2015-06-01

Transition-metal-containing (TMC) molecules often have very complex electronic spectra because of their large number of low-lying, interacting electronic states, of the large multi-reference character of the electronic states and of the large magnitude of spin-orbit and relativistic effects. As a result, fully ab initio calculations of line positions and intensities of TMC molecules have an accuracy which is considerably worse than the one usually achievable for molecules made up by main-group atoms only. In this presentation we report on new theoretical line lists for scandium hydride ScH and titanium hydride TiH. Scandium and titanium are the lightest transition metal atoms and by virtue of their small number of valence electrons are amenable to high-level electronic-structure treatments and serve as ideal benchmark systems. We report for both systems energy curves, dipole curves and various coupling curves (including spin-orbit) characterising their electronic spectra up to about 20 000 cm-1. Curves were obtained using Internally-Contracted Multi Reference Configuration Interaction (IC-MRCI) as implemented in the quantum chemistry package MOLPRO. The curves where used for the solution of the coupled-surface ro-vibronic problem using the in-house program DUO. DUO is a newly-developed, general program for the spectroscopy of diatomic molecules and its main functionality will be described. The resulting line lists for ScH and TiH are made available as part of the Exomol project. L. Lodi, S. N. Yurchenko and J. Tennyson, Mol. Phys. (Handy special issue) in press. S. N. Yurchenko, L. Lodi, J. Tennyson and A. V. Stolyarov, Computer Phys. Comms., to be submitted.

42 CFR 414.92 - Electronic Prescribing Incentive Program.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 42 Public Health 3 2012-10-01 2012-10-01 false Electronic Prescribing Incentive Program. 414.92... Physicians and Other Practitioners § 414.92 Electronic Prescribing Incentive Program. (a) Basis and scope... section, unless otherwise indicated— Certified electronic health record technology means an electronic...

42 CFR 414.92 - Electronic Prescribing Incentive Program.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 42 Public Health 3 2014-10-01 2014-10-01 false Electronic Prescribing Incentive Program. 414.92... Physicians and Other Practitioners § 414.92 Electronic Prescribing Incentive Program. (a) Basis and scope... section, unless otherwise indicated— Certified electronic health record technology means an electronic...

42 CFR 414.92 - Electronic Prescribing Incentive Program.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 42 Public Health 3 2013-10-01 2013-10-01 false Electronic Prescribing Incentive Program. 414.92... Physicians and Other Practitioners § 414.92 Electronic Prescribing Incentive Program. (a) Basis and scope... section, unless otherwise indicated— Certified electronic health record technology means an electronic...

Scanning tunnelling microscope for boron surface studies

NASA Astrophysics Data System (ADS)

Trenary, Michael

1990-10-01

The equipment purchased is to be used in an experimental study of the relationship between atomic structure and chemical reactivity for boron and carbon surfaces. This research is currently being supported by grant AFOSR-88-0111. A renewal proposal is currently pending with AFOSR to continue these studies. Carbon and boron are exceptionally stable, covalently bonded solids with highly unique crystal structures. The specific reactions to be studied are loosely related to the problems of oxidation and oxidation inhibition of carbon/carbon composites. The main experimental instrument to be used is a scanning tunneling microscope (STM) purchased under grant number AFSOR-89-0146. Other techniques to be used include Auger electron spectroscopy, X-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), low energy electron diffraction (LEED), temperature programmed desorption (TPD) and scanning tunneling microscopy (STM).

Low-Altitude Satellite Measurements of Pulsating Auroral Electrons

NASA Technical Reports Server (NTRS)

Samara, M.; Michell, R. G.; Redmon, R. J.

2015-01-01

We present observations from the Defense Meteorological Satellite Program and Reimei satellites, where common-volume high-resolution ground-based auroral imaging data are available. These satellite overpasses of ground-based all-sky imagers reveal the specific features of the electron populations responsible for different types of pulsating aurora modulations. The energies causing the pulsating aurora mostly range from 3 keV to 20 keV but can at times extend up to 30 keV. The secondary, low-energy electrons (<1 keV) are diminished from the precipitating distribution when there are strong temporal variations in auroral intensity. There are often persistent spatial structures present inside regions of pulsating aurora, and in these regions there are secondary electrons in the precipitating populations. The reduction of secondary electrons is consistent with the strongly temporally varying pulsating aurora being associated with field-aligned currents and hence parallel potential drops of up to 1 kV.

Electronics Shielding and Reliability Design Tools

NASA Technical Reports Server (NTRS)

Wilson, John W.; ONeill, P. M.; Zang, Thomas A., Jr.; Pandolf, John E.; Koontz, Steven L.; Boeder, P.; Reddell, B.; Pankop, C.

2006-01-01

It is well known that electronics placement in large-scale human-rated systems provides opportunity to optimize electronics shielding through materials choice and geometric arrangement. For example, several hundred single event upsets (SEUs) occur within the Shuttle avionic computers during a typical mission. An order of magnitude larger SEU rate would occur without careful placement in the Shuttle design. These results used basic physics models (linear energy transfer (LET), track structure, Auger recombination) combined with limited SEU cross section measurements allowing accurate evaluation of target fragment contributions to Shuttle avionics memory upsets. Electronics shielding design on human-rated systems provides opportunity to minimize radiation impact on critical and non-critical electronic systems. Implementation of shielding design tools requires adequate methods for evaluation of design layouts, guiding qualification testing, and an adequate follow-up on final design evaluation including results from a systems/device testing program tailored to meet design requirements.

Measurements of a Newly Designed BPM for the Tevatron Electron Lens 2

NASA Astrophysics Data System (ADS)

Scarpine, V. E.; Kamerdzhiev, V.; Fellenz, B.; Olson, M.; Kuznetsov, G.; Kamerdzhiev, V.; Shiltsev, V. D.; Zhang, X. L.

2006-11-01

Fermilab has developed a second electron lens (TEL-2) for beam-beam compensation in the Tevatron as part of its Run II upgrade program. Operation of the beam position monitors (BPMs) in the first electron lens (TEL-1) showed a systematic transverse position difference between short proton bunches (2 ns sigma) and long electron pulses (˜1 us) of up to ˜1.5 mm. This difference was attributed to frequency dependence in the BPM system. The TEL-2 BPMs utilize a new, compact four-plate design with grounding strips between plates to minimize crosstalk. In-situ measurements of these new BPMs are made using a stretched wire pulsed with both proton and electron beam formats. In addition, longitudinal impedance measurements of the TEL-2 are presented. Signal processing algorithm studies indicate that the frequency-dependent transverse position offset may be reduced to ˜0.1 mm for the beam structures of interest.

Structural and functional characterization of phosphomimetic mutants of cytochrome c at threonine 28 and serine 47.

PubMed

Guerra-Castellano, Alejandra; Díaz-Moreno, Irene; Velázquez-Campoy, Adrián; De la Rosa, Miguel A; Díaz-Quintana, Antonio

2016-04-01

Protein function is frequently modulated by post-translational modifications of specific residues. Cytochrome c, in particular, is phosphorylated in vivo at threonine 28 and serine 47. However, the effect of such modifications on the physiological functions of cytochrome c - namely, the transfer of electrons in the respiratory electron transport chain and the triggering of programmed cell death - is still unknown. Here we replace each of these two residues by aspartate, in order to mimic phosphorylation, and report the structural and functional changes in the resulting cytochrome c variants. We find that the T28D mutant causes a 30-mV decrease on the midpoint redox potential and lowers the affinity for the distal site of Arabidopsis thaliana cytochrome c1 in complex III. Both the T28D and S47D variants display a higher efficiency as electron donors for the cytochrome c oxidase activity of complex IV. In both protein mutants, the peroxidase activity is significantly higher, which is related to the ability of cytochrome c to leave the mitochondria and reach the cytoplasm. We also find that both mutations at serine 47 (S47D and S47A) impair the ability of cytoplasmic cytochrome c to activate the caspases cascade, which is essential for triggering programmed cell death. Copyright © 2016 Elsevier B.V. All rights reserved.

Can your software engineer program your PLC?

NASA Astrophysics Data System (ADS)

Borrowman, Alastair J.; Taylor, Philip

2016-07-01

The use of Programmable Logic Controllers (PLCs) in the control of large physics experiments is ubiquitous1, 2, 3. The programming of these controllers is normally the domain of engineers with a background in electronics, this paper introduces PLC program development from the software engineer's perspective. PLC programs provide the link between control software running on PC architecture systems and physical hardware controlled and monitored by digital and analog signals. The higher-level software running on the PC is typically responsible for accepting operator input and from this deciding when and how hardware connected to the PLC is controlled. The PLC accepts demands from the PC, considers the current state of its connected hardware and if correct to do so (based upon interlocks or other constraints) adjusts its hardware output signals appropriately for the PC's demands. A published ICD (Interface Control Document) defines the PLC memory locations available to be written and read by the PC to control and monitor the hardware. Historically the method of programming PLCs has been ladder diagrams that closely resemble circuit diagrams, however, PLC manufacturers nowadays also provide, and promote, the use of higher-level programming languages4. Based on techniques used in the development of high-level PC software to control PLCs for multiple telescopes, this paper examines the development of PLC programs to operate the hardware of a medical cyclotron beamline controlled from a PC using the Experimental Physics and Industrial Control System (EPICS), which is also widely used in telescope control5, 6, 7. The PLC used is the new generation Siemens S7-1200 programmed using Siemens Pascal based Structured Control Language (SCL), which is their implementation of Structured Text (ST). The approach described is that from a software engineer's perspective, utilising Siemens Totally Integrated Automation (TIA) Portal integrated development environment (IDE) to create modular PLC programs based upon reusable functions capable of being unit tested without the PLC connected to hardware. Emphasis has been placed on designing an interface between EPICS and SCL that enforces correct operation of hardware through stringent separation of PC accessible PLC memory and hardware I/O addresses used only by the PLC. The paper also introduces the method used to automate the creation, from the same source document, the PLC memory structure (tag) definitions (defining memory used to access hardware I/O and that accessed by the PC) and creation of the PC program data structures (EPICS database records) used to access the permitted PLC addresses. From direct experience this paper demonstrates the advantages of PLC program development being shared between electronic and software engineers, to enable use of the most appropriate processes from both the perspective of the hardware and the higher-level software used to control it.

Development of theoretical approach for describing electronic properties of hetero-interface systems under applied bias voltage.

PubMed

Iida, Kenji; Noda, Masashi; Nobusada, Katsuyuki

2017-02-28

We have developed a theoretical approach for describing the electronic properties of hetero-interface systems under an applied electrode bias. The finite-temperature density functional theory is employed for controlling the chemical potential in their interfacial region, and thereby the electronic charge of the system is obtained. The electric field generated by the electronic charging is described as a saw-tooth-like electrostatic potential. Because of the continuum approximation of dielectrics sandwiched between electrodes, we treat dielectrics with thicknesses in a wide range from a few nanometers to more than several meters. Furthermore, the approach is implemented in our original computational program named grid-based coupled electron and electromagnetic field dynamics (GCEED), facilitating its application to nanostructures. Thus, the approach is capable of comprehensively revealing electronic structure changes in hetero-interface systems with an applied bias that are practically useful for experimental studies. We calculate the electronic structure of a SiO 2 -graphene-boron nitride (BN) system in which an electrode bias is applied between the graphene layer and an electrode attached on the SiO 2 film. The electronic energy barrier between graphene and BN is varied with an applied bias, and the energy variation depends on the thickness of the BN film. This is because the density of states of graphene is so low that the graphene layer cannot fully screen the electric field generated by the electrodes. We have demonstrated that the electronic properties of hetero-interface systems are well controlled by the combination of the electronic charging and the generated electric field.

Photon structure studied at an electron ion collider

DOE PAGES

Chu, X.; Aschenauer, E. C.; Lee, J. H.; ...

2017-10-30

We report that a future electron ion collider (EIC) will be able to provide collisions of polarized electrons with protons and heavy ions over a wide range of center-of-mass energies (20 GeV to 140 GeV) at an instantaneous luminosity of 10 33 - 10 34cm -2s -1. One of its promising physics programs is the study of the partonic structure of quasireal photons. Measuring dijets in quasireal photoproduction events, one can effectively access the underlying parton dynamics of the photons. In this paper, we discuss the feasibility of tagging resolved photon processes and measuring the dijet cross section as a function of jet transverse momentum in the range of 0.01 < xmore » $$rec\\atop{γ}$$ < 1 at an EIC. Finally, it will be shown that both unpolarized and polarized parton distributions in the photon can be extracted, and that the flavor of the parton can be tagged at an EIC.« less

Development program on a cold cathode electron gun

NASA Technical Reports Server (NTRS)

Spindt, C. A.

1979-01-01

A prototype electron gun with a field emitter cathode capable of producing 95 mA in a 1/4 mm diameter beam at 12 kV was produced. Achievement of this goal required supporting studies in cathode fabrication, cathode performance, gun design, cathode mounting and gun fabrication. A series of empirical investigations advanced fabrication technology: More stable emitters were produced and multiple cone failure caused by chain reaction discharges were reduced. The cathode is capable of producing well over 95 mA, but a substantial collector development effort was required to demonstrate emission levels in the 100 mA region. Space charge problems made these levels difficult to achieve. Recommendations are made for future process and materials investigation. Electron gun designs were modeled and tested. A pair of two-electrode gun structures were fabricated and tested; one gun was delivered to NASA. Cathodes were pretested up to 100 mA at SRI and delivered to NASA for test in the gun structure.

Facile synthesis of hollow Co3O4 microspheres and its use as a rapid responsive CL sensor of combustible gases.

PubMed

Teng, Fei; Yao, Wenqing; Zheng, Youfei; Ma, Yutao; Xu, Tongguang; Gao, Guizhi; Liang, Shuhui; Teng, Yang; Zhu, Yongfa

2008-09-15

The hollow Co(3)O(4) microspheres (HCMs) were prepared by the carbonaceous templates, which did not need the surface pretreatment. The chemiluminescence (CL) and catalytic properties for CO oxidation over these hollow samples were evaluated. The samples were characterized by scanning electron microscopy (SEM), energy disperse spectra (EDS), transmission electron microscopy (TEM), selected area electron diffraction (ED), X-ray diffraction (XRD), temperature-programmed desorption (TPD) and N(2) adsorption. The influences of filter' band length, flow rate of gas, test temperature, and particle structure on CL intensities were mainly investigated. It was found that compared with the solid Co(3)O(4) particles (SCPs), HCMs had a stronger CL intensity, which was ascribed to its hollow structure; and that CL properties of the catalysts were well correlated with their reaction activities. Moreover, HCMs were used to fabricate a highly sensitive gas detector, which is a rapid and effective method for the selection of catalysts or the detection of environmental deleterious gases.

Three-dimensional structural dynamics of DNA origami Bennett linkages using individual-particle electron tomography

DOE PAGES

Lei, Dongsheng; Marras, Alexander E.; Liu, Jianfang; ...

2018-02-09

Scaffolded DNA origami has proven to be a powerful and efficient technique to fabricate functional nanomachines by programming the folding of a single-stranded DNA template strand into three-dimensional (3D) nanostructures, designed to be precisely motion-controlled. Although two-dimensional (2D) imaging of DNA nanomachines using transmission electron microscopy and atomic force microscopy suggested these nanomachines are dynamic in 3D, geometric analysis based on 2D imaging was insufficient to uncover the exact motion in 3D. In this paper, we use the individual-particle electron tomography method and reconstruct 129 density maps from 129 individual DNA origami Bennett linkage mechanisms at ~6-14 nm resolution. The statisticalmore » analyses of these conformations lead to understanding the 3D structural dynamics of Bennett linkage mechanisms. Moreover, our effort provides experimental verification of a theoretical kinematics model of DNA origami, which can be used as feedback to improve the design and control of motion via optimized DNA sequences and routing.« less

Three-dimensional structural dynamics of DNA origami Bennett linkages using individual-particle electron tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lei, Dongsheng; Marras, Alexander E.; Liu, Jianfang

Scaffolded DNA origami has proven to be a powerful and efficient technique to fabricate functional nanomachines by programming the folding of a single-stranded DNA template strand into three-dimensional (3D) nanostructures, designed to be precisely motion-controlled. Although two-dimensional (2D) imaging of DNA nanomachines using transmission electron microscopy and atomic force microscopy suggested these nanomachines are dynamic in 3D, geometric analysis based on 2D imaging was insufficient to uncover the exact motion in 3D. In this paper, we use the individual-particle electron tomography method and reconstruct 129 density maps from 129 individual DNA origami Bennett linkage mechanisms at ~6-14 nm resolution. The statisticalmore » analyses of these conformations lead to understanding the 3D structural dynamics of Bennett linkage mechanisms. Moreover, our effort provides experimental verification of a theoretical kinematics model of DNA origami, which can be used as feedback to improve the design and control of motion via optimized DNA sequences and routing.« less

In situ fabrication of quasi-free-standing epitaxial graphene nanoflakes on gold.

PubMed

Leicht, Philipp; Zielke, Lukas; Bouvron, Samuel; Moroni, Riko; Voloshina, Elena; Hammerschmidt, Lukas; Dedkov, Yuriy S; Fonin, Mikhail

2014-04-22

Addressing the multitude of electronic phenomena theoretically predicted for confined graphene structures requires appropriate in situ fabrication procedures yielding graphene nanoflakes (GNFs) with well-defined geometries and accessible electronic properties. Here, we present a simple strategy to fabricate quasi-free-standing GNFs of variable sizes, performing temperature programmed growth of graphene flakes on the Ir(111) surface and subsequent intercalation of gold. Using scanning tunneling microscopy (STM), we show that epitaxial GNFs on a perfectly ordered Au(111) surface are formed while maintaining an unreconstructed, singly hydrogen-terminated edge structure, as confirmed by the accompanying density functional theory (DFT) calculations. Using tip-induced lateral displacement of GNFs, we demonstrate that GNFs on Au(111) are to a large extent decoupled from the Au(111) substrate. The direct accessibility of the electronic states of a single GNF is demonstrated upon analysis of the quasiparticle interference patterns obtained by low-temperature STM. These findings open up an interesting playground for diverse investigations of graphene nanostructures with possible implications for device fabrication.

Structural and mechanical properties of welded joints of reduced activation martensitic steels

NASA Astrophysics Data System (ADS)

Filacchioni, G.; Montanari, R.; Tata, M. E.; Pilloni, L.

2002-12-01

Gas tungsten arc welding and electron beam welding methods were used to realise welding pools on plates of reduced activation martensitic steels. Structural and mechanical features of these simulated joints have been investigated in as-welded and post-welding heat-treated conditions. The research allowed to assess how each welding technique affects the original mechanical properties of materials and to find suitable post-welding heat treatments. This paper reports results from experimental activities on BATMAN II and F82H mod. steels carried out in the frame of the European Blanket Project - Structural Materials Program.

Intranet and village community: optimization of public service based on electronic government at the local level

NASA Astrophysics Data System (ADS)

Pradana, G. W.; Fanida, E. H.; Niswah, F.

2018-01-01

The demand for good governance is directed towards the realization of efficiency, effectiveness, and clean government. The move is demonstrated through national and regional levels to develop and implement electronic government concepts. Through the development of electronic government is done structuring management systems and work processes in the government environment by optimizing the utilization of information technology. One of the real forms of electronic government (e-Gov) implementation at the local level is the Intranet Sub-District program in Sukodono Sub-District, Sidoarjo. Intranet Sub-District is an innovation whose purpose is to realize the availability of information on the utilization of management, distribution, and storage of official scripts, and also the optimal delivery of information and communication in the implementation of guidance and supervision of local administration. The type of this paper is descriptive with a qualitative approach and focus on the implementation of the Intranet District Program in Sukodono District, Sidoarjo. The findings of the study are the limited number of human resources who have mastered ICT, the uneven network, the adequacy of institutional needs and the existence of budget support from the authorized institution and the information system has not accommodated all the service needs.

Mechanisms of interfacial reactivity in near surface and extreme environments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Ying; Balaska, Eric; Weare, John

The local water structure surrounding ions in aqueous solutions greatly affects their chemical properties such as reaction rates, ion association, and proton and electron transport. These properties result in the behavior of ions in natural aqueous environments. For example ore transport is facilitated by chloride ion pair formation and the reaction of ions in an interface is strongly dependent on the dehydration of the ion hydration shell. We are developing the use of high-­resolution XAFS observations and 1st principles based MD-­XAFS analysis (spectra simulated using 1st principle methods with no adjustable parameters, AIMD) to interpret the solution properties of stronglymore » interacting aqueous solutes under arbitrary pressure and temperature conditions. In the 1st principle MD-­XAFS method density functional theory (DFT) based MD simulations(Car and Parrinello, 1985) are used to generate a large ensemble of structural snap shots of the hydration region. These are then used to generate scattering intensities. I emphasize three points about this novel approach to analyzing XAFS data. 1st: As illustrated in Figure 1, the level of agreement between the calculated and observed intensities is considerably higher than has been obtained by any XAFS analysis to date (note 2nd shell region, R> 2 Å). 2nd: This result was obtained from a parameter free simulation with no fitting of the interaction potentials to any data. This supports the use of these methods for more difficult environments and more complex solutes (polyions). 3rd: New information about the shell structure (Figure 1) is now available because of this more detailed agreement. We note also that both multiple scattering and second shell features are well represented in the analysis. As far as we know this is the 1st analysis of second shell structure and multiple scattering. Excellent agreement has been obtained for most of the third row metal ions: Ca 2+, Zn 2+, Cu 2+, Ni 2+, Co 2+, Mn 2+, Fe 3+, Cr 3+. Calculations on these systems are demanding because of their open electronic shells, and high ionic charge. Principal Investigator: Professor John Weare (University of California, San Diego) The prediction of the interactions of geochemical fluids with minerals, nanoparticles, and colloids under extreme near surface conditions of temperature (T) and pressure (P) is a grand challenge research need in geosciences (U.S. DOE 2007, Basic Research Needs for Geosciences: Facilitating the 21st Energy Systems.). To evaluate the impact of these processes on energy production and management strategies it is necessary to have a high level of understanding of the interaction between complex natural fluids and mineral formations. This program emphasizes 1st principle parameter free simulations of complex chemical processes in solutions, in the mineral phase, and in the interfaces between these phases The development of new computational tools (with emphasis on oxide materials and reaction dynamics) tailored to treat wide range of conditions and time scales experienced in such geochemical applications is has been developed. Because of the sensitivity of the interaction in these systems to electronic structure and local bonding environments, and of the need to describe bond breaking/formation, our simulations are based on interactions calculated at the electronic structure level (ab-initio molecular dynamics, AIMD). The progress in the computational aspects of program may be summarized in terms of the following themes (objectives); Development of efficient parameter free dynamical simulation technology based on 1st principles force and energy calculations especially adapted for geochemical applications (e.g., mineral, interfaces and aqueous solutions) (continuing program); Calculation of the dynamics of water structure of in the surface-water interface of transition metal oxides and oxihydroxides; and Development of improved (beyond DFT+GGA) electronic structure calculations for minerals and the interface region that more accurately calculate electron correlation, spin density, and localization. The focus of the program is also on the iron oxide and oxihydroxide minerals and Fe 2+(aq)/Fe 3+(cr) oxidation in the mineral solution interface region. These methods included the development of model Hamilitonian methods that can be solved to near convergence for single site models (DMFT) and many-body perturbation methods (MP2, GW); Development of time decomposition methods to extend time scales of molecular dynamics (MD) simulations and support the use of high complexity electronic structure calculations (MP2, CCSD(T)) of forces for use in dynamical simulations where very high chemical accuracy is required (microsolvated reactions in absorbed surface layers); and The development of a new linear scaling finite element solver for eigenvalue problem that supports solution of quantum problems with unusual potential and boundary values. Application progress of the above new simulation technology to problems of geochemical interests includes; The prediction of metal oxide surface structure and the reduction/oxidation of Fe 3+(cr)/Fe 2+ (aq) in metal oxide (hematite, goethite)/solution interfaces. Result: water interacts strongly with the 001 Hematite surface; interaction of water with the 100 goethite is weak; The study of ion solvation and the composition of ion hydration shells under extreme conditions (focus on Fe 3+/2+, Al 3+ and Mg 2+ and their hydroxide speciation). Result: Ion association in water solutions can be calculated from 1st principle methods. Efficient sampling of the free energy requires more development; The continued development of new high resolution analysis of XAFS scattering of disordered systems (particularly Al, Mg) and of XANES calculations for aqueous ions. Result: EXAFS spectra can be calculated to high accuracy with DFT level dynamic simulations; The exploration of electron localization and electron transport in metal oxides (highly correlated materials). Result: Proper description of electron localization requires levels of calculation beyond DFT; and Localization of electrons in DFT type Hamiltonians was studied. Result: For very Dirac high exchange new solutions (New unphysical bifrucations) to the eigenvalue problem are found. The program was highly collaborative involving faculty and students in mathematics, physics and computer science departments as well as coworkers at the Pacific Northwest National Laboratories (PNNL). The students in this program had the opportunity to develop skills in the development of methods, the implementation of method on high performance parallel computers and the application of these methods to problem in geochemical science. Much of the software that was developed was incorporated in the NWchem software package maintained by PNNL.« less

Atomic-Scale Principles of Combustion Nanocatalysis

DTIC Science & Technology

2014-05-19

of Combustion Nanocatalysts: Structures, Electronic Characteristics and Catalytic Pathways MURI FINAL REPORT Reporting Period: June 1, 2008 to...properties of nanoscale materials to be employed for catalytic combustion of fuels and propellants. Furthermore the research program seeks to establish... catalytic cycle. Both the carbon– hydrogen bond activation and the subsequent desorption of the ethylene product molecule require cooperative action

Alfven Waves Underlying Ionospheric Destabilization: Ground-Based Observations

NASA Astrophysics Data System (ADS)

Hirsch, Michael

During geomagnetic storms, terawatts of power in the million mile-per-hour solar wind pierce the Earth's magnetosphere. Geomagnetic storms and substorms create transverse magnetic waves known as Alfven waves. In the auroral acceleration region, Alfven waves accelerate electrons up to one-tenth the speed of light via wave-particle interactions. These inertial Alfven wave (IAW) accelerated electrons are imbued with sub-100 meter structure perpendicular to geomagnetic field B. The IAW electric field parallel to B accelerates electrons up to about 10 keV along B. The IAW dispersion relation quantifies the precipitating electron striation observed with high-speed cameras as spatiotemporally dynamic fine structured aurora. A network of tightly synchronized tomographic auroral observatories using model based iterative reconstruction (MBIR) techniques were developed in this dissertation. The TRANSCAR electron penetration model creates a basis set of monoenergetic electron beam eigenprofiles of auroral volume emission rate for the given location and ionospheric conditions. Each eigenprofile consists of nearly 200 broadband line spectra modulated by atmospheric attenuation, bandstop filter and imager quantum efficiency. The L-BFGS-B minimization routine combined with sub-pixel registered electron multiplying CCD video stream at order 10 ms cadence yields estimates of electron differential number flux at the top of the ionosphere. Our automatic data curation algorithm reduces one terabyte/camera/day into accurate MBIR-processed estimates of IAW-driven electron precipitation microstructure. This computer vision structured auroral discrimination algorithm was developed using a multiscale dual-camera system observing a 175 km and 14 km swath of sky simultaneously. This collective behavior algorithm exploits the "swarm" behavior of aurora, detectable even as video SNR approaches zero. A modified version of the algorithm is applied to topside ionospheric radar at Mars and broadcast FM passive radar. The fusion of data from coherent radar backscatter and optical data at order 10 ms cadence confirms and further quantifies the relation of strong Langmuir turbulence and streaming plasma upflows in the ionosphere with the finest spatiotemporal auroral dynamics associated with IAW acceleration. The software programs developed in this dissertation solve the century-old problem of automatically discriminating finely structured aurora from other forms and pushes the observational wave-particle science frontiers forward.

A Systematic Review of Behavioral Interventions to Reduce Condomless Sex and Increase HIV Testing for Latino MSM.

PubMed

Pérez, Ashley; Santamaria, E Karina; Operario, Don

2017-12-15

Latino men who have sex with men (MSM) in the United States are disproportionately affected by HIV, and there have been calls to improve availability of culturally sensitive HIV prevention programs for this population. This article provides a systematic review of intervention programs to reduce condomless sex and/or increase HIV testing among Latino MSM. We searched four electronic databases using a systematic review protocol, screened 1777 unique records, and identified ten interventions analyzing data from 2871 Latino MSM. Four studies reported reductions in condomless anal intercourse, and one reported reductions in number of sexual partners. All studies incorporated surface structure cultural features such as bilingual study recruitment, but the incorporation of deep structure cultural features, such as machismo and sexual silence, was lacking. There is a need for rigorously designed interventions that incorporate deep structure cultural features in order to reduce HIV among Latino MSM.

HgCdTe Surface and Defect Study Program.

DTIC Science & Technology

1986-03-01

different potential for Hg and Cd and hence be reflected in the electronic structure. The techniques of PES and ARPES available to our research group ...D-A166 795 HOME SURFCE ND DEFECT STUDY PROQRN(U) SATA / BARBRA RESEARCH CENTER GOLETA CALXF J A WILSON ET AL. USI FE MAR 86 SBRC-60411 ND93-63-C...0168 FO2/2 N L6 ILO 1.5 1. 11111 .6 .ICnrnp CHR HgCdTo SURFACE AND DEFECT STUDY PROGRAM J. A. Wilson and V. A. Cotton Santa Barbara Research Center

GPAW - massively parallel electronic structure calculations with Python-based software.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Enkovaara, J.; Romero, N.; Shende, S.

2011-01-01

Electronic structure calculations are a widely used tool in materials science and large consumer of supercomputing resources. Traditionally, the software packages for these kind of simulations have been implemented in compiled languages, where Fortran in its different versions has been the most popular choice. While dynamic, interpreted languages, such as Python, can increase the effciency of programmer, they cannot compete directly with the raw performance of compiled languages. However, by using an interpreted language together with a compiled language, it is possible to have most of the productivity enhancing features together with a good numerical performance. We have used thismore » approach in implementing an electronic structure simulation software GPAW using the combination of Python and C programming languages. While the chosen approach works well in standard workstations and Unix environments, massively parallel supercomputing systems can present some challenges in porting, debugging and profiling the software. In this paper we describe some details of the implementation and discuss the advantages and challenges of the combined Python/C approach. We show that despite the challenges it is possible to obtain good numerical performance and good parallel scalability with Python based software.« less

Waveguide detuning caused by transverse magnetic fields on a simulated in-line 6 MV linac.

PubMed

St Aubin, J; Steciw, S; Fallone, B G

2010-09-01

Due to the close proximity of the linear accelerator (linac) to the magnetic resonance (MR) imager in linac-MR systems, it will be subjected to magnet fringe fields larger than the Earth's magnetic field of 5 x 10(-5) T. Even with passive or active shielding designed to reduce these fields, some magnitude of the magnetic field is still expected to intersect the linac, causing electron deflection and beam loss. This beam loss, resulting from magnetic fields that cannot be eliminated with shielding, can cause a detuning of the waveguide due to excessive heating. The detuning, if significant, could lead to an even further decrease in output above what would be expected strictly from electron deflections caused by an external magnetic field. Thus an investigation of detuning was performed through various simulations. According to the Lorentz force, the electrons will be deflected away from their straight course to the target, depositing energy as they impact the linac copper waveguide. The deposited energy would lead to a heating and deformation of the copper structure resulting in resonant frequency changes. PARMELA was used to determine the mean energy and fraction of total beam lost in each linac cavity. The energy deposited into the copper waveguide from the beam losses caused by transverse magnetic fields was calculated using the Monte Carlo program DOSRZnrc. From the total energy deposited, the rise in temperature and ultimately the deformation of the structure was estimated. The deformed structure was modeled using the finite element method program COMSOL MULTIPHYSICS to determine the change in cavity resonant frequency. The largest changes in resonant frequency were found in the first two accelerating cavities for each field strength investigated. This was caused by a high electron fluence impacting the waveguide inner structures coupled with their low kinetic energies. At each field strength investigated, the total change in accelerator frequency was less than a manufacturing tolerance of 10 kHz and is thus not expected to have a noticeable effect on accelerator performance. The amount of beam loss caused by magnetic fringe fields for a linac in a linac-MR system depends on the effectiveness of its magnetic shielding. Despite the best efforts to shield the linac from the magnetic fringe fields, some persistent magnetic field is expected which would result in electron beam loss. This investigation showed that the detuning of the waveguide caused by additional electron beam loss in persistent magnetic fields is not a concern.

Semiautomated model building for RNA crystallography using a directed rotameric approach.

PubMed

Keating, Kevin S; Pyle, Anna Marie

2010-05-04

Structured RNA molecules play essential roles in a variety of cellular processes; however, crystallographic studies of such RNA molecules present a large number of challenges. One notable complication arises from the low resolutions typical of RNA crystallography, which results in electron density maps that are imprecise and difficult to interpret. This problem is exacerbated by the lack of computational tools for RNA modeling, as many of the techniques commonly used in protein crystallography have no equivalents for RNA structure. This leads to difficulty and errors in the model building process, particularly in modeling of the RNA backbone, which is highly error prone due to the large number of variable torsion angles per nucleotide. To address this, we have developed a method for accurately building the RNA backbone into maps of intermediate or low resolution. This method is semiautomated, as it requires a crystallographer to first locate phosphates and bases in the electron density map. After this initial trace of the molecule, however, an accurate backbone structure can be built without further user intervention. To accomplish this, backbone conformers are first predicted using RNA pseudotorsions and the base-phosphate perpendicular distance. Detailed backbone coordinates are then calculated to conform both to the predicted conformer and to the previously located phosphates and bases. This technique is shown to produce accurate backbone structure even when starting from imprecise phosphate and base coordinates. A program implementing this methodology is currently available, and a plugin for the Coot model building program is under development.

Microgravity science and applications program tasks, 1991 revision

NASA Technical Reports Server (NTRS)

1992-01-01

Presented here is a compilation of the active research tasks for FY 1991 sponsored by the Microgravity Science and Applications Division of the NASA Office of Space Science and Applications. The purpose is to provide an overview of the program scope for managers and scientists in industry, university, and government communities. Included is an introductory description of the program, the strategy and overall goal, identification of the organizational structures and the people involved, and a description of each. The tasks are grouped into several categories: electronic materials; solidification of metals, alloys, and composites; fluids, interfaces, and transport; biotechnology; combustion science; glasses and ceramics; experimental technology, instrumentation, and facilities; and Physical and Chemistry Experiments (PACE). The tasks cover both the ground based and flight programs.

Molecular t-matrices for Low-Energy Electron Diffraction (TMOL v1.1)

NASA Astrophysics Data System (ADS)

Blanco-Rey, Maria; de Andres, Pedro; Held, Georg; King, David A.

2004-08-01

We describe a FORTRAN-90 program that computes scattering t-matrices for a molecule. These can be used in a Low-Energy Electron Diffraction program to solve the molecular structural problem very efficiently. The intramolecular multiple scattering is computed within a Dyson-like approach, using free space Green propagators in a basis of spherical waves. The advantage of this approach is related to exploiting the chemical identity of the molecule, and to the simplicity to translate and rotate these t-matrices without performing a new multiple-scattering calculation for each configuration. FORTRAN-90 routines for rotating the resulting t-matrices using Wigner matrices are also provided. Program summaryTitle of program: TMOL Catalogue number: ADUF Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADUF Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland. Computers: Alpha ev6-21264 (700 MHz) and Pentium-IV. Operating systems: Digital UNIX V5.0 and Linux (Red Hat 8.0). Programming language: FORTRAN-90/95 (Compaq True64 compiler, and Intel Fortran Compiler 7.0 for Linux). High-speed storage required for the test run: minimum 64 Mbytes, it can grow to more depending on the system considered. Disk storage required: None. No. of bits in a word: 64 and 32. No. of lines in distributed program, including test data etc.: 5404 No. of bytes in distributed program, including test data etc.: 59 856 Distribution format: tar.gz Nature of problem: We describe the FORTRAN-90 program TMOL (v1.1) for the computation of non-diagonal scattering t-matrices for molecules or any other poly-atomic sub-unit of surface structures. These matrices can be used in an standard Low-Energy Electron Diffraction program, such as LEED90 or CLEED. Method of solution: A general non-diagonal t-matrix is assumed for the atoms or more general scatterers forming the molecule. The molecular t-matrix is solved adding the possible intramolecular multiple scattering events using Green's propagator formalism. The resulting t-matrix is referred to the mass centre of the molecule and can be easily translated with these propagators and rotated applying Wigner matrices. Typical running time: Calculating the t-matrix for a single energy takes a few seconds. Time depends on the maximum angular momentum quantum number, lmax, and the number of scatterers in the molecule, N. Running time scales as lmax6 and N3. References: [1] S. Andersson, J.B. Pendry, J. Phys. C: Solid St. Phys. 13 (1980) 3547. [2] A. Gonis, W.H. Butler, Multiple Scattering in Solids, Springer-Verlag, Berlin/New York, 2000.

Palliative Care Scorecard.

PubMed

Kittelson, Sheri; Pierce, Read; Youngwerth, Jeanie

2017-05-01

In response to poor healthcare quality outcomes and rising costs, healthcare reform triple aim has increased requirements for providers to demonstrate value to payers, partners, and the public. Electronically automating measurement of the meaningful impact of palliative care (PC) programs on clinical, operational, and financial systems over time is imperative to the success of the field and the goal of development of this automated PC scorecard. The scorecard was organized into a format of quality measures identified by the Measuring What Matters (MWM) project that are defined as important to the team, automatically extracted from the electronic health record, valid, and can be impacted over time. The scorecard was initially created using University of Florida Health (UF) data, a new PC program, and successfully applied and implemented at University of Colorado Anschutz Medical Campus (CU), a second institution with a mature PC program. Clinical metrics are organized in the scorecard based on MWM and described in terms of the metric definition, rationale for selection, measure type (structure, process, or outcome), and whether this represents a direct or proxy measure. The process of constructing the scorecard helped identify areas within both systems for potential improvement in team structure, clinical processes, and outcomes. In addition, by automating data extraction, the scorecard decreases costs associated with manual data entry and extraction, freeing clinical staff to care for patients and increasing the value of PC delivered to patients.

NASA/CARES dual-use ceramic technology spinoff applications

NASA Technical Reports Server (NTRS)

Powers, Lynn M.; Janosik, Lesley A.; Gyekenyesi, John P.; Nemeth, Noel N.

1994-01-01

NASA has developed software that enables American industry to establish the reliability and life of ceramic structures in a wide variety of 21st Century applications. Designing ceramic components to survive at higher temperatures than the capability of most metals and in severe loading environments involves the disciplines of statistics and fracture mechanics. Successful application of advanced ceramics material properties and the use of a probabilistic brittle material design methodology. The NASA program, known as CARES (Ceramics Analysis and Reliability Evaluation of Structures), is a comprehensive general purpose design tool that predicts the probability of failure of a ceramic component as a function of its time in service. The latest version of this software, CARESALIFE, is coupled to several commercially available finite element analysis programs (ANSYS, MSC/NASTRAN, ABAQUS, COSMOS/N4, MARC), resulting in an advanced integrated design tool which is adapted to the computing environment of the user. The NASA-developed CARES software has been successfully used by industrial, government, and academic organizations to design and optimize ceramic components for many demanding applications. Industrial sectors impacted by this program include aerospace, automotive, electronic, medical, and energy applications. Dual-use applications include engine components, graphite and ceramic high temperature valves, TV picture tubes, ceramic bearings, electronic chips, glass building panels, infrared windows, radiant heater tubes, heat exchangers, and artificial hips, knee caps, and teeth.

Silicon Carbide Epitaxial Films Studied by Atomic Force Microscopy

NASA Technical Reports Server (NTRS)

1996-01-01

Silicon carbide (SiC) holds great potential as an electronic material because of its wide band gap energy, high breakdown electric field, thermal stability, and resistance to radiation damage. Possible aerospace applications of high-temperature, high-power, or high-radiation SiC electronic devices include sensors, control electronics, and power electronics that can operate at temperatures up to 600 C and beyond. Commercially available SiC devices now include blue light-emitting diodes (LED's) and high-voltage diodes for operation up to 350 C, with other devices under development. At present, morphological defects in epitaxially grown SiC films limit their use in device applications. Research geared toward reducing the number of structural inhomogeneities can benefit from an understanding of the type and nature of problems that cause defects. The Atomic Force Microscope (AFM) has proven to be a useful tool in characterizing defects present on the surface of SiC epitaxial films. The in-house High-Temperature Integrated Electronics and Sensors (HTIES) Program at the NASA Lewis Research Center not only extended the dopant concentration range achievable in epitaxial SiC films, but it reduced the concentration of some types of defects. Advanced structural characterization using the AFM was warranted to identify the type and structure of the remaining film defects and morphological inhomogeneities. The AFM can give quantitative information on surface topography down to molecular scales. Acquired, in part, in support of the Advanced High Temperature Engine Materials Technology Program (HITEMP), the AFM had been used previously to detect partial fiber debonding in composite material cross sections. Atomic force microscopy examination of epitaxial SiC film surfaces revealed molecular-scale details of some unwanted surface features. Growth pits propagating from defects in the substrate, and hillocks due, presumably, to existing screw dislocations in the substrates, were imaged. Away from local defects, step bunching was observed to yield step heights of hundreds of angstroms, with possible implications for the uniformity of dopants incorporated in SiC devices during fabrication. The quantitative topographic data from the AFM allow the relevant defect information to be extracted, such as the size and distribution of step bunching and the Burgers vector of screw dislocations. These atomic force microscopy results have furthered the understanding of the dynamic epitaxial SiC growth process. A model describing the observed hillock step bunching has been proposed. This cooperation between researchers involved in crystal growth, electronic device fabrication, and surface structural characterization is likely to continue as atomic force microscopy is used to improve SiC films for high-temperature electronic devices for NASA's advanced turbine engines and space power devices, as well as for future applications in the automotive industry.

42 CFR 423.159 - Electronic prescription drug program.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 42 Public Health 3 2012-10-01 2012-10-01 false Electronic prescription drug program. 423.159... SERVICES (CONTINUED) MEDICARE PROGRAM (CONTINUED) VOLUNTARY MEDICARE PRESCRIPTION DRUG BENEFIT Cost Control and Quality Improvement Requirements § 423.159 Electronic prescription drug program. (a) Definitions...

42 CFR 423.159 - Electronic prescription drug program.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 42 Public Health 3 2014-10-01 2014-10-01 false Electronic prescription drug program. 423.159... SERVICES (CONTINUED) MEDICARE PROGRAM (CONTINUED) VOLUNTARY MEDICARE PRESCRIPTION DRUG BENEFIT Cost Control and Quality Improvement Requirements § 423.159 Electronic prescription drug program. (a) Definitions...

42 CFR 423.159 - Electronic prescription drug program.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 42 Public Health 3 2013-10-01 2013-10-01 false Electronic prescription drug program. 423.159... SERVICES (CONTINUED) MEDICARE PROGRAM (CONTINUED) VOLUNTARY MEDICARE PRESCRIPTION DRUG BENEFIT Cost Control and Quality Improvement Requirements § 423.159 Electronic prescription drug program. (a) Definitions...

First principles calculation of current-induced forces in atomic gold contacts

NASA Astrophysics Data System (ADS)

Brandbyge, Mads; Stokbro, Kurt; Taylor, Jeremy; Mozos, Jose-Luis; Ordejon, Pablo

2002-03-01

We have recently developed an first principles method [1] for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. Our method is based on the density functional theory (DFT) as implemented in the well tested SIESTA program [2]. We fully deal with the atomistic structure of the whole system, treating both the contact and the electrodes on the same footing. The effect of the finite bias (including selfconsistency and the solution of the electrostatic problem) is taken into account using nonequilibrium Green's functions. In this talk we show results for the forces acting on the contact atoms due to the nonequilibrium situation in the electronic subsystem, i.e. in the presence of an electronic current. We concentrate on one atom wide gold contacts/wires connected to bulk gold electrodes. References [1] Our implementation is called TranSIESTA and is described in M. Brandbyge, J. Taylor, K. Stokbro, J-L. Mozos, and P. Ordejon, cond-mat/0110650 [2] D. Sanchez-Portal, P. Ordejon, E. Artacho and J. Soler, Int. J. Quantum Chem. 65, 453 (1997).

Bi-continuous Multi-component Nanocrystal Superlattices for Solar Energy Conversion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kagan, Cherie; Murray, Christopher; Kikkawa, James

2017-06-14

Our SISGR program studied an emerging class of nanomaterials wherein different combinations of semiconductor or semiconductor and plasmonic nanocrystals (NCs) are self-assembled into three-dimensional multi-component superlattices. The NC assemblies were designed to form bicontinuous semiconductor NC sublattices with type-II energy offsets to drive charge separation onto electron and hole transporting sublattices for collection and introduce plasmonic NCs to increase solar absorption and charge separation. Our group is expert in synthesizing and assembling an extraordinary variety of artificial systems by tailoring the NC building blocks and the superlattice unit cell geometry. Under this DOE BES Materials Chemistry program, we introduced chemicalmore » methods to control inter-particle distance and to dope NC assemblies, which enabled our demonstration of strong electronic communication between NCs and the use of NC thin films as electronic materials. We synthesized, assembled and structurally, spectroscopically, and electrically probed NC superlattices to understand and manipulate the flow of energy and charge toward discovering the design rules and optimizing these complex architectures to create materials that efficiently convert solar radiation into electricity.« less

A web-based rapid prototyping and clinical conversational system that complements electronic patient record system.

PubMed

Kim, J H; Ferziger, R; Kawaloff, H B; Sands, D Z; Safran, C; Slack, W V

2001-01-01

Even the most extensive hospital information system cannot support all the complex and ever-changing demands associated with a clinical database, such as providing department or personal data forms, and rating scales. Well-designed clinical dialogue programs may facilitate direct interaction of patients with their medical records. Incorporation of extensive and loosely structured clinical data into an existing medical record system is an essential step towards a comprehensive clinical information system, and can best be achieved when the practitioner and the patient directly enter the contents. We have developed a rapid prototyping and clinical conversational system that complements the electronic medical record system, with its generic data structure and standard communication interfaces based on Web technology. We believe our approach can enhance collaboration between consumer-oriented and provider-oriented information systems.

Drastic reduction of adsorption of CO and H2 on (111)-type Pd layers

NASA Technical Reports Server (NTRS)

Poppa, H.; Soria, F.

1983-01-01

Clean surfaces of (111)-type Pd layers, grown from the vapor phase on Mo(110) at room temperature, were used to study the adsorption of CO and H2 by temperature-programmed desorption, Auger electron spectroscopy, and low-energy electron diffraction. Mild annealing of the as-grown layers during a single desorption cycle (to about 600 K) drastically reduces the adsorption for both adsorbates. Low-dose argon-ion bombardment introduces surface imperfections which restore a high adsorption probability. The results are interpreted in terms of particular (111)-type surface structures that persist tp layer thicknesses of about four monolayers; the results raise questions with respect to the surface structure of supported thin epitaxial islands and particles of Pd and possibly also with respect to conventional methods of preparing bulk surfaces of Pd for adsorption studies.

GTKDynamo: a PyMOL plug-in for QC/MM hybrid potential simulations

PubMed Central

Bachega, José Fernando R.; Timmers, Luís Fernando S.M.; Assirati, Lucas; Bachega, Leonardo R.; Field, Martin J.; Wymore, Troy

2014-01-01

Hybrid quantum chemical (QC)/molecular mechanical (MM) potentials are very powerful tools for molecular simulation. They are especially useful for studying processes in condensed phase systems, such as chemical reactions, that involve a relatively localized change in electronic structure and where the surrounding environment contributes to these changes but can be represented with more computationally efficient functional forms. Despite their utility, however, these potentials are not always straightforward to apply since the extent of significant electronic structure changes occurring in the condensed phase process may not be intuitively obvious. To facilitate their use we have developed an open-source graphical plug-in, GTKDynamo, that links the PyMOL visualization program and the pDynamo QC/MM simulation library. This article describes the implementation of GTKDynamo and its capabilities and illustrates its application to QC/MM simulations. PMID:24137667

Theoretical study on the structural, mechanical, electronic properties and QTAIM of CrB4 as a hard material

NASA Astrophysics Data System (ADS)

Li, Xiao-Hong; Cui, Hong-Ling; Zhang, Rui-Zhou

2017-08-01

Not Available Project supported by the National Natural Science Foundation of China (Grant No. U1304111), Program for Science & Technology Innovation Talents in Universities of Henan Province, China (Grant No. 14HASTIT039), and the Innovation Team of Henan University of Science and Technology, China (Grant No. 2015XTD001)

Electronic Structure and Visible-Light Absorption of Transition Metals (TM=Cr, Mn, Fe, Co) and Zn-Codoped SrTiO3: a First-Principles Study

NASA Astrophysics Data System (ADS)

Wang, Yue-Qin; Liu, Yin; Zhang, Ming-Xu; Min, Fan-Fei

2018-01-01

Not Available Supported by the National Natural Science Foundation of China under Grant No 51474011, the Postdoctoral Science Foundation of China under Grant No 2014M550337, and the Key Technologies R&D Program of Anhui Province of China under Grant No 1604a0802122.

Advanced technology requirements for large space structures. Part 5: Atlas program requirements

NASA Technical Reports Server (NTRS)

Katz, E.; Lillenas, A. N.; Broddy, J. A.

1977-01-01

The results of a special study which identifies and assigns priorities to technology requirements needed to accomplish a particular scenario of future large area space systems are described. Proposed future systems analyzed for technology requirements included large Electronic Mail, Microwave Radiometer, and Radar Surveillance Satellites. Twenty technology areas were identified as requirements to develop the proposed space systems.

Conventions and workflows for using Situs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wriggers, Willy, E-mail: wriggers@biomachina.org

2012-04-01

Recent developments of the Situs software suite for multi-scale modeling are reviewed. Typical workflows and conventions encountered during processing of biophysical data from electron microscopy, tomography or small-angle X-ray scattering are described. Situs is a modular program package for the multi-scale modeling of atomic resolution structures and low-resolution biophysical data from electron microscopy, tomography or small-angle X-ray scattering. This article provides an overview of recent developments in the Situs package, with an emphasis on workflows and conventions that are important for practical applications. The modular design of the programs facilitates scripting in the bash shell that allows specific programs tomore » be combined in creative ways that go beyond the original intent of the developers. Several scripting-enabled functionalities, such as flexible transformations of data type, the use of symmetry constraints or the creation of two-dimensional projection images, are described. The processing of low-resolution biophysical maps in such workflows follows not only first principles but often relies on implicit conventions. Situs conventions related to map formats, resolution, correlation functions and feature detection are reviewed and summarized. The compatibility of the Situs workflow with CCP4 conventions and programs is discussed.« less

Theory of Magnetic Edge States in Chiral Graphene Nanoribbons

NASA Astrophysics Data System (ADS)

Capaz, Rodrigo; Yazyev, Oleg; Louie, Steven

2011-03-01

Using a model Hamiltonian approach including electron Coulomb interactions, we systematically investigate the electronic structure and magnetic properties of chiral graphene nanoribbons. We show that the presence of magnetic edge states is an intrinsic feature of any smooth graphene nanoribbons with chiral edges, and discover a number of structure-property relations. Specifically, we describe how the edge-state energy gap, zone-boundary edge-state energy splitting, and magnetic moment per edge length depend on the nanoribbon width and chiral angle. The role of environmental screening effects is also studied. Our results address a recent experimental observation of signatures of magnetic ordering at smooth edges of chiral graphene nanoribbons and provide an avenue towards tuning their properties via the structural and environmental degrees of freedom. This work was supported by National Science Foundation Grant No. DMR10-1006184, the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 and the ONR MURI program. RBC acknowledges financial support from Brazilian agencies CNPq, FAPERJ and INCT-Nanomateriais de Carbono.

42 CFR 423.159 - Electronic prescription drug program.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 42 Public Health 3 2011-10-01 2011-10-01 false Electronic prescription drug program. 423.159... SERVICES (CONTINUED) MEDICARE PROGRAM VOLUNTARY MEDICARE PRESCRIPTION DRUG BENEFIT Cost Control and Quality Improvement Requirements § 423.159 Electronic prescription drug program. (a) Definitions. For purposes of this...

Cucheb: A GPU implementation of the filtered Lanczos procedure

NASA Astrophysics Data System (ADS)

Aurentz, Jared L.; Kalantzis, Vassilis; Saad, Yousef

2017-11-01

This paper describes the software package Cucheb, a GPU implementation of the filtered Lanczos procedure for the solution of large sparse symmetric eigenvalue problems. The filtered Lanczos procedure uses a carefully chosen polynomial spectral transformation to accelerate convergence of the Lanczos method when computing eigenvalues within a desired interval. This method has proven particularly effective for eigenvalue problems that arise in electronic structure calculations and density functional theory. We compare our implementation against an equivalent CPU implementation and show that using the GPU can reduce the computation time by more than a factor of 10. Program Summary Program title: Cucheb Program Files doi:http://dx.doi.org/10.17632/rjr9tzchmh.1 Licensing provisions: MIT Programming language: CUDA C/C++ Nature of problem: Electronic structure calculations require the computation of all eigenvalue-eigenvector pairs of a symmetric matrix that lie inside a user-defined real interval. Solution method: To compute all the eigenvalues within a given interval a polynomial spectral transformation is constructed that maps the desired eigenvalues of the original matrix to the exterior of the spectrum of the transformed matrix. The Lanczos method is then used to compute the desired eigenvectors of the transformed matrix, which are then used to recover the desired eigenvalues of the original matrix. The bulk of the operations are executed in parallel using a graphics processing unit (GPU). Runtime: Variable, depending on the number of eigenvalues sought and the size and sparsity of the matrix. Additional comments: Cucheb is compatible with CUDA Toolkit v7.0 or greater.

The Knowledge Program: an Innovative, Comprehensive Electronic Data Capture System and Warehouse

PubMed Central

Katzan, Irene; Speck, Micheal; Dopler, Chris; Urchek, John; Bielawski, Kay; Dunphy, Cheryl; Jehi, Lara; Bae, Charles; Parchman, Alandra

2011-01-01

Data contained in the electronic health record (EHR) present a tremendous opportunity to improve quality-of-care and enhance research capabilities. However, the EHR is not structured to provide data for such purposes: most clinical information is entered as free text and content varies substantially between providers. Discrete information on patients’ functional status is typically not collected. Data extraction tools are often unavailable. We have developed the Knowledge Program (KP), a comprehensive initiative to improve the collection of discrete clinical information into the EHR and the retrievability of data for use in research, quality, and patient care. A distinct feature of the KP is the systematic collection of patient-reported outcomes, which is captured discretely, allowing more refined analyses of care outcomes. The KP capitalizes on features of the Epic EHR and utilizes an external IT infrastructure distinct from Epic for enhanced functionality. Here, we describe the development and implementation of the KP. PMID:22195124

Embedded Thermal Control for Spacecraft Subsystems Miniaturization

NASA Technical Reports Server (NTRS)

Didion, Jeffrey R.

2014-01-01

Optimization of spacecraft size, weight and power (SWaP) resources is an explicit technical priority at Goddard Space Flight Center. Embedded Thermal Control Subsystems are a promising technology with many cross cutting NSAA, DoD and commercial applications: 1.) CubeSatSmallSat spacecraft architecture, 2.) high performance computing, 3.) On-board spacecraft electronics, 4.) Power electronics and RF arrays. The Embedded Thermal Control Subsystem technology development efforts focus on component, board and enclosure level devices that will ultimately include intelligent capabilities. The presentation will discuss electric, capillary and hybrid based hardware research and development efforts at Goddard Space Flight Center. The Embedded Thermal Control Subsystem development program consists of interrelated sub-initiatives, e.g., chip component level thermal control devices, self-sensing thermal management, advanced manufactured structures. This presentation includes technical status and progress on each of these investigations. Future sub-initiatives, technical milestones and program goals will be presented.

Biaxial Creep Specimen Fabrication

DOE Office of Scientific and Technical Information (OSTI.GOV)

JL Bump; RF Luther

This report documents the results of the weld development and abbreviated weld qualification efforts performed by Pacific Northwest National Laboratory (PNNL) for refractory metal and superalloy biaxial creep specimens. Biaxial creep specimens were to be assembled, electron beam welded, laser-seal welded, and pressurized at PNNL for both in-pile (JOYO reactor, O-arai, Japan) and out-of-pile creep testing. The objective of this test campaign was to evaluate the creep behavior of primary cladding and structural alloys under consideration for the Prometheus space reactor. PNNL successfully developed electron beam weld parameters for six of these materials prior to the termination of the Navalmore » Reactors program effort to deliver a space reactor for Project Prometheus. These materials were FS-85, ASTAR-811C, T-111, Alloy 617, Haynes 230, and Nirnonic PE16. Early termination of the NR space program precluded the development of laser welding parameters for post-pressurization seal weldments.« less

WinClastour—a Visual Basic program for tourmaline formula calculation and classification

NASA Astrophysics Data System (ADS)

Yavuz, Fuat; Yavuz, Vural; Sasmaz, Ahmet

2006-10-01

WinClastour is a Microsoft ® Visual Basic 6.0 program that enables the user to enter and calculate structural formulae of tourmaline analyses obtained both by the electron-microprobe or wet-chemical analyses. It is developed to predict cation site-allocations at the different structural positions, as well as to estimate mole percent of the end-members of the calcic-, alkali-, and X-site vacant group tourmalines. Using the different normalization schemes, such as 24.5 oxygens, 31 anions, 15 cations ( T+ Z+ Y), and 6 silicons, the present program classifies tourmaline data based on the classification scheme proposed by Hawthorne and Henry [1999. Classification of the minerals of the tourmaline group. European Journal of Mineralogy 11, 201-215]. The present program also enables the user Al-Mg disorder between Y and Z sites. WinClastour stores all the calculated results in a comma-delimited ASCII file format. Hence, output of the program can be displayed and processed by any other software for general data manipulation and graphing purposes. The compiled program code together with a test data file and related graphic files, which are designed to produce a high-quality printout from the Grapher program of Golden Software, is approximately 3 Mb as a self-extracting setup file.

Optically programmable electron spin memory using semiconductor quantum dots.

PubMed

Kroutvar, Miro; Ducommun, Yann; Heiss, Dominik; Bichler, Max; Schuh, Dieter; Abstreiter, Gerhard; Finley, Jonathan J

2004-11-04

The spin of a single electron subject to a static magnetic field provides a natural two-level system that is suitable for use as a quantum bit, the fundamental logical unit in a quantum computer. Semiconductor quantum dots fabricated by strain driven self-assembly are particularly attractive for the realization of spin quantum bits, as they can be controllably positioned, electronically coupled and embedded into active devices. It has been predicted that the atomic-like electronic structure of such quantum dots suppresses coupling of the spin to the solid-state quantum dot environment, thus protecting the 'spin' quantum information against decoherence. Here we demonstrate a single electron spin memory device in which the electron spin can be programmed by frequency selective optical excitation. We use the device to prepare single electron spins in semiconductor quantum dots with a well defined orientation, and directly measure the intrinsic spin flip time and its dependence on magnetic field. A very long spin lifetime is obtained, with a lower limit of about 20 milliseconds at a magnetic field of 4 tesla and at 1 kelvin.

Resonant coherent excitation of hydrogen-like ions planar channeled in a crystal; Transition into the first excited state

NASA Astrophysics Data System (ADS)

Babaev, A.; Pivovarov, Yu. L.

2012-03-01

The presented program is designed to simulate the characteristics of resonant coherent excitation of hydrogen-like ions planar-channeled in a crystal. The program realizes the numerical algorithm to solve the Schrödinger equation for the ion-bound electron at a special resonance excitation condition. The calculated wave function of the bound electron defines probabilities for the ion to be in the either ground or first excited state, or to be ionized. Finally, in the outgoing beam the fractions of ions in the ground state, in the first excited state, and ionized by collisions with target electrons, are defined. The program code is written on C++ and is designed for multiprocessing systems (clusters). The output data are presented in the table. Program summaryProgram title: RCE_H-like_1 Catalogue identifier: AEKX_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKX_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2813 No. of bytes in distributed program, including test data, etc.: 34 667 Distribution format: tar.gz Programming language: C++ (g++, icc compilers) Computer: Multiprocessor systems (clusters) Operating system: Any OS based on LINUX; program was tested under Novell SLES 10 Has the code been vectorized or parallelized?: Yes. Contains MPI directives RAM: <1 MB per processor Classification: 2.1, 2.6, 7.10 External routines: MPI library for GNU C++, Intel C++ compilers Nature of problem: When relativistic hydrogen-like ion moves in the crystal in the planar channeling regime, in the ion rest frame the time-periodic electric field acts on the bound electron. If the frequency of this field matches the transition frequency between electronic energy levels, the resonant coherent excitation can take place. Therefore, ions in the different states may be observed in the outgoing beam behind the crystal. To get the probabilities for the ion to be in the ground state or in the first excited state, or to be ionized, the Schrödinger equation is solved for the electron of ion. The numerical solving of the Schrödinger equation is carried out taking into account the fine structure of electronic energy levels, the Stark effect due to the influence of the crystal electric field on electronic energy levels and the ionization of ion due to the collisions with crystal electrons. Solution method: The wave function of the electron of ion is the superposition of the wave functions of stationary states with time-dependent coefficients. These stationary wave functions and corresponding energies are defined from the stationary Schrödinger equation. The equation is reduced to the problem of the eigen values and vectors of Hermitian matrix. The corresponding matrix equation is considered as the linear equation system. Then the time-dependent coefficients of the electron wave function are defined from the Schrödinger equation, with a time-periodic crystal field. The time-periodic field is responsible for the transitions between the stationary states. The final time-dependent Schrödinger equation represents the matrix equation which has been solved by means of the QR-algorithm. Restrictions: As expected the program gives the correct results for relativistic hydrogen-like ions with the kinetic energies up to 1 GeV/u and at the crystal thicknesses of 1-100 μm. The restrictions are: first, the program might give inadequate results, when the ion kinetic energy is too large (>10 GeV/u); second, the unaccounted physical factors may be significant at specific conditions. For example, the spontaneous emission by exited highly charged ions, as well as both energy and angular spread of the incident beam, could lead to additional broadening of the resonance. The medium polarization by the electric field of ion can influence the electronic energy levels of the ion in the non-relativistic case. The role of these factors was discussed in the references. Also, the large crystal thickness may require large computational time. Running time: In general, the running time depends on the number of processors. In our tests we used the crystal thickness up to 100 μm and the number of 2.66 GHz processors was up to 100. The running time was about 1 hour in these conditions.

Optics and materials research for controlled radiant energy transfer in buildings

NASA Astrophysics Data System (ADS)

Goldner, R. B.

1983-11-01

The overall objective of the Tufts research program was to identify and attempt to solve some of the key materials problems associated with practical approaches for achieving controlled radiant energy transfer (CRET) through building windows and envelopes, so as to decrease heating and cooling loads in buildings. Major accomplishments included: the identification of electrochromic (EC)-based structures as the preferred structures for achieving CRET; the identification of modulated reflectivity as the preferred mode of operation for EC-based structures; demonstration of the feasibility of operating EC-materials in a modulated R(lambda) mode; and demonstration of the applicability of free electron model to colored polycrystalline WO3 films.

Radiation oncology and medical physicists quality assurance in British Columbia Cancer Agency Provincial Prostate Brachytherapy Program.

PubMed

Keyes, Mira; Morris, William James; Spadinger, Ingrid; Araujo, Cynthia; Cheung, Arthur; Chng, Nick; Crook, Juanita; Halperin, Ross; Lapointe, Vince; Miller, Stacy; Pai, Howard; Pickles, Tom

2013-01-01

To describe in detail British Columbia (BC) Cancer Agency (BCCA) Provincial Prostate Brachytherapy (PB) Quality Assurance (QA) Program. The BCCA PB Program was established in 1997. It operates as one system, unified and supported by electronic and information systems, making it a single PB treatment provider for province of BC and Yukon. To date, >4000 patients have received PB (450 implants in 2011), making it the largest program in Canada. The Program maintains a large provincial prospective electronic database with records on all patients, including disease characteristics, risk stratification, pathology, preplan and postimplant dosimetric data, follow-up of prostate-specific antigen, and toxicity outcomes. QA was an integral part of the program since its inception. A formal QA Program was established in 2002, with key components that include: unified eligibility criteria and planning system, comprehensive database, physics and oncologist training and mentorship programs, peer review process, individual performance outcomes and feedback process, structured continuing education and routine assessment of the program's dosimetry, toxicity and prostate-specific antigen outcomes, administration and program leadership that promotes a strong culture of patient safety. The emphasis on creating a robust, broad-based network of skilled providers has been achieved by the program's requirements for training, education, and the QA process. The formal QA process is considered a key factor for the success of cancer control outcomes achieved at BCCA. Although this QA model may not be wholly transferable to all PB programs, some of its key components may be applicable to other programs to ensure quality in PB and patient safety. Crown Copyright © 2013. Published by Elsevier Inc. All rights reserved.

Chemical Control of Charge Trapping and Charge Transfer Processes at the Organic-Inorganic Interface within Quantum Dot-Organic Complexes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weiss, Emily A.

Within the research program funded through the Early Career Research Award we designed complexes of colloidal semiconductor quantum dots (QDs) and organic molecules in which the interfacial chemistry controls the electronic structure and dynamics of the excitonic state of the QD. The program included two main projects; (1) investigation of the mechanisms by which organic surfactants control the quantum confinement of excitonic charge carriers; and (2) development of models for electron transfer between QDs and adsorbed molecules as a function of interfacial chemistry. This project was extremely successful in that our achievements in those two areas addressed the great majoritymore » of questions we outlined in the original proposal and answered questions I did not think to ask in that original proposal. Our work led to the discovery of “exciton delocalizing ligands”, which change the electronic structure of colloidal semiconductor nanocrystals by altering, with small synthetic modifications to their surfaces, their most defining characteristic – the quantum confinement of their excited states. It also led to detailed, quantitative descriptions of how the surface chemistry of a QD dictates, thermodynamically and kinetically, the probability of exchange of electrons between the QD and a small molecule. We used two of the three major techniques in the proposal (transient photoluminescence and transient absorption). Electrogenerated chemiluminescence was also proposed, but was too technically difficult with these systems to be useful. Instead, NMR spectroscopy emerged as a major analytical tool in our studies. With the fundamental advancements we made with this project, we believe that we can design QDs to be the next great class of visible-light photocatalysts.« less

ABINIT: First-principles approach to material and nanosystem properties

NASA Astrophysics Data System (ADS)

Gonze, X.; Amadon, B.; Anglade, P.-M.; Beuken, J.-M.; Bottin, F.; Boulanger, P.; Bruneval, F.; Caliste, D.; Caracas, R.; Côté, M.; Deutsch, T.; Genovese, L.; Ghosez, Ph.; Giantomassi, M.; Goedecker, S.; Hamann, D. R.; Hermet, P.; Jollet, F.; Jomard, G.; Leroux, S.; Mancini, M.; Mazevet, S.; Oliveira, M. J. T.; Onida, G.; Pouillon, Y.; Rangel, T.; Rignanese, G.-M.; Sangalli, D.; Shaltaf, R.; Torrent, M.; Verstraete, M. J.; Zerah, G.; Zwanziger, J. W.

2009-12-01

ABINIT [ http://www.abinit.org] allows one to study, from first-principles, systems made of electrons and nuclei (e.g. periodic solids, molecules, nanostructures, etc.), on the basis of Density-Functional Theory (DFT) and Many-Body Perturbation Theory. Beyond the computation of the total energy, charge density and electronic structure of such systems, ABINIT also implements many dynamical, dielectric, thermodynamical, mechanical, or electronic properties, at different levels of approximation. The present paper provides an exhaustive account of the capabilities of ABINIT. It should be helpful to scientists that are not familiarized with ABINIT, as well as to already regular users. First, we give a broad overview of ABINIT, including the list of the capabilities and how to access them. Then, we present in more details the recent, advanced, developments of ABINIT, with adequate references to the underlying theory, as well as the relevant input variables, tests and, if available, ABINIT tutorials. Program summaryProgram title: ABINIT Catalogue identifier: AEEU_v1_0 Distribution format: tar.gz Journal reference: Comput. Phys. Comm. Programming language: Fortran95, PERL scripts, Python scripts Computer: All systems with a Fortran95 compiler Operating system: All systems with a Fortran95 compiler Has the code been vectorized or parallelized?: Sequential, or parallel with proven speed-up up to one thousand processors. RAM: Ranges from a few Mbytes to several hundred Gbytes, depending on the input file. Classification: 7.3, 7.8 External routines: (all optional) BigDFT [1], ETSF IO [2], libxc [3], NetCDF [4], MPI [5], Wannier90 [6] Nature of problem: This package has the purpose of computing accurately material and nanostructure properties: electronic structure, bond lengths, bond angles, primitive cell size, cohesive energy, dielectric properties, vibrational properties, elastic properties, optical properties, magnetic properties, non-linear couplings, electronic and vibrational lifetimes, etc. Solution method: Software application based on Density-Functional Theory and Many-Body Perturbation Theory, pseudopotentials, with planewaves, Projector-Augmented Waves (PAW) or wavelets as basis functions. Running time: From less than one second for the simplest tests, to several weeks. The vast majority of the >600 provided tests run in less than 30 seconds. References:[1] http://inac.cea.fr/LSim/BigDFT. [2] http://etsf.eu/index.php?page=standardization. [3] http://www.tddft.org/programs/octopus/wiki/index.php/Libxc. [4] http://www.unidata.ucar.edu/software/netcdf. [5] http://en.wikipedia.org/wiki/MessagePassingInterface. [6] http://www.wannier.org.

DOE Office of Scientific and Technical Information (OSTI.GOV)

None

Progress is reported on fundamental research in: crystal physics, reactions at metal surfaces, spectroscopy of ionic media, structure of metals, theory of alloying, physical properties, sintering, deformation of crystalline solids, x ray diffraction, metallurgy of superconducting materials, and electron microscope studies. Long-randge applied research studies were conducted for: zirconium metallurgy, materials compatibility, solid reactions, fuel element development, mechanical properties, non-destructive testing, and high-temperature materials. Reactor development support work was carried out for: gas-cooled reactor program, molten-salt reactor, high-flux isotope reactor, space-power program, thorium-utilization program, advanced-test reactor, Army Package Power Reactor, Enrico Fermi fast-breeder reactor, and water desalination program. Other programmore » activities, for which research was conducted, included: thermonuclear project, transuraniunn program, and post-irradiation examination laboratory. Separate abstracts were prepared for 30 sections of the report. (B.O.G.)« less

The PSML format and library for norm-conserving pseudopotential data curation and interoperability

NASA Astrophysics Data System (ADS)

García, Alberto; Verstraete, Matthieu J.; Pouillon, Yann; Junquera, Javier

2018-06-01

Norm-conserving pseudopotentials are used by a significant number of electronic-structure packages, but the practical differences among codes in the handling of the associated data hinder their interoperability and make it difficult to compare their results. At the same time, existing formats lack provenance data, which makes it difficult to track and document computational workflows. To address these problems, we first propose a file format (PSML) that maps the basic concepts of the norm-conserving pseudopotential domain in a flexible form and supports the inclusion of provenance information and other important metadata. Second, we provide a software library (libPSML) that can be used by electronic structure codes to transparently extract the information in the file and adapt it to their own data structures, or to create converters for other formats. Support for the new file format has been already implemented in several pseudopotential generator programs (including ATOM and ONCVPSP), and the library has been linked with SIESTA and ABINIT, allowing them to work with the same pseudopotential operator (with the same local part and fully non-local projectors) thus easing the comparison of their results for the structural and electronic properties, as shown for several example systems. This methodology can be easily transferred to any other package that uses norm-conserving pseudopotentials, and offers a proof-of-concept for a general approach to interoperability.

Paper-based piezoelectric touch pads with hydrothermally grown zinc oxide nanowires.

PubMed

Li, Xiao; Wang, Yu-Hsuan; Zhao, Chen; Liu, Xinyu

2014-12-24

This paper describes a new type of paper-based piezoelectric touch pad integrating zinc oxide nanowires (ZnO NWs), which can serve as user interfaces in paper-based electronics. The sensing functionality of these touch pads is enabled by the piezoelectric property of ZnO NWs grown on paper using a simple, cost-efficient hydrothermal method. A piece of ZnO-NW paper with two screen-printed silver electrodes forms a touch button, and touch-induced electric charges from the button are converted into a voltage output using a charge amplifier circuit. A touch pad consisting of an array of buttons can be readily integrated into paper-based electronic devices, allowing user input of information for various purposes such as programming, identification checking, and gaming. This novel design features ease of fabrication, low cost, ultrathin structure, and good compatibility with techniques in printed electronics, and further enriches the available technologies of paper-based electronics.

The NASA Electronic Parts and Packaging (NEPP) Program: Overview and Update FY15 and Beyond

NASA Technical Reports Server (NTRS)

LaBel, Kenneth A.; Sampson, Michael J.

2016-01-01

The NASA Electronic Parts and Packaging (NEPP) program, and its subset the NASA Electronic Parts Assurance Group (NEPAG), are NASA's point-of-contacts for reliability and radiation tolerance of electrical, electronic, and electromechanical (EEE) parts and their packages. This presentation includes a Fiscal Year 2015 program overview.

Mississippi Curriculum Framework for Electronics (Program CIP: 47.0190--Electronics (Secondary)). Secondary Programs.

ERIC Educational Resources Information Center

Mississippi Research and Curriculum Unit for Vocational and Technical Education, State College.

This document, which reflects Mississippi's statutory requirement that instructional programs be based on core curricula and performance-based assessment, contains outlines of the instructional units required in local instructional management plans and daily lesson plans for two secondary-level courses in electronics: electronics I and II.…

Survey of academic pediatric hospitalist programs in the US: organizational, administrative, and financial factors.

PubMed

Gosdin, Craig; Simmons, Jeffrey; Yau, Connie; Sucharew, Heidi; Carlson, Douglas; Paciorkowski, Natalia

2013-06-01

Many pediatric academic centers have hospital medicine programs. Anecdotal data suggest that variability exists in program structure. To provide a description of the organizational, administrative, and financial structures of academic pediatric hospital medicine (PHM). This online survey focused on the organizational, administrative, and financial aspects of academic PHM programs, which were defined as hospitalist programs at US institutions associated with accredited pediatric residency program (n = 246) and identified using the Accreditation Council for Graduate Medical Education (ACGME) Fellowship and Residency Electronic Interactive Database. PHM directors and/or residency directors were targeted by both mail and the American Academy of Pediatrics Section on Hospital Medicine LISTSERV. The overall response rate was 48.8% (120/246). 81.7% (98/120) of hospitals reported having an academic PHM program, and 9.1% (2/22) of hospitals without a program reported plans to start a program in the next 3 years. Over a quarter of programs provide coverage at multiple sites. Variability was identified in many program factors, including hospitalist workload and in-house coverage provided. Respondents reported planning increased in-house hospitalist coverage coinciding with the 2011 ACGME work-hour restrictions. Few programs reported having revenues greater than expenses (26% single site, 4% multiple site). PHM programs exist in the majority of academic centers, and there appears to be variability in many program factors. This study provides the most comprehensive data on academic PHM programs and can be used for benchmarking as well as program development. Copyright © 2013 Society of Hospital Medicine.

Microgravity Science and Application Program tasks, 1989 revision

NASA Technical Reports Server (NTRS)

1990-01-01

The active research tasks, as of the fiscal year 1989, of the Microgravity Science and Applications Program, NASA Office of Space Science and Applications, involving several NASA Centers and other organizations are compiled. The purpose is to provide an overview of the program scope for managers and scientists in industry, university, and government communities. The scientists in industry, university, and government communities. An introductory description of the program, the strategy and overall goal, identification of the organizational structures and people involved, and a description of each task are included. Also provided is a list of recent publications. The tasks are grouped into several major categories: electronic materials, solidification of metals, alloys, and composites; fluids, interfaces, and transport; biotechnology; glasses and ceramics; combustion science; physical and chemistry experiments (PACE); and experimental technology, facilities, and instrumentation.

Site Remediation Technology InfoBase: A Guide to Federal Programs, Information Resources, and Publications on Contaminated Site Cleanup Technologies. First Edition

NASA Technical Reports Server (NTRS)

1998-01-01

Table of Contents: Federal Cleanup Programs; Federal Site Remediation Technology Development Assistance Programs; Federal Site Remediation Technology Development Electronic Data Bases; Federal Electronic Resources for Site Remediation Technology Information; Other Electronic Resources for Site Remediation Technology Information; Other Electronic Resources for Site Remediation Technology Information; Selected Bibliography: Federal Publication on Alternative and Innovative Site Remediation; and Appendix: Technology Program Contacts.

Can we judge an oxide by its cover? The case of the metal/oxide interface from first principles

NASA Astrophysics Data System (ADS)

Caspary Toroker, Maytal

Metal/metal-oxide interfaces appear in a wide variety of disciplines including electronics, corrosion, electrochemistry, and catalysis. Specifically, covering a metal-oxide with a metal is often thought to enhance solar energy absorption and to improve photocatalytic activity. For example, the platinum/hematite (Pt/ α-Fe2O3) interface has demonstrated improved functionality. In order to advance our understanding of how metal coverage over an oxide helps performance, we characterize the geometry and electronic structure of the Pt/ α-Fe2O3 interface. We investigate the interface using density functional theory +U, and find a stable crystallographic orientation relationship that agrees with experiment. Furthermore, there are significant changes in the electronic structure of α-Fe2O3 as a result of Pt coverage. We therefore suggest the concept of ``judging'' the electronic properties of an oxide only with its cover. Specifically, covering Fe2O3 with Pt reduces carrier effective mass and creates a continuum of states in the band gap. The former could be beneficial for catalytic activity, while the latter may cause surface recombination. In order to circumvent this problem, we suggest putting metal coverage behind the oxide and far from the electrolyte in a photoelectrochemical device in order to quickly collect electron carriers and avoid recombination with vulnerable holes accumulating as a result of catalysis at the surface. Reference: O. Neufeld and M. Caspary Toroker, ``Can we judge an oxide by its cover? The case of platinum over alpha-Fe2O3 from first principles'', Phys. Chem. Chem. Phys. 17, 24129 (2015). This research was supported by the Morantz Energy Research Fund, the Nancy and Stephen Grand Technion Energy Program, the I-CORE Program of the Planning and Budgeting Committee, and The Israel Science Foundation (Grant No. 152/11).

Orbital frustration induced unusual ordering in semiconductor alloys

NASA Astrophysics Data System (ADS)

Liu, Kai; Yin, Wanjian; Chen, Shiyou; Gong, Xingao; Wei, Suhuai; Xiang, Hongjun

It is well known that ternary zinc-blende semiconductors are always more stable in the chalcopyrite (CH) structure than the Cu-Au (CA) structure because CH structure has large Coulomb interaction and reduced strain energy. Surprisingly, an experimental study showed that ZnFeSe2 alloy takes the CA order as the ground state structure, which is consistent with our density function theory (DFT) calculations showing that the CA order has lower energy than the CH order for ZnFeSe2. We reveal that the orbital degree of freedom of high-spin Fe2+ ion (d6) in the tetrahedral crystal field plays a key role in stabilizing the CA order. First, the spin-minority d electron of the Fe2+ ion tends to occupy the dx2-y 2 -like orbital instead of the d3z2 -r2 -like orbital because of its large negative Coulomb energy. Second, for a nearest-neighboring Fe2+ pair, two spin-minority d electrons with occupied dx2-y 2 -like orbitals in the plane containing the Fe-Fe bond has lower electronic kinetic energy. Both conditions can be satisfied in the CA ordered ZnFeSe2 alloy, while there is an orbital frustration in the CH structure. Our results suggest that orbital degree of freedom provides a new way to manipulate the structure and properties of alloys. Work at Fudan was supported by NSFC (11374056), the Special Funds for Major State Basic Research (2012CB921400, 2015CB921700), Program for Professor of Special Appointment (Eastern Scholar), and Fok Ying Tung Education Foundation.

Wide-Temperature Electronics for Thermal Control of Nanosats

NASA Technical Reports Server (NTRS)

Dickman, John Ellis; Gerber, Scott

2000-01-01

This document represents a presentation which examines the wide and low-temperature electronics required for NanoSatellites. In the past, larger spacecraft used Radioisotope Heating Units (RHU's). The advantage of the use of these electronics is that they could eliminate or reduce the requirement for RHU's, reduce system weight and simplify spacecraft design by eliminating containment/support structures for RHU's. The Glenn Research Center's Wide/Low Temperature Power Electronics Program supports the development of power systems capable of reliable, efficient operation over wide and low temperature ranges. Included charts review the successes and failures of various electronic devices, the IRF541 HEXFET, The NE76118n-Channel GaAS MESFET, the Lithium Carbon Monofluoride Primary Battery, and a COTS DC-DC converter. The preliminary result of wide/low temperature testing of CTS and custom parts and power circuit indicate that through careful selection of components and technologies it is possible to design and build power circuits which operate from room temperature to near 100K.

Measurements of a Newly Designed BPM for the Tevatron Electron Lens 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scarpine, V. E.; Kamerdzhiev, V.; Fellenz, B.

2006-11-20

Fermilab has developed a second electron lens (TEL-2) for beam-beam compensation in the Tevatron as part of its Run II upgrade program. Operation of the beam position monitors (BPMs) in the first electron lens (TEL-1) showed a systematic transverse position difference between short proton bunches (2 ns sigma) and long electron pulses ({approx}1 us) of up to {approx}1.5 mm. This difference was attributed to frequency dependence in the BPM system. The TEL-2 BPMs utilize a new, compact four-plate design with grounding strips between plates to minimize crosstalk. In-situ measurements of these new BPMs are made using a stretched wire pulsedmore » with both proton and electron beam formats. In addition, longitudinal impedance measurements of the TEL-2 are presented. Signal processing algorithm studies indicate that the frequency-dependent transverse position offset may be reduced to {approx}0.1 mm for the beam structures of interest.« less

Bimetallic iron and cobalt incorporated MFI/MCM-41 composite and its catalytic properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Baoshan, E-mail: bsli@mail.buct.edu.cn; Xu, Junqing; Li, Xiao

2012-05-15

Graphical abstract: The formation of FeCo-MFI/MCM-41 composite is based on two steps, the first step of synthesizing the MFI-type proto-zeolite unites under hydrothermal conditions. The second step of assembling these zeolite fragment together new silica and heteroatom source on the CTAB surfactant micelle to synthesize the mesoporous product with hexagonal structure. Highlights: Black-Right-Pointing-Pointer Bimetallic iron and cobalt incorporated MFI/MCM-41 composite was prepared using templating method. Black-Right-Pointing-Pointer FeCo-MFI/MCM-41 composite simultaneously possessed two kinds of meso- and micro-porous structures. Black-Right-Pointing-Pointer Iron and cobalt ions incorporated into the silica framework with tetrahedral coordination. -- Abstract: The MFI/MCM-41 composite material with bimetallic Fe andmore » Co incorporation was prepared using templating method via a two-step hydrothermal crystallization procedure. The obtained products were characterized by a series of techniques including powder X-ray diffraction, N{sub 2} sorption, transmission electron microscopy, scanning electron microscope, H{sub 2} temperature programmed reduction, thermal analyses, and X-ray absorption fine structure spectroscopy of the Fe and Co K-edge. The catalytic properties of the products were investigated by residual oil hydrocracking reactions. Characterization results showed that the FeCo-MFI/MCM-41 composite simultaneously possessed two kinds of stable meso- and micro-porous structures. Iron and cobalt ions were incorporated into the silicon framework, which was confirmed by H{sub 2} temperature programmed reduction and X-ray absorption fine structure spectroscopy. This composite presented excellent activities in hydrocracking of residual oil, which was superior to the pure materials of silicate-1/MCM-41.« less

Diffusion in liquid Germanium using ab initio molecular dynamics

NASA Astrophysics Data System (ADS)

Kulkarni, R. V.; Aulbur, W. G.; Stroud, D.

1996-03-01

We describe the results of calculations of the self-diffusion constant of liquid Ge over a range of temperatures. The calculations are carried out using an ab initio molecular dynamics scheme which combines an LDA model for the electronic structure with the Bachelet-Hamann-Schlüter norm-conserving pseudopotentials^1. The energies associated with electronic degrees of freedom are minimized using the Williams-Soler algorithm, and ionic moves are carried out using the Verlet algorithm. We use an energy cutoff of 10 Ry, which is sufficient to give results for the lattice constant and bulk modulus of crystalline Ge to within 1% and 12% of experiment. The program output includes not only the self-diffusion constant but also the structure factor, electronic density of states, and low-frequency electrical conductivity. We will compare our results with other ab initio and semi-empirical calculations, and discuss extension to impurity diffusion. ^1 We use the ab initio molecular dynamics code fhi94md, developed at 1cm the Fritz-Haber Institute, Berlin. ^2 Work supported by NASA, Grant NAG3-1437.

Molecular structure and spectroscopic characterization of Carbamazepine with experimental techniques and DFT quantum chemical calculations

NASA Astrophysics Data System (ADS)

Suhasini, M.; Sailatha, E.; Gunasekaran, S.; Ramkumaar, G. R.

2015-04-01

A systematic vibrational spectroscopic assignment and analysis of Carbamazepine has been carried out by using FT-IR, FT-Raman and UV spectral data. The vibrational analysis were aided by electronic structure calculations - ab initio (RHF) and hybrid density functional methods (B3LYP) performed with standard basis set 6-31G(d,p). Molecular equilibrium geometries, electronic energies, natural bond order analysis, harmonic vibrational frequencies and IR intensities have been computed. A detailed interpretation of the vibrational spectra of the molecule has been made on the basis of the calculated Potential Energy Distribution (PED) by VEDA program. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO and LUMO energies and λmax were determined by HF/6-311++G(d,p) Time-Dependent method. The thermodynamic functions of the title molecule were also performed using the RHF and DFT methods. The restricted Hartree-Fock and density functional theory-based nuclear magnetic resonance (NMR) calculation procedure was also performed, and it was used for assigning the 13C and 1H NMR chemical shifts of Carbamazepine.

FT-Raman, FT-IR and UV-visible spectral investigations and ab initio computations of anti-epileptic drug: Vigabatrin

NASA Astrophysics Data System (ADS)

Edwin, Bismi; Joe, I. Hubert

2013-10-01

Vibrational analysis of anti-epileptic drug vigabatrin, a structural GABA analog was carried out using NIR FT-Raman and FTIR spectroscopic techniques. The equilibrium geometry, various bonding features and harmonic vibrational wavenumbers were studied using density functional theory method. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA.4 program. Vibrational spectra, natural bond orbital analysis and optimized molecular structure show clear evidence for the effect of electron charge transfer on the activity of the molecule. Predicted electronic absorption spectrum from TD-DFT calculation has been compared with the UV-vis spectrum. The Mulliken population analysis on atomic charges and the HOMO-LUMO energy were also calculated. Good consistency is found between the calculated results and experimental data for the electronic absorption as well as IR and Raman spectra. The blue-shifting of the Csbnd C stretching wavenumber reveals that the vinyl group is actively involved in the conjugation path. The NBO analysis confirms the occurrence of intramolecular hyperconjugative interactions resulting in ICT causing stabilization of the system.

A Density Functional Theory Study of Codoping Characteristics of Sulfur with Alkaline Earth in Delafossite CuAlO2

NASA Astrophysics Data System (ADS)

Liu, Qi-Jun; Qin, Han; Liu, Zheng-Tang

2016-04-01

The structural, electronic properties and formation energies of sulfur and alkaline earth codoped delafossite CuAlO2 have been investigated using the first-principles density functional theory calculations. Our results reveal that the volume of codoping systems increases with the increasing atomic radius of metal atoms. The formation energies under different growth conditions have been calculated, showing that the codoping systems are formed easily under O-rich growth conditions. Electronic band structures and density of states have been obtained. The decreased bandgaps, enhanced covalence and appearance of electron acceptors after codoping are all good for p-type conductivity. Supported by the National Natural Science Foundation of China under Grant Nos. 11347199, 51402244, and 11547311, the Specialized Research Fund for Doctoral Program of Higher Education of China under Grant No. 20130184120028, the Fundamental Research Fund for the Central Universities, China under Grant Nos. 2682014CX084, 2682014ZT30, and 2682014ZT31, and the fund of the State Key Laboratory of Solidification Processing in NWPU under Grant No. SKLSP201511

Housing Characteristics: 2015 RECS Survey Data

EIA Publications

2017-01-01

The housing characteristics data tables from the 2015 RECS include: fuels used and end uses; structural and geographic characteristics; space heating; lighting; appliances; electronics; air conditioning; water heating; and household demographics. EIA’s 2015 RECS Household Survey captured more than 200 energy-related items from more than 5,600 households. The 2015 RECS is the 14th iteration of the program, which has been conducted periodically since 1978.

Complementary Metal-Oxide-Silicon (CMOS)-Memristor Hybrid Nanoelectronics for Advanced Encryption Standard (AES) Encryption

DTIC Science & Technology

2016-04-01

with Al top electrodes and Cu bottom electrodes. ................... 9 Figure 4. SPICE netlist structure...memory elements play a part in logic gate. 4.4.2 Simulation SPICE Simulation Program for Integrated Circuits Emphasis ( SPICE ) is a general-purpose...analog circuit simulator that was developed at the Electronics Research Laboratory of the University of California, Berkeley [6]. In 1975, SPICE

Undergraduate optics program for the 21st Century

NASA Astrophysics Data System (ADS)

Palmer, James M.

2002-05-01

We have been offering a successful BS degree in optical engineering for the past ten years. We have produced more than 100 graduates, highly trained in basic optics and electronics. Our Industrial Affiliates, while very pleased with our graduates, requested that we produce some with greater mechanical engineering skills and knowledge. Our response was the creation of a new degree program, retaining the virtues of the previous one, but allowing a high degree of flexibility through the inclusion of minors within the program. The new program allows sufficient room for a variety of minors. Engineering minors identified include aerospace, computer, electrical, materials and mechanical. Science minors include astronomy, computer science, math and physics. Non-science minors accommodated include business, pre-health and pre-law. The new BSO program features: (1) Better structure and flow, more tightly coupling related classes; (2) New laboratory classes for juniors, linked to lecture classes; (3) Expanded optical deign, fabrication and testing classes; (4) New class in electronics for optics; (5) New classes in fiber optics and optical communications; (6) New capstone/senior project class for ABET compliance. This new BSO program will produce better entry-level optical scientists and engineers, and better candidates for graduate school. Our interactions with the external community will provide inputs concerning industrial needs, leading towards improved student counseling and program development. We will better serve national needs for skilled personnel in optics, and contribute even more to the optics workforce pipeline.

Sensitivity of ab Initio vs Empirical Methods in Computing Structural Effects on NMR Chemical Shifts for the Example of Peptides.

PubMed

Sumowski, Chris Vanessa; Hanni, Matti; Schweizer, Sabine; Ochsenfeld, Christian

2014-01-14

The structural sensitivity of NMR chemical shifts as computed by quantum chemical methods is compared to a variety of empirical approaches for the example of a prototypical peptide, the 38-residue kaliotoxin KTX comprising 573 atoms. Despite the simplicity of empirical chemical shift prediction programs, the agreement with experimental results is rather good, underlining their usefulness. However, we show in our present work that they are highly insensitive to structural changes, which renders their use for validating predicted structures questionable. In contrast, quantum chemical methods show the expected high sensitivity to structural and electronic changes. This appears to be independent of the quantum chemical approach or the inclusion of solvent effects. For the latter, explicit solvent simulations with increasing number of snapshots were performed for two conformers of an eight amino acid sequence. In conclusion, the empirical approaches neither provide the expected magnitude nor the patterns of NMR chemical shifts determined by the clearly more costly ab initio methods upon structural changes. This restricts the use of empirical prediction programs in studies where peptide and protein structures are utilized for the NMR chemical shift evaluation such as in NMR refinement processes, structural model verifications, or calculations of NMR nuclear spin relaxation rates.

DAMQT: A package for the analysis of electron density in molecules

NASA Astrophysics Data System (ADS)

López, Rafael; Rico, Jaime Fernández; Ramírez, Guillermo; Ema, Ignacio; Zorrilla, David

2009-09-01

DAMQT is a package for the analysis of the electron density in molecules and the fast computation of the density, density deformations, electrostatic potential and field, and Hellmann-Feynman forces. The method is based on the partition of the electron density into atomic fragments by means of a least deformation criterion. Each atomic fragment of the density is expanded in regular spherical harmonics times radial factors, which are piecewise represented in terms of analytical functions. This representation is used for the fast evaluation of the electrostatic potential and field generated by the electron density and nuclei, as well as for the computation of the Hellmann-Feynman forces on the nuclei. An analysis of the atomic and molecular deformations of the density can be also carried out, yielding a picture that connects with several concepts of the empirical structural chemistry. Program summaryProgram title: DAMQT1.0 Catalogue identifier: AEDL_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEDL_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPLv3 No. of lines in distributed program, including test data, etc.: 278 356 No. of bytes in distributed program, including test data, etc.: 31 065 317 Distribution format: tar.gz Programming language: Fortran90 and C++ Computer: Any Operating system: Linux, Windows (Xp, Vista) RAM: 190 Mbytes Classification: 16.1 External routines: Trolltech's Qt (4.3 or higher) ( http://www.qtsoftware.com/products), OpenGL (1.1 or higher) ( http://www.opengl.org/), GLUT 3.7 ( http://www.opengl.org/resources/libraries/glut/). Nature of problem: Analysis of the molecular electron density and density deformations, including fast evaluation of electrostatic potential, electric field and Hellmann-Feynman forces on nuclei. Solution method: The method of Deformed Atoms in Molecules, reported elsewhere [1], is used for partitioning the molecular electron density into atomic fragments, which are further expanded in spherical harmonics times radial factors. The partition is used for defining molecular density deformations and for the fast calculation of several properties associated to density. Restrictions: The current version is limited to 120 atoms, 2000 contracted functions, and l=5 in basis functions. Density must come from a LCAO calculation (any level) with spherical (not Cartesian) Gaussian functions. Unusual features: The program contains an OPEN statement to binary files (stream) in file GOPENMOL.F90. This statement has not a standard syntax in Fortran 90. Two possibilities are considered in conditional compilation: Intel's ifort and Fortran2003 standard. This latter is applied to compilers other than ifort (gfortran uses this one, for instance). Additional comments: The distribution file for this program is over 30 Mbytes and therefore is not delivered directly when download or e-mail is requested. Instead a html file giving details of how the program can be obtained is sent. Running time: Largely dependent on the system size and the module run (from fractions of a second to hours). References: [1] J. Fernández Rico, R. López, I. Ema, G. Ramírez, J. Mol. Struct. (Theochem) 727 (2005) 115.

Very high speed integrated circuits - Into the second generation. V - The issues of standardization and technology insertion

NASA Astrophysics Data System (ADS)

Martin, J.

1982-04-01

It is shown that the fulfillment of very high speed integrated circuit (VHSIC) device development goals entails the restructuring of military electronics acquisition policy, standardization which produces the maximum number of systems and subsystems by means of the minimum number of flexible, broad-purpose, high-power semiconductors, and especially the standardization of bus structures incorporating a priorization system. It is expected that the Design Specification Handbook currently under preparation by the VHSIC program office of the DOD will make the design of such systems a task whose complexity is comparable to that of present integrated circuit electronics.

Kinematical simulation of robotic complex operation for implementing full-scale additive technologies of high-end materials, composites, structures, and buildings

NASA Astrophysics Data System (ADS)

Antsiferov, S. I.; Eltsov, M. Iu; Khakhalev, P. A.

2018-03-01

This paper considers a newly designed electronic digital model of a robotic complex for implementing full-scale additive technologies, funded under a Federal Target Program. The electronic and digital model was used to solve the problem of simulating the movement of a robotic complex using the NX CAD/CAM/CAE system. The virtual mechanism was built and the main assemblies, joints, and drives were identified as part of solving the problem. In addition, the maximum allowed printable area size was identified for the robotic complex, and a simulation of printing a rectangular-shaped article was carried out.

Molecular dynamics simulations give insight into the conformational change, complex formation, and electron transfer pathway for cytochrome P450 reductase

PubMed Central

Sündermann, Axel; Oostenbrink, Chris

2013-01-01

Cytochrome P450 reductase (CYPOR) undergoes a large conformational change to allow for an electron transfer to a redox partner to take place. After an internal electron transfer over its cofactors, it opens up to facilitate the interaction and electron transfer with a cytochrome P450. The open conformation appears difficult to crystallize. Therefore, a model of a human CYPOR in the open conformation was constructed to be able to investigate the stability and conformational change of this protein by means of molecular dynamics simulations. Since the role of the protein is to provide electrons to a redox partner, the interactions with cytochrome P450 2D6 (2D6) were investigated and a possible complex structure is suggested. Additionally, electron pathway calculations with a newly written program were performed to investigate which amino acids relay the electrons from the FMN cofactor of CYPOR to the HEME of 2D6. Several possible interacting amino acids in the complex, as well as a possible electron transfer pathway were identified and open the way for further investigation by site directed mutagenesis studies. PMID:23832577

A minimal model for the structural energetics of VO2

NASA Astrophysics Data System (ADS)

Kim, Chanul; Marianetti, Chris; The Marianetti Group Team

Resolving the structural, magnetic, and electronic structure of VO2 from the first-principles of quantum mechanics is still a forefront problem despite decades of attention. Hybrid functionals have been shown to qualitatively ruin the structural energetics. While density functional theory (DFT) combined with cluster extensions of dynamical mean-field theory (DMFT) have demonstrated promising results in terms of the electronic properties, structural phase stability has not yet been addressed. In order to capture the basic physics of the structural transition, we propose a minimal model of VO2 based on the one dimensional Peierls-Hubbard model and parameterize this based on DFT calculations of VO2. The total energy versus dimerization in the minimal mode is then solved numerically exactly using density matrix renormalization group (DMRG) and compared to the Hartree-Fock solution. We demonstrate that the Hartree-Fock solution exhibits the same pathologies as DFT+U, and spin density functional theory for that matter, while the DMRG solution is consistent with experimental observation. Our results demonstrate the critical role of non-locality in the total energy, and this will need to be accounted for to obtain a complete description of VO2 from first-principles. The authors acknowledge support from FAME, one of six centers of STARnet, a Semiconductor Research Corporation program sponsored by MARCO and DARPA.

76 FR 49753 - Privacy Act of 1974; System of Records

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-11

... Defense. DHA 14 System name: Computer/Electronics Accommodations Program for People with Disabilities... with ``Computer/Electronic Accommodations Program.'' System location: Delete entry and replace with ``Computer/Electronic Accommodations Program, Skyline 5, Suite 302, 5111 Leesburg Pike, Falls Church, VA...

Autotronics. Florida Vocational Program Guide.

ERIC Educational Resources Information Center

University of South Florida, Tampa. Dept. of Adult and Vocational Education.

The program guide for autotronics (electronics mechanic) courses in Florida identifies primary considerations for the organization, operation, and evaluation of a vocational education program. Following an occupational description for the job title for electronics mechanic (including communication technician and electronics technician), and its…

Methods for freeform fabrication of structures

DOEpatents

Kaufman, Stephen G.; Spletzer, Barry L.

2000-01-01

Rapid prototyping methods and apparatuses that produce structures made of continuous-fiber polymer-matrix composites without the use of molds. Instead of using molds, the composite structure is fabricated patch by patch in layers or wraps, using a two- or three-axis stage connected to a rapidly-reconfigurable forming surface, and a robot arm to position the evolving composite structure, which are both programmable devices. Because programmable devices are included, i.e., a robot and a two- or three-axis stage connected to the reconfigurable forming surface, the control program needed to produce a desired shape can be easily modified to automatically generate the desired shape from an electronic model (e.g., using a CAD/CAM system) of the desired (predetermined) shape.

The impact of shearing flows on electroactive biofilm formation, structure, and current generation

NASA Astrophysics Data System (ADS)

Jones, A.-Andrew; Buie, Cullen

2016-11-01

A special class of bacteria exist that directly produce electricity. First explored in 1911, these electroactive bacteria catalyze hydrocarbons and transport electrons directly to a metallic electron acceptor forming thicker biofilms than other species. Electroactive bacteria biofilms are thicker because they are not limited by transport of oxygen or other terminal electron acceptors. Electroactive bacteria can produce power in fuel cells. Power production is limited in fuel cells by the bacteria's inability to eliminate protons near the insoluble electron acceptor not utilized in the wild. To date, they have not been successfully evolved or engineered to overcome this limit. This limitation may be overcome by enhancing convective mass transport while maintaining substantial biomass within the biofilm. Increasing convective mass transport increases shear stress. A biofilm may respond to increased shear by changing biomass, matrix, or current production. In this study, a rotating disk electrode is used to separate nutrient from physical stress. This phenomenon is investigated using the model electroactive bacterium Geobacter sulfurreducens at nutrient loads comparable to flow-through microbial fuel cells. We determine biofilm structure experimentally by measuring the porosity and calculating the tortuosity from confocal microscope images. Biofilm adaptation for electron transport is quantified using electrical impedance spectroscopy. Our ultimate objective is a framework relating biofilm thickness, porosity, shear stress and current generation for the optimization of bioelectrochemical systems The Alfred P Sloan Foundation MPHD Program.

A pipeline for comprehensive and automated processing of electron diffraction data in IPLT.

PubMed

Schenk, Andreas D; Philippsen, Ansgar; Engel, Andreas; Walz, Thomas

2013-05-01

Electron crystallography of two-dimensional crystals allows the structural study of membrane proteins in their native environment, the lipid bilayer. Determining the structure of a membrane protein at near-atomic resolution by electron crystallography remains, however, a very labor-intense and time-consuming task. To simplify and accelerate the data processing aspect of electron crystallography, we implemented a pipeline for the processing of electron diffraction data using the Image Processing Library and Toolbox (IPLT), which provides a modular, flexible, integrated, and extendable cross-platform, open-source framework for image processing. The diffraction data processing pipeline is organized as several independent modules implemented in Python. The modules can be accessed either from a graphical user interface or through a command line interface, thus meeting the needs of both novice and expert users. The low-level image processing algorithms are implemented in C++ to achieve optimal processing performance, and their interface is exported to Python using a wrapper. For enhanced performance, the Python processing modules are complemented with a central data managing facility that provides a caching infrastructure. The validity of our data processing algorithms was verified by processing a set of aquaporin-0 diffraction patterns with the IPLT pipeline and comparing the resulting merged data set with that obtained by processing the same diffraction patterns with the classical set of MRC programs. Copyright © 2013 Elsevier Inc. All rights reserved.

A pipeline for comprehensive and automated processing of electron diffraction data in IPLT

PubMed Central

Schenk, Andreas D.; Philippsen, Ansgar; Engel, Andreas; Walz, Thomas

2013-01-01

Electron crystallography of two-dimensional crystals allows the structural study of membrane proteins in their native environment, the lipid bilayer. Determining the structure of a membrane protein at near-atomic resolution by electron crystallography remains, however, a very labor-intense and time-consuming task. To simplify and accelerate the data processing aspect of electron crystallography, we implemented a pipeline for the processing of electron diffraction data using the Image Processing Library & Toolbox (IPLT), which provides a modular, flexible, integrated, and extendable cross-platform, open-source framework for image processing. The diffraction data processing pipeline is organized as several independent modules implemented in Python. The modules can be accessed either from a graphical user interface or through a command line interface, thus meeting the needs of both novice and expert users. The low-level image processing algorithms are implemented in C++ to achieve optimal processing performance, and their interface is exported to Python using a wrapper. For enhanced performance, the Python processing modules are complemented with a central data managing facility that provides a caching infrastructure. The validity of our data processing algorithms was verified by processing a set of aquaporin-0 diffraction patterns with the IPLT pipeline and comparing the resulting merged data set with that obtained by processing the same diffraction patterns with the classical set of MRC programs. PMID:23500887

Electronic properties of semiconductor-water interfaces: Predictions from ab-initio molecular dynamics and many-body perturbation theory

NASA Astrophysics Data System (ADS)

Pham, Tuan Anh

2015-03-01

Photoelectrochemical cells offer a promising avenue for hydrogen production from water and sunlight. The efficiency of these devices depends on the electronic structure of the interface between the photoelectrode and liquid water, including the alignment between the semiconductor band edges and the water redox potential. In this talk, we will present the results of first principles calculations of semiconductor-water interfaces that are obtained with a combination of density functional theory (DFT)-based molecular dynamics simulations and many-body perturbation theory (MBPT). First, we will discuss the development of an MBPT approach that is aimed at improving the efficiency and accuracy of existing methodologies while still being applicable to complex heterogeneous interfaces consisting of hundreds of atoms. We will then present studies of the electronic structure of liquid water and aqueous solutions using MBPT, which represent an essential step in establishing a quantitative framework for computing the energy alignment at semiconductor-water interfaces. Finally, using a combination of DFT-based molecular dynamics simulations and MBPT, we will describe the relationship between interfacial structure, electronic properties of semiconductors and their reactivity in aqueous solutions through a number of examples, including functionalized Si surfaces and GaP/InP surfaces in contact with liquid water. T.A.P was supported by the U.S. Department of Energy at the Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and by the Lawrence Fellowship Program.

SPARX, a new environment for Cryo-EM image processing.

PubMed

Hohn, Michael; Tang, Grant; Goodyear, Grant; Baldwin, P R; Huang, Zhong; Penczek, Pawel A; Yang, Chao; Glaeser, Robert M; Adams, Paul D; Ludtke, Steven J

2007-01-01

SPARX (single particle analysis for resolution extension) is a new image processing environment with a particular emphasis on transmission electron microscopy (TEM) structure determination. It includes a graphical user interface that provides a complete graphical programming environment with a novel data/process-flow infrastructure, an extensive library of Python scripts that perform specific TEM-related computational tasks, and a core library of fundamental C++ image processing functions. In addition, SPARX relies on the EMAN2 library and cctbx, the open-source computational crystallography library from PHENIX. The design of the system is such that future inclusion of other image processing libraries is a straightforward task. The SPARX infrastructure intelligently handles retention of intermediate values, even those inside programming structures such as loops and function calls. SPARX and all dependencies are free for academic use and available with complete source.

ESR Experiments on a Single Donor Electron in Isotopically Enriched Silicon

NASA Astrophysics Data System (ADS)

Tracy, Lisa; Luhman, Dwight; Carr, Stephen; Borchardt, John; Bishop, Nathaniel; Ten Eyck, Gregory; Pluym, Tammy; Wendt, Joel; Witzel, Wayne; Blume-Kohout, Robin; Nielsen, Erik; Lilly, Michael; Carroll, Malcolm

In this talk we will discuss electron spin resonance experiments in single donor silicon qubit devices fabricated at Sandia National Labs. A self-aligned device structure consisting of a polysilicon gate SET located adjacent to the donor is used for donor electron spin readout. Using a cryogenic HEMT amplifier next to the silicon device, we demonstrate spin readout at 100 kHz bandwidth and Rabi oscillations with 0.96 visibility. Electron spin resonance measurements on these devices show a linewidth of 30 kHz and coherence times T2* = 10 us and T2 = 0.3 ms. We also discuss estimates of the fidelity of our donor electron spin qubit measurements using gate set tomography. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. DOE Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the U. S. Department of Energy under Contract No. DE-AC04-94AL85000. ESR Experiments on a Single Donor Electron in Isotopically Enriched Silicon.

NASA EEE Parts and NASA Electronic Parts and Packaging (NEPP) Program Update 2018

NASA Technical Reports Server (NTRS)

Label, Kenneth A.; Sampson, Michael J.; Pellish, Jonathan A.; Majewicz, Peter J.

2018-01-01

NASA Electronic Parts and Packaging (NEPP) Program and NASA Electronic Parts Assurance Group (NEPAG) are NASAs point-of-contacts for reliability and radiation tolerance of EEE parts and their packages. This presentation includes an FY18 program overview.

Multi-junction Thin-film Solar Cells on Flexible Substrates for Space Power

NASA Technical Reports Server (NTRS)

Hepp, Aloysius F.; Smith, Mark; Scofield, John H.; Dickman, John E.; Lush, Gregory B.; Morel, Donald L.; Ferekides, Christos; Dhere, Neelkanth G.

2002-01-01

The ultimate objective of the thin-film program at NASA GRC is development of a 20 percent AM0 thin-film device technology with high power/weight ratio. Several approaches are outlined to improve overall device efficiency and power/weight ratio. One approach involves the use of very lightweight flexible substrates such as polyimides (i.e., Kapton(Trademark)) or metal foil. Also, a compound semiconductor tandem device structure that can meet this objective is proposed and simulated using Analysis of Microelectronic and Photonic Structures (AMPS). AMPS modeling of current devices in tandem format indicate that AM0 efficiencies near 20 percent can be achieved. And with improvements in materials, efficiencies approaching 25 percent are achievable. Several important technical issues need to be resolved to realize these complex devices: development of a wide bandgap material with good electronic properties, development of transparent contacts, and targeting a 2-terminal device structure (with more complicated processing and tunnel junction) or 4-terminal device. Recent progress in the NASA GRC program is outlined.

A unified approach for composite cost reporting and prediction in the ACT program

NASA Technical Reports Server (NTRS)

Freeman, W. Tom; Vosteen, Louis F.; Siddiqi, Shahid

1991-01-01

The Structures Technology Program Office (STPO) at NASA Langley Research Center has held two workshops with representatives from the commercial airframe companies to establish a plan for development of a standard cost reporting format and a cost prediction tool for conceptual and preliminary designers. This paper reviews the findings of the workshop representatives with a plan for implementation of their recommendations. The recommendations of the cost tracking and reporting committee will be implemented by reinstituting the collection of composite part fabrication data in a format similar to the DoD/NASA Structural Composites Fabrication Guide. The process of data collection will be automated by taking advantage of current technology with user friendly computer interfaces and electronic data transmission. Development of a conceptual and preliminary designers' cost prediction model will be initiated. The model will provide a technically sound method for evaluating the relative cost of different composite structural designs, fabrication processes, and assembly methods that can be compared to equivalent metallic parts or assemblies. The feasibility of developing cost prediction software in a modular form for interfacing with state of the art preliminary design tools and computer aided design (CAD) programs is assessed.

Novel cell-biological ideas deducible from morphological observations on "dark" neurons revisited.

PubMed

Gallyas, Ferenc

2007-05-30

The origin, nature and fate of "dark" (dramatically shrunken and hyperbasophilic) neurons are century-old problems in both human and experimental neuropathology. Until a few years ago, hardly any cell-biological conclusion had been drawn from their histological investigation. On the basis of light and electron microscopic findings in animal experiments performed during the past few years, my research team has put forward novel ideas concerning 1. the nature of "dark" neurons (malfunction of an energy-storing gel-structure that is ubiquitously present in all intracellular spaces between the ultrastructural elements), 2. the mechanism of their formation (non-programmed initiation of a whole-cell phase-transition in this gel-structure), 3. their capability of recovery (programmed for some physiological purpose), 4. their death mode (neither necrotic nor apoptotic), and 5. their relationship with the apoptotic cell death (the gel structure in question is programmed for the morphological execution of ontogenetic apoptosis). Based on morphological observations, this paper revisits these ideas in order to bring them to the attention of researchers who are in a position to investigate their validity by means of experimental paradigms other than those used here.

Katherine E. Weimer Award: X-ray light sources from laser-plasma and laser-electron interaction: development and applications

NASA Astrophysics Data System (ADS)

Albert, Felicie

2017-10-01

Bright sources of x-rays, such as synchrotrons and x-ray free electron lasers (XFEL) are transformational tools for many fields of science. They are used for biology, material science, medicine, or industry. Such sources rely on conventional particle accelerators, where electrons are accelerated to gigaelectronvolts (GeV) energies. The accelerated particles are wiggled in magnetic structures to emit x-ray radiation that is commonly used for molecular crystallography, fluorescence studies, chemical analysis, medical imaging, and many other applications. One of the drawbacks of these machines is their size and cost, because electric field gradients are limited to about 100 V/M in conventional accelerators. Particle acceleration in laser-driven plasmas is an alternative to generate x-rays via betatron emission, Compton scattering, or bremsstrahlung. A plasma can sustain electrical fields many orders of magnitude higher than that in conventional radiofrequency accelerator structures. When short, intense laser pulses are focused into a gas, it produces electron plasma waves in which electrons can be trapped and accelerated to GeV energies. X-ray sources, driven by electrons from laser-wakefield acceleration, have unique properties that are analogous to synchrotron radiation, with a 1000-fold shorter pulse. An important use of x-rays from laser plasma accelerators is in High Energy Density (HED) science, which requires laser and XFEL facilities to create in the laboratory extreme conditions of temperatures and pressures that are usually found in the interiors of stars and planets. To diagnose such extreme states of matter, the development of efficient, versatile and fast (sub-picosecond scale) x-ray probes has become essential. In these experiments, x-ray photons can pass through dense material, and absorption of the x-rays can be directly measured, via spectroscopy or imaging, to inform scientists about the temperature and density of the targets being studied. Performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344, supported by the LLNL LDRD program (16ERD024), and by the DOE Office Science Early Career Research Program (SCW1575).

40 CFR 233.39 - Electronic reporting.

Code of Federal Regulations, 2014 CFR

2014-07-01

... 40 Protection of Environment 25 2014-07-01 2014-07-01 false Electronic reporting. 233.39 Section... PROGRAM REGULATIONS Program Operation § 233.39 Electronic reporting. States that choose to receive electronic documents must satisfy the requirements of 40 CFR Part 3—(Electronic reporting) in their state...

40 CFR 233.39 - Electronic reporting.

Code of Federal Regulations, 2012 CFR

2012-07-01

... 40 Protection of Environment 26 2012-07-01 2011-07-01 true Electronic reporting. 233.39 Section... PROGRAM REGULATIONS Program Operation § 233.39 Electronic reporting. States that choose to receive electronic documents must satisfy the requirements of 40 CFR Part 3—(Electronic reporting) in their state...

40 CFR 233.39 - Electronic reporting.

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 24 2010-07-01 2010-07-01 false Electronic reporting. 233.39 Section... PROGRAM REGULATIONS Program Operation § 233.39 Electronic reporting. States that choose to receive electronic documents must satisfy the requirements of 40 CFR Part 3—(Electronic reporting) in their state...

40 CFR 233.39 - Electronic reporting.

Code of Federal Regulations, 2011 CFR

2011-07-01

... 40 Protection of Environment 25 2011-07-01 2011-07-01 false Electronic reporting. 233.39 Section... PROGRAM REGULATIONS Program Operation § 233.39 Electronic reporting. States that choose to receive electronic documents must satisfy the requirements of 40 CFR Part 3—(Electronic reporting) in their state...

40 CFR 233.39 - Electronic reporting.

Code of Federal Regulations, 2013 CFR

2013-07-01

... 40 Protection of Environment 26 2013-07-01 2013-07-01 false Electronic reporting. 233.39 Section... PROGRAM REGULATIONS Program Operation § 233.39 Electronic reporting. States that choose to receive electronic documents must satisfy the requirements of 40 CFR Part 3—(Electronic reporting) in their state...

Advanced interdisciplinary undergraduate program: light engineering

NASA Astrophysics Data System (ADS)

Bakholdin, Alexey; Bougrov, Vladislav; Voznesenskaya, Anna; Ezhova, Kseniia

2016-09-01

The undergraduate educational program "Light Engineering" of an advanced level of studies is focused on development of scientific learning outcomes and training of professionals, whose activities are in the interdisciplinary fields of Optical engineering and Technical physics. The program gives practical experience in transmission, reception, storage, processing and displaying information using opto-electronic devices, automation of optical systems design, computer image modeling, automated quality control and characterization of optical devices. The program is implemented in accordance with Educational standards of the ITMO University. The specific features of the Program is practice- and problem-based learning implemented by engaging students to perform research and projects, internships at the enterprises and in leading Russian and international research educational centers. The modular structure of the Program and a significant proportion of variable disciplines provide the concept of individual learning for each student. Learning outcomes of the program's graduates include theoretical knowledge and skills in natural science and core professional disciplines, deep knowledge of modern computer technologies, research expertise, design skills, optical and optoelectronic systems and devices.

Understanding the many-body expansion for large systems. I. Precision considerations

NASA Astrophysics Data System (ADS)

Richard, Ryan M.; Lao, Ka Un; Herbert, John M.

2014-07-01

Electronic structure methods based on low-order "n-body" expansions are an increasingly popular means to defeat the highly nonlinear scaling of ab initio quantum chemistry calculations, taking advantage of the inherently distributable nature of the numerous subsystem calculations. Here, we examine how the finite precision of these subsystem calculations manifests in applications to large systems, in this case, a sequence of water clusters ranging in size up to (H_2O)_{47}. Using two different computer implementations of the n-body expansion, one fully integrated into a quantum chemistry program and the other written as a separate driver routine for the same program, we examine the reproducibility of total binding energies as a function of cluster size. The combinatorial nature of the n-body expansion amplifies subtle differences between the two implementations, especially for n ⩾ 4, leading to total energies that differ by as much as several kcal/mol between two implementations of what is ostensibly the same method. This behavior can be understood based on a propagation-of-errors analysis applied to a closed-form expression for the n-body expansion, which is derived here for the first time. Discrepancies between the two implementations arise primarily from the Coulomb self-energy correction that is required when electrostatic embedding charges are implemented by means of an external driver program. For reliable results in large systems, our analysis suggests that script- or driver-based implementations should read binary output files from an electronic structure program, in full double precision, or better yet be fully integrated in a way that avoids the need to compute the aforementioned self-energy. Moreover, four-body and higher-order expansions may be too sensitive to numerical thresholds to be of practical use in large systems.

Understanding the many-body expansion for large systems. I. Precision considerations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Richard, Ryan M.; Lao, Ka Un; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu

2014-07-07

Electronic structure methods based on low-order “n-body” expansions are an increasingly popular means to defeat the highly nonlinear scaling of ab initio quantum chemistry calculations, taking advantage of the inherently distributable nature of the numerous subsystem calculations. Here, we examine how the finite precision of these subsystem calculations manifests in applications to large systems, in this case, a sequence of water clusters ranging in size up to (H{sub 2}O){sub 47}. Using two different computer implementations of the n-body expansion, one fully integrated into a quantum chemistry program and the other written as a separate driver routine for the same program,more » we examine the reproducibility of total binding energies as a function of cluster size. The combinatorial nature of the n-body expansion amplifies subtle differences between the two implementations, especially for n ⩾ 4, leading to total energies that differ by as much as several kcal/mol between two implementations of what is ostensibly the same method. This behavior can be understood based on a propagation-of-errors analysis applied to a closed-form expression for the n-body expansion, which is derived here for the first time. Discrepancies between the two implementations arise primarily from the Coulomb self-energy correction that is required when electrostatic embedding charges are implemented by means of an external driver program. For reliable results in large systems, our analysis suggests that script- or driver-based implementations should read binary output files from an electronic structure program, in full double precision, or better yet be fully integrated in a way that avoids the need to compute the aforementioned self-energy. Moreover, four-body and higher-order expansions may be too sensitive to numerical thresholds to be of practical use in large systems.« less

Optics and materials research for controlled radiant energy transfer in buildings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goldner, R.B.

1983-11-01

The overall objective of the Tufts research program was to identify and attempt to solve some of the key materials problems associated with practical approaches for achieving controlled radiant energy transfer (CRET) through building windows and envelopes, so as to decrease heating and cooling loads in buildings. Major accomplishments included: the identification of electrochromic (EC)-based structures as the preferred structures for achieving CRET the identification of modulated reflectivity as the preferred mode of operation for EC-based structures demonstration of the feasibility of operating EC-materials in a modulated R(lambda) mode and demonstration of the applicability of free electron model to coloredmore » polycrystalline WO3 films.« less

Electron beam diagnostic system using computed tomography and an annular sensor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Elmer, John W.; Teruya, Alan T.

2015-08-11

A system for analyzing an electron beam including a circular electron beam diagnostic sensor adapted to receive the electron beam, the circular electron beam diagnostic sensor having a central axis; an annular sensor structure operatively connected to the circular electron beam diagnostic sensor, wherein the sensor structure receives the electron beam; a system for sweeping the electron beam radially outward from the central axis of the circular electron beam diagnostic sensor to the annular sensor structure wherein the electron beam is intercepted by the annular sensor structure; and a device for measuring the electron beam that is intercepted by themore » annular sensor structure.« less

Electron beam diagnostic system using computed tomography and an annular sensor

DOEpatents

Elmer, John W.; Teruya, Alan T.

2014-07-29

A system for analyzing an electron beam including a circular electron beam diagnostic sensor adapted to receive the electron beam, the circular electron beam diagnostic sensor having a central axis; an annular sensor structure operatively connected to the circular electron beam diagnostic sensor, wherein the sensor structure receives the electron beam; a system for sweeping the electron beam radially outward from the central axis of the circular electron beam diagnostic sensor to the annular sensor structure wherein the electron beam is intercepted by the annular sensor structure; and a device for measuring the electron beam that is intercepted by the annular sensor structure.

The opportunities for and challenges of common integrated electronics

NASA Astrophysics Data System (ADS)

Nelson, J. R.; Retterer, Bernard L.; Cloud, Harley A.

1994-02-01

This document summarizes a portion of IDA's work concerning common integrated electronics and the potential cost savings of using common electronic hardware and software. It addresses trends in avionics costs and recent experiences in applying common electronic standards to weapon programs as a way to reduce costs. The following essential elements of a program to acquire common integrated electronics are explored: (1) integrated system architecture; (2) advanced technology programs; (3) open system standards; (4) standard common modules; and (5) associated management and policies. The principal recommendation is that OSD support and coordinate such a-program by taking a strong leadership role and setting standards policy.

NASA STI Program Seminar: Electronic documents

NASA Technical Reports Server (NTRS)

1994-01-01

The theme of this NASA Scientific and Technical Information Program Seminar was electronic documents. Topics covered included Electronic Documents Management at the CASI, the Impact of Electronic Publishing on User Expectations and Searching Image Record Management, Secondary Publisher Considerations for Electronic Journal Literature, and the Technical Manual Publishing On Demand System (TMPODS).

A systematic review of integrative oncology programs

PubMed Central

Seely, D.M.; Weeks, L.C.; Young, S.

2012-01-01

Objective This systematic review set out to summarize the research literature describing integrative oncology programs. Methods Searches were conducted of 9 electronic databases, relevant journals (hand searched), and conference abstracts, and experts were contacted. Two investigators independently screened titles and abstracts for reports describing examples of programs that combine complementary and conventional cancer care. English-, French-, and German-language articles were included, with no date restriction. From the articles located, descriptive data were extracted according to 6 concepts: description of article, description of clinic, components of care, administrative structure, process of care, and measurable outcomes used. Results Of the 29 programs included, most were situated in the United States (n = 12, 41%) and England (n = 10, 34%). More than half (n = 16, 55%) operate within a hospital, and 7 (24%) are community-based. Clients come through patient self-referral (n = 15, 52%) and by referral from conventional health care providers (n = 9, 31%) and from cancer agencies (n = 7, 24%). In 12 programs (41%), conventional care is provided onsite; 7 programs (24%) collaborate with conventional centres to provide integrative care. Programs are supported financially through donations (n = 10, 34%), cancer agencies or hospitals (n = 7, 24%), private foundations (n = 6, 21%), and public funds (n = 3, 10%). Nearly two thirds of the programs maintain a research (n = 18, 62%) or evaluation (n = 15, 52%) program. Conclusions The research literature documents a growing number of integrative oncology programs. These programs share a common vision to provide whole-person, patient-centred care, but each program is unique in terms of its structure and operational model. PMID:23300368

Component-Level Electronic-Assembly Repair (CLEAR) Operational Concept

NASA Technical Reports Server (NTRS)

Oeftering, Richard C.; Bradish, Martin A.; Juergens, Jeffrey R.; Lewis, Michael J.; Vrnak, Daniel R.

2011-01-01

This Component-Level Electronic-Assembly Repair (CLEAR) Operational Concept document was developed as a first step in developing the Component-Level Electronic-Assembly Repair (CLEAR) System Architecture (NASA/TM-2011-216956). The CLEAR operational concept defines how the system will be used by the Constellation Program and what needs it meets. The document creates scenarios for major elements of the CLEAR architecture. These scenarios are generic enough to apply to near-Earth, Moon, and Mars missions. The CLEAR operational concept involves basic assumptions about the overall program architecture and interactions with the CLEAR system architecture. The assumptions include spacecraft and operational constraints for near-Earth orbit, Moon, and Mars missions. This document addresses an incremental development strategy where capabilities evolve over time, but it is structured to prevent obsolescence. The approach minimizes flight hardware by exploiting Internet-like telecommunications that enables CLEAR capabilities to remain on Earth and to be uplinked as needed. To minimize crew time and operational cost, CLEAR exploits offline development and validation to support online teleoperations. Operational concept scenarios are developed for diagnostics, repair, and functional test operations. Many of the supporting functions defined in these operational scenarios are further defined as technologies in NASA/TM-2011-216956.

Electronic Router

NASA Technical Reports Server (NTRS)

Crusan, Jason

2005-01-01

Electronic Router (E-Router) is an application program for routing documents among the cognizant individuals in a government agency or other organization. E-Router supplants a prior 14 NASA Tech Briefs, May 2005 system in which paper documents were routed physically in packages by use of paper slips, packages could be lost, routing times were unacceptably long, tracking of packages was difficult, and there was a need for much photocopying. E-Router enables a user to create a digital package to be routed. Input accepted by E-Router includes the title of the package, the person(s) to whom the package is to be routed, attached files, and comments to reviewers. Electronic mail is used to notify reviewers of needed actions. The creator of the package can, at any time, see the status of the package in the routing structure. At the end of the routing process, E-Router keeps a record of the package and of approvals and/or concurrences of the reviewers. There are commercial programs that perform the general functions of E-Router, but they are more complicated. E-Router is Web-based, easy to use, and does not require the installation or use of client software.

Education policy implications from the Expert Panel on Electronic Media and Youth Violence.

PubMed

Worthen, Maria R

2007-12-01

The research from the Expert Panel on Electronic Media and Youth Violence makes a compelling case for why educators and education policymakers should care about the effects of media on youth behavior, and the growing phenomenon of Internet bullying and harassment. The ability of the U.S. education system to respond is limited not only by competing instructional priorities but also by the governance structure of the education system itself. The federal role is limited to a proportionally small amount of funding for states and schools, to raising public awareness, and to providing research and data. States can set priorities, make requirements, and direct funding. Districts and schools ultimately have the most control over prevention program selection and setting social and behavioral norms. Key implications of the panel's research for educators and education policymakers include: Internet bullying is correlated with school behavior problems; Internet bullying behavior may peak in middle school; Internet bullying shares common predictors with verbal and, to some extent, physical bullying; Media literacy programs may mitigate the negative effects of electronic media on youth. Specific recommendations based on these conclusions are discussed, and research priorities for the prevention and education fields are identified.

Joint Services Electronics Program.

DTIC Science & Technology

1986-01-01

89 IAooeston ? N1TIS GRA&If : i TC TAB 17 Distribuitioll/ Avatlabllity Codes_. iAv il and/or Dist Special . iii V’/-. *’V*. ’/ ’ 2 ...Similar structures were also studied by direct reflectance measurements at 2 K where the excitonic transitions are so strong that modu- lation is...separate investigation. single quantum wells of varying sizes were grown and studied [ 2 ]. The binding energies of acceptors were also determined. \\ore

Joint Services Electronics Program

DTIC Science & Technology

1991-07-01

Associates HgCdTe infrared detector for our earlier Ge:Cu detector . The samples studied were obtained from Professor J. Schetzina at North Carolina State...such delicate structures. Since such effects may well limit their utility in actual devices we have begun an investigation of noise processes in...superlattices 3 was initially motivated by practical interest in infrared detectors like HgTe/CdTe. The III-V superlattices (SLs) are being considered

Development of Markup Language for Medical Record Charting: A Charting Language.

PubMed

Jung, Won-Mo; Chae, Younbyoung; Jang, Bo-Hyoung

2015-01-01

Nowadays a lot of trials for collecting electronic medical records (EMRs) exist. However, structuring data format for EMR is an especially labour-intensive task for practitioners. Here we propose a new mark-up language for medical record charting (called Charting Language), which borrows useful properties from programming languages. Thus, with Charting Language, the text data described in dynamic situation can be easily used to extract information.

Structure and conformational dynamics of scaffolded DNA origami nanoparticles

DTIC Science & Technology

2017-05-08

all-atom molecular dynamics and coarse-grained finite element modeling to DX-based nanoparticles to elucidate their fine-scale and global conforma... finite element (FE) modeling approach CanDo is also routinely used to predict the 3D equilibrium conformation of programmed DNA assemblies based on a...model with both experimental cryo-electron microscopy (cryo-EM) data and all-atom modeling. MATERIALS AND METHODS Lattice-free finite element model

Model Development for Graphene Spintronics

DTIC Science & Technology

2015-09-21

structure near the dirac point. Scattering was evaluated in born approximation. Screening and transport were treated semi-classically...requested and granted by the cognizant office, and the program ran through 25 May 2015. Graphene is a promising material for electronic and spintronic...of an insulating material such as Al2O3, to enable efficient spin injection. The graphene layer is beneath the tunnel barrier, followed by SiO2 (on

A Novel Multi-Finger Gate Structure of AlGaN/GaN High Electron Mobility Transistor

NASA Astrophysics Data System (ADS)

Cui, Lei; Wang, Quan; Wang, Xiao-Liang; Xiao, Hong-Ling; Wang, Cui-Mei; Jiang, Li-Juan; Feng, Chun; Yin, Hai-Bo; Gong, Jia-Min; Li, Bai-Quan; Wang, Zhan-Guo

2015-05-01

Not Available Supported by the Knowledge Innovation Engineering of the Chinese Academy of Sciences under Grant No YYY-0701-02, the National Nature Science Foundation of China under Grant Nos 61106014, 61204017 and 61334002, the State Key Development Program for Basic Research of China under Grant No 2010CB327503, and the National Science and Technology Major Project of China.

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability.

PubMed

Parrish, Robert M; Burns, Lori A; Smith, Daniel G A; Simmonett, Andrew C; DePrince, A Eugene; Hohenstein, Edward G; Bozkaya, Uğur; Sokolov, Alexander Yu; Di Remigio, Roberto; Richard, Ryan M; Gonthier, Jérôme F; James, Andrew M; McAlexander, Harley R; Kumar, Ashutosh; Saitow, Masaaki; Wang, Xiao; Pritchard, Benjamin P; Verma, Prakash; Schaefer, Henry F; Patkowski, Konrad; King, Rollin A; Valeev, Edward F; Evangelista, Francesco A; Turney, Justin M; Crawford, T Daniel; Sherrill, C David

2017-07-11

Psi4 is an ab initio electronic structure program providing methods such as Hartree-Fock, density functional theory, configuration interaction, and coupled-cluster theory. The 1.1 release represents a major update meant to automate complex tasks, such as geometry optimization using complete-basis-set extrapolation or focal-point methods. Conversion of the top-level code to a Python module means that Psi4 can now be used in complex workflows alongside other Python tools. Several new features have been added with the aid of libraries providing easy access to techniques such as density fitting, Cholesky decomposition, and Laplace denominators. The build system has been completely rewritten to simplify interoperability with independent, reusable software components for quantum chemistry. Finally, a wide range of new theoretical methods and analyses have been added to the code base, including functional-group and open-shell symmetry adapted perturbation theory, density-fitted coupled cluster with frozen natural orbitals, orbital-optimized perturbation and coupled-cluster methods (e.g., OO-MP2 and OO-LCCD), density-fitted multiconfigurational self-consistent field, density cumulant functional theory, algebraic-diagrammatic construction excited states, improvements to the geometry optimizer, and the "X2C" approach to relativistic corrections, among many other improvements.

Effect of CoSi2 buffer layer on structure and magnetic properties of Co films grown on Si (001) substrate

NASA Astrophysics Data System (ADS)

Hu, Bo; He, Wei; Ye, Jun; Tang, Jin; Syed Sheraz, Ahmad; Zhang, Xiang-Qun; Cheng, Zhao-Hua

2015-01-01

Buffer layer provides an opportunity to enhance the quality of ultrathin magnetic films. In this paper, Co films with different thickness of CoSi2 buffer layers were grown on Si (001) substrates. In order to investigate morphology, structure, and magnetic properties of films, scanning tunneling microscope (STM), low energy electron diffraction (LEED), high resolution transmission electron microscopy (HRTEM), and surface magneto-optical Kerr effect (SMOKE) were used. The results show that the crystal quality and magnetic anisotropies of the Co films are strongly affected by the thickness of CoSi2 buffer layers. Few CoSi2 monolayers can prevent the interdiffusion of Si substrate and Co film and enhance the Co film quality. Furthermore, the in-plane magnetic anisotropy of Co film with optimal buffer layer shows four-fold symmetry and exhibits the two-jumps of magnetization reversal process, which is the typical phenomenon in cubic (001) films. Project supported by the National Basic Research Program of China (Grant Nos. 2011CB921801 and 2012CB933102), the National Natural Science Foundation of China (Grant Nos. 11374350, 11034004, 11274361, and 11274033), and the Research Fund for the Doctoral Program of Higher Education of China (Grant No. 20131102130005).

Accelerating large scale Kohn-Sham density functional theory calculations with semi-local functionals and hybrid functionals

NASA Astrophysics Data System (ADS)

Lin, Lin

The computational cost of standard Kohn-Sham density functional theory (KSDFT) calculations scale cubically with respect to the system size, which limits its use in large scale applications. In recent years, we have developed an alternative procedure called the pole expansion and selected inversion (PEXSI) method. The PEXSI method solves KSDFT without solving any eigenvalue and eigenvector, and directly evaluates physical quantities including electron density, energy, atomic force, density of states, and local density of states. The overall algorithm scales as at most quadratically for all materials including insulators, semiconductors and the difficult metallic systems. The PEXSI method can be efficiently parallelized over 10,000 - 100,000 processors on high performance machines. The PEXSI method has been integrated into a number of community electronic structure software packages such as ATK, BigDFT, CP2K, DGDFT, FHI-aims and SIESTA, and has been used in a number of applications with 2D materials beyond 10,000 atoms. The PEXSI method works for LDA, GGA and meta-GGA functionals. The mathematical structure for hybrid functional KSDFT calculations is significantly different. I will also discuss recent progress on using adaptive compressed exchange method for accelerating hybrid functional calculations. DOE SciDAC Program, DOE CAMERA Program, LBNL LDRD, Sloan Fellowship.

The Evolution of Electronic Commerce Education

ERIC Educational Resources Information Center

Burkey, Julie

2007-01-01

Business schools began introducing electronic commerce programs in the late 1990s at unprecedented rates. In this study, the author examined the evolution in electronic commerce programs offered by AACSB-accredited colleges and universities from 2001 to 2005. Although these programs are declining in number, they provide the necessary skills and…

An Electronic Commerce Strategy for MTMC’s Guaranteed Traffic Program

DTIC Science & Technology

1992-10-01

AD-A264 299 SELECTE October 1992 S MAY1 4 1993U C An Electronic Commerce Strategy for MTMC’s Guaranteed Traffic Program MT901R I N1. Augustine...NUMBERS An Electronic Commerce Strategy for MTMC’s Guaranteed Traffic Program C MDA903-85-C -0139 M DA903-90-C-0006 PE 0902198D 6. AUTHOR(S) M...239-1L 299-01 LMI Executive Summary AN ELECTRONIC COMMERCE STRATEGY FOR MTMC’S GUARANTEED TRAFFIC PROGRAM In 1979, the Military Traffic Management

EXTRACTION OF FRACTURE-MECHANICS AND TRANSMISSION-ELECTRON-MICROSCOPY SAMPLES FROM TRITIUM-EXPOSED RESERVOIRS USING ELECTRIC-DISCHARGE MACHINING

DOE Office of Scientific and Technical Information (OSTI.GOV)

Morgan, M; Ken Imrich, K; Michael Tosten, M

2006-08-31

The Enhanced Surveillance Campaign is funding a program to investigate tritium aging effects on the structural properties of tritium reservoir steels. The program is designed to investigate how the structural properties of reservoir steels change during tritium service and to examine the role of microstructure and reservoir manufacturing on tritium compatibility. New surveillance tests are also being developed that can better gauge the long-term effects of tritium and its radioactive decay product, helium-3, on the properties of reservoir steels. In order to conduct these investigations, three types of samples are needed from returned reservoirs: tensile, fracture mechanics, and transmission-electron microscopymore » (TEM). An earlier report demonstrated how the electric-discharge machining (EDM) technique can be used for cutting tensile samples from serial sections of a 3T reservoir and how yield strength, ultimate strength and elongation could be measured from those samples. In this report, EDM was used successfully to section sub-sized fracture-mechanics samples from the inner and outer walls of a 3T reservoir and TEM samples from serial sections of a 1M reservoir. This report fulfills the requirements for the FY06 Level 3 milestone, TSR 15.1 ''Cut Fracture-Mechanics Samples from Tritium-Exposed Reservoir'' and TSR 15.2 ''Cut Transmission-electron-microscopy foils from Tritium-Exposed Reservoir'' for the Enhance Surveillance Campaign (ESC). This was in support of ESC L2-1870 Milestone-''Provide aging and lifetime assessments of selected components and materials for multiple enduring stockpile systems''.« less

Voyager electronic parts radiation program. Volume 2: Test requirements and procedures

NASA Technical Reports Server (NTRS)

Stanley, A. G.; Martin, K. E.; Price, W. E.

1978-01-01

Documents are presented outlining the conditions and requirements of the test program. The Appendixes are as follows: appendix A -- Electron Simulation Radiation Test Specification for Voyager Electronic Parts and Devices, appendix B -- Electronic Piece-Part Testing Program for Voyager, appendix C -- Test Procedure for Radiation Screening of Voyager Piece Parts, appendix D -- Boeing In Situ Test Fixture, and appendix E -- Irradiate - Anneal (IRAN) Screening Documents.

Local atomic and electronic structure of LaCoO3 /SrTiO3 thin films by HAADF STEM and EELS

NASA Astrophysics Data System (ADS)

Borisevich, Albina; Hyuck Jang, Jae; Kim, Young-Min; Qiao, Liang; Biegalski, Michael

2013-03-01

For perovskite films with several competing functionalities, magnetic and electronic properties can be affected both by structural order parameters and chemical factors. For example, in LaCoO3 (LCO) thin films, magnetic and transport properties are strongly dependent on strain state and oxygen content. For this study, LCO thin films were deposited by pulsed laser deposition method with different thicknesses (2, 5, 15 unit cell and 20 nm thickness) on SrTiO3 substrate. X-ray photoelectron spectroscopy studies of the grown films have demonstrated that Co 3p edges shift up to 2 eV for 15 u.c. and 20 nm films, indicating possible presence of 2D electron gas. The structure of the 5 u.c and 15 u.c LCO films was examined. Atomic position mapping from STEM HAADF and BF images can reveal lattice parameter and octahedral tilt behavior with atomic resolution. BF STEM imaging showed that octahedral tilts were active in the 15 u.c. film but not in the 5 u.c. film. A complex pattern of O K fine structure evolution at the interface was observed; results of the deconvolution of different contributions to this behavior using advanced simulations, as well as data on oxygen vacancy mapping, will be presented. Research supported by the US DOE-BES, Materials Sciences and Engineering Division, and through a user project supported by ORNL's ShaRE User Program.

Review of EuCARD project on accelerator infrastructure in Europe

NASA Astrophysics Data System (ADS)

Romaniuk, Ryszard S.

2013-01-01

The aim of big infrastructural and research programs (like pan-European Framework Programs) and individual projects realized inside these programs in Europe is to structure the European Research Area - ERA in this way as to be competitive with the leaders of the world. One of this projects in EuCARD (European Coordination of Accelerator Research and Development) with the aim to structure and modernize accelerator, (including accelerators for big free electron laser machines) research infrastructure. This article presents the periodic development of EuCARD which took place between the annual meeting, April 2012 in Warsaw and SC meeting in Uppsala, December 2012. The background of all these efforts are achievements of the LHC machine and associated detectors in the race for new physics. The LHC machine works in the regime of p-p, Pb-p, Pb-Pb (protons and lead ions). Recently, a discovery by the LHC of Higgs like boson, has started vivid debates on the further potential of this machine and the future. The periodic EuCARD conference, workshop and meetings concern building of the research infrastructure, including in this advanced photonic and electronic systems for servicing large high energy physics experiments. There are debated a few basic groups of such systems like: measurement - control networks of large geometrical extent, multichannel systems for large amounts of metrological data acquisition, precision photonic networks of reference time, frequency and phase distribution. The aim of the discussion is not only summarize the current status but make plans and prepare practically to building new infrastructures. Accelerator science and technology is one of a key enablers of the developments in the particle physic, photon physics and also applications in medicine and industry. Accelerator technology is intensely developed in all developed nations and regions of the world. The EuCARD project contains a lot of subjects related directly and indirectly to photon physics and photonics, as well as optoelectronics, electronics and integration of these with large research infrastructure.

Fitmunk: improving protein structures by accurate, automatic modeling of side-chain conformations.

PubMed

Porebski, Przemyslaw Jerzy; Cymborowski, Marcin; Pasenkiewicz-Gierula, Marta; Minor, Wladek

2016-02-01

Improvements in crystallographic hardware and software have allowed automated structure-solution pipelines to approach a near-`one-click' experience for the initial determination of macromolecular structures. However, in many cases the resulting initial model requires a laborious, iterative process of refinement and validation. A new method has been developed for the automatic modeling of side-chain conformations that takes advantage of rotamer-prediction methods in a crystallographic context. The algorithm, which is based on deterministic dead-end elimination (DEE) theory, uses new dense conformer libraries and a hybrid energy function derived from experimental data and prior information about rotamer frequencies to find the optimal conformation of each side chain. In contrast to existing methods, which incorporate the electron-density term into protein-modeling frameworks, the proposed algorithm is designed to take advantage of the highly discriminatory nature of electron-density maps. This method has been implemented in the program Fitmunk, which uses extensive conformational sampling. This improves the accuracy of the modeling and makes it a versatile tool for crystallographic model building, refinement and validation. Fitmunk was extensively tested on over 115 new structures, as well as a subset of 1100 structures from the PDB. It is demonstrated that the ability of Fitmunk to model more than 95% of side chains accurately is beneficial for improving the quality of crystallographic protein models, especially at medium and low resolutions. Fitmunk can be used for model validation of existing structures and as a tool to assess whether side chains are modeled optimally or could be better fitted into electron density. Fitmunk is available as a web service at http://kniahini.med.virginia.edu/fitmunk/server/ or at http://fitmunk.bitbucket.org/.

Simulation-Guided 3D Nanomanufacturing via Focused Electron Beam Induced Deposition

DOE PAGES

Fowlkes, Jason D.; Winkler, Robert; Lewis, Brett B.; ...

2016-06-10

Focused electron beam induced deposition (FEBID) is one of the few techniques that enables direct-write synthesis of free-standing 3D nanostructures. While the fabrication of simple architectures such as vertical or curving nanowires has been achieved by simple trial and error, processing complex 3D structures is not tractable with this approach. This is due, inpart, to the dynamic interplay between electron–solid interactions and the transient spatial distribution of absorbed precursor molecules on the solid surface. Here, we demonstrate the ability to controllably deposit 3D lattice structures at the micro/nanoscale, which have received recent interest owing to superior mechanical and optical properties.more » Moreover, a hybrid Monte Carlo–continuum simulation is briefly overviewed, and subsequently FEBID experiments and simulations are directly compared. Finally, a 3D computer-aided design (CAD) program is introduced, which generates the beam parameters necessary for FEBID by both simulation and experiment. In using this approach, we demonstrate the fabrication of various 3D lattice structures using Pt-, Au-, and W-based precursors.« less

Ab initio electronic structure calculations for metallic intermediate band formation in photovoltaic materials

NASA Astrophysics Data System (ADS)

Wahnón, P.; Tablero, C.

2002-04-01

A metallic isolated band in the middle of the band gap of several III-V semiconductors has been predicted as photovoltaic materials with the possibility of providing substantially enhanced efficiencies. We have investigated the electronic band structures and lattice constants of GanAsmM and GanPmM with M=Sc, Ti, V, and Cr, to identify whether this isolated band is likely to exist by means of accurate calculations. For this task, we use the SIESTA program, an ab initio periodic density-functional method, fully self consistent in the local-density approximation. Norm-conserving, nonlocal pseudopotentials and confined linear combination of atomic orbitals have been used. We have carried out a case study of GanAsmTi and GanPmTi energy-band structure including analyses of the effect of the basis set, fine k-point mesh to ensure numerical convergence, structural parameters, and generalized gradient approximation for exchange and correlation corrections. We find the isolated intermediate band when one Ti atom replaces the position of one As (or P) atom in the crystal structure. For this kind of compound we show that the intermediate band relative position inside the band gap and width are sensitive to the dynamic relaxation of the crystal and the size of the basis set.

Oxide Interfaces: emergent structure and dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clarke, Roy

This Final Report describes the scientific accomplishments that have been achieved with support from grant DE-FG02-06ER46273 during the period 6/1/2012– 5/31/2016. The overall goals of this program were focused on the behavior of epitaxial oxide heterostructures at atomic length scales (Ångstroms), and correspondingly short time-scales (fs -ns). The results contributed fundamentally to one of the currently most active frontiers in condensed matter physics research, namely to better understand the intricate relationship between charge, lattice, orbital and spin degrees of freedom that are exhibited by complex oxide heterostructures. The findings also contributed towards an important technological goal which was to achievemore » a better basic understanding of structural and electronic correlations so that the unusual properties of complex oxides can be exploited for energy-critical applications. Specific research directions included: probing the microscopic behavior of epitaxial interfaces and buried layers; novel materials structures that emerge from ionic and electronic reconfiguration at epitaxial interfaces; ultrahigh-resolution mapping of the atomic structure of heterointerfaces using synchrotron-based x-ray surface scattering, including direct methods of phase retrieval; using ultrafast lasers to study the effects of transient strain on coherent manipulation of multi-ferroic order parameters; and investigating structural ordering and relaxation processes in real-time.« less

Thermal transfer structures coupling electronics card(s) to coolant-cooled structure(s)

DOEpatents

David, Milnes P; Graybill, David P; Iyengar, Madhusudan K; Kamath, Vinod; Kochuparambil, Bejoy J; Parida, Pritish R; Schmidt, Roger R

2014-12-16

Cooling apparatuses and coolant-cooled electronic systems are provided which include thermal transfer structures configured to engage with a spring force one or more electronics cards with docking of the electronics card(s) within a respective socket(s) of the electronic system. A thermal transfer structure of the cooling apparatus includes a thermal spreader having a first thermal conduction surface, and a thermally conductive spring assembly coupled to the conduction surface of the thermal spreader and positioned and configured to reside between and physically couple a first surface of an electronics card to the first surface of the thermal spreader with docking of the electronics card within a socket of the electronic system. The thermal transfer structure is, in one embodiment, metallurgically bonded to a coolant-cooled structure and facilitates transfer of heat from the electronics card to coolant flowing through the coolant-cooled structure.

How does the culture of medical group practices influence the types of programs used to assure quality of care?

PubMed

Kaissi, Amer; Kralewski, John; Curoe, Ann; Dowd, Bryan; Silversmith, Janet

2004-01-01

It is widely acknowledged that the culture of medical group practices greatly influences the quality of care, but little is known about how cultures are translated into specific types of programs focused on quality. This study explores this issue by assessing the influence of the organizational culture on these types of programs in medical group practices in the upper Midwest. Data were obtained from two surveys of medical group practices. The first survey was designed to assess the culture of the practice using a nine-dimension instrument developed previously. The second survey was designed to obtain organizational structure data including the programs identified by the literature as important to the quality of care in medical practices. Completed surveys were obtained from eighty-eight medical groups. The relationship of the group practice culture to structural programs focused on quality of care was analyzed using logistic regression equations. Several interesting patterns emerged. As expected, practices with a strong information culture favor electronic data systems and formal programs that provide comparative or evidence-based data to enhance their clinical practices. However, those with a quality-centered culture appear to prefer patient satisfaction surveys to assess the quality of their care, while practices that are more business-oriented rely on bureaucratic strategies such as benchmarking and physician profiling. Cultures that emphasize the autonomy of physician practice were negatively (but not at a statistically significant level) associated with all the programs studied. Practices with a highly collegial culture appear to rely on informal peer review mechanisms to assure quality rather than any of the structural programs included in this analysis. This study suggests that the types of quality programs that group practices develop differ according to their cultures. Consequently, it is important for practice administrators and medical directors to develop quality assurance programs that fit their cultures if they are to gain buy-in by their clinicians. Future research should assess the effect of culture-structure fit on quality and safety outcomes.

76 FR 39263 - Antidumping and Countervailing Duty Proceedings: Electronic Filing Procedures; Administrative...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-06

... resulting from the Department's implementation of an electronic filing and documents management program... regulations that is entitled ``IA ACCESS Handbook On Electronic Filing Procedures'' (``IA ACCESS Handbook... management program named Import Administration Antidumping and Countervailing Duty Centralized Electronic...

EDF: Computing electron number probability distribution functions in real space from molecular wave functions

NASA Astrophysics Data System (ADS)

Francisco, E.; Pendás, A. Martín; Blanco, M. A.

2008-04-01

Given an N-electron molecule and an exhaustive partition of the real space ( R) into m arbitrary regions Ω,Ω,…,Ω ( ⋃i=1mΩ=R), the edf program computes all the probabilities P(n,n,…,n) of having exactly n electrons in Ω, n electrons in Ω,…, and n electrons ( n+n+⋯+n=N) in Ω. Each Ω may correspond to a single basin (atomic domain) or several such basins (functional group). In the later case, each atomic domain must belong to a single Ω. The program can manage both single- and multi-determinant wave functions which are read in from an aimpac-like wave function description ( .wfn) file (T.A. Keith et al., The AIMPAC95 programs, http://www.chemistry.mcmaster.ca/aimpac, 1995). For multi-determinantal wave functions a generalization of the original .wfn file has been introduced. The new format is completely backwards compatible, adding to the previous structure a description of the configuration interaction (CI) coefficients and the determinants of correlated wave functions. Besides the .wfn file, edf only needs the overlap integrals over all the atomic domains between the molecular orbitals (MO). After the P(n,n,…,n) probabilities are computed, edf obtains from them several magnitudes relevant to chemical bonding theory, such as average electronic populations and localization/delocalization indices. Regarding spin, edf may be used in two ways: with or without a splitting of the P(n,n,…,n) probabilities into α and β spin components. Program summaryProgram title: edf Catalogue identifier: AEAJ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAJ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5387 No. of bytes in distributed program, including test data, etc.: 52 381 Distribution format: tar.gz Programming language: Fortran 77 Computer: 2.80 GHz Intel Pentium IV CPU Operating system: GNU/Linux RAM: 55 992 KB Word size: 32 bits Classification: 2.7 External routines: Netlib Nature of problem: Let us have an N-electron molecule and define an exhaustive partition of the physical space into m three-dimensional regions. The edf program computes the probabilities P(n,n,…,n)≡P({n}) of all possible allocations of n electrons to Ω, n electrons to Ω,…, and n electrons to Ω,{n} being integers. Solution method: Let us assume that the N-electron molecular wave function, Ψ(1,N), is a linear combination of M Slater determinants, Ψ(1,N)=∑rMCψ(1,N). Calling SΩrs the overlap matrix over the 3D region Ω between the (real) molecular spin-orbitals (MSO) in ψ(χ1r,…χNr) and the MSOs in ψ,(χ1s,…,χNs), edf finds all the P({n})'s by solving the linear system ∑{n}{∏kmtkn}P({n})=∑r,sMCCdet[∑kmtSΩrs], where t=1 and t,…,t are arbitrary real numbers. Restrictions: The number of {n} sets grows very fast with m and N, so that the dimension of the linear system (1) soon becomes very large. Moreover, the computer time required to obtain the determinants in the second member of Eq. (1) scales quadratically with M. These two facts limit the applicability of the method to relatively small molecules. Unusual features: Most of the real variables are of precision real*16. Running time: 0.030, 2.010, and 0.620 seconds for Test examples 1, 2, and 3, respectively. References: [1] A. Martín Pendás, E. Francisco, M.A. Blanco, Faraday Discuss. 135 (2007) 423-438. [2] A. Martín Pendás, E. Francisco, M.A. Blanco, J. Phys. Chem. A 111 (2007) 1084-1090. [3] A. Martín Pendás, E. Francisco, M.A. Blanco, Phys. Chem. Chem. Phys. 9 (2007) 1087-1092. [4] E. Francisco, A. Martín Pendás, M.A. Blanco, J. Chem. Phys. 126 (2007) 094102. [5] A. Martín Pendás, E. Francisco, M.A. Blanco, C. Gatti, Chemistry: A European Journal 113 (2007) 9362-9371.

Cryo-Vacuum Testing of the JWST Integrated Science Instrument Module

NASA Technical Reports Server (NTRS)

Kimble, Randy A.; Vila, M. Begona; Van Campen, Julie M.; Birkmann, Stephen M.; Comber, Brian J.; Fatig, Curtis C.; Glasse, Alistair C. H.; Glazer, Stuart D.; Kelly, Douglas M.; Mann, Steven D.;

Application of ChemDraw NMR Tool: Correlation of Program-Generated 13C Chemical Shifts and pKa Values of para-Substituted Benzoic Acids

NASA Astrophysics Data System (ADS)

Wang, Hongyi

2005-09-01

An application of ChemDraw NMR Tool was demonstrated by correlation of program-generated 13 C NMR chemical shifts and p K a values of para-substituted benzoic acids. Experimental 13 C NMR chemical shifts were analyzed in the same way for comparison. The project can be used as an assignment at the end of the first-year organic chemistry course to review topics or explore new techniques: Hammett equation, acid base equilibrium theory, electronic nature of functional groups, inductive and resonance effects, structure reactivity relationship, NMR spectroscopy, literature search, database search, and ChemDraw software.

Roothaan's approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behavior.

PubMed

Rodriguez-Bautista, Mariano; Díaz-García, Cecilia; Navarrete-López, Alejandra M; Vargas, Rubicelia; Garza, Jorge

2015-07-21

In this report, we use a new basis set for Hartree-Fock calculations related to many-electron atoms confined by soft walls. One- and two-electron integrals were programmed in a code based in parallel programming techniques. The results obtained with this proposal for hydrogen and helium atoms were contrasted with other proposals to study just one and two electron confined atoms, where we have reproduced or improved the results previously reported. Usually, an atom enclosed by hard walls has been used as a model to study confinement effects on orbital energies, the main conclusion reached by this model is that orbital energies always go up when the confinement radius is reduced. However, such an observation is not necessarily valid for atoms confined by penetrable walls. The main reason behind this result is that for atoms with large polarizability, like beryllium or potassium, external orbitals are delocalized when the confinement is imposed and consequently, the internal orbitals behave as if they were in an ionized atom. Naturally, the shell structure of these atoms is modified drastically when they are confined. The delocalization was an argument proposed for atoms confined by hard walls, but it was never verified. In this work, the confinement imposed by soft walls allows to analyze the delocalization concept in many-electron atoms.

Roothaan’s approach to solve the Hartree-Fock equations for atoms confined by soft walls: Basis set with correct asymptotic behavior

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rodriguez-Bautista, Mariano; Díaz-García, Cecilia; Navarrete-López, Alejandra M.

2015-07-21

In this report, we use a new basis set for Hartree-Fock calculations related to many-electron atoms confined by soft walls. One- and two-electron integrals were programmed in a code based in parallel programming techniques. The results obtained with this proposal for hydrogen and helium atoms were contrasted with other proposals to study just one and two electron confined atoms, where we have reproduced or improved the results previously reported. Usually, an atom enclosed by hard walls has been used as a model to study confinement effects on orbital energies, the main conclusion reached by this model is that orbital energiesmore » always go up when the confinement radius is reduced. However, such an observation is not necessarily valid for atoms confined by penetrable walls. The main reason behind this result is that for atoms with large polarizability, like beryllium or potassium, external orbitals are delocalized when the confinement is imposed and consequently, the internal orbitals behave as if they were in an ionized atom. Naturally, the shell structure of these atoms is modified drastically when they are confined. The delocalization was an argument proposed for atoms confined by hard walls, but it was never verified. In this work, the confinement imposed by soft walls allows to analyze the delocalization concept in many-electron atoms.« less

High voltage cabling for high power spacecraft

NASA Technical Reports Server (NTRS)

Dunbar, W. G.

1981-01-01

Studies by NASA have shown that many of the space missions proposed for the time period 1980 to 2000 will require large spacecraft structures to be assembled in orbit. Large antennas and power systems up to 2.5 MW size are predicted to supply the electrical/electronic subsystems, solar electric subsystems, solar electric propulsion, and space processing for the near-term programs. Platforms of 100 meters/length for stable foundations, utility stations, and supports for these multi-antenna and electronic powered mechanisms are also being considered. This paper includes the findings of an analytic and conceptual design study for large spacecraft power distribution, and electrical loads and their influence on the cable and connector requirements for these proposed large spacecraft.

The Global Coronal Structure Investigation

NASA Technical Reports Server (NTRS)

Golub, Leon

1998-01-01

During the past year we have completed the changeover from the NIXT program to the new TXI sounding rocket program. The NIXT effort, aimed at evaluating the viability of the remaining portions of the NIXT hardware and design, has been finished and the portions of the NIXT which are viable and flightworthy, such as filters, mirror mounting hardware, electronics and telemetry interface systems, are now part of the new rocket payload. The backup NIXT multilayer-coated x-ray telescope and its mounting hardware have been completely fabricated and are being stored for possible future use in the TXI rocket. The H-alpha camera design is being utilized in the TXI program for real-time pointing verification and control via telemetry. A new H-alpha camera has been built, with a high-resolution RS170 CCD camera output. Two papers, summarizing scientific results from the NIXT rocket program, have been written and published this year: 1. "The Solar X-ray Corona," by L. Golub, Astrophysics and Space Science, 237, 33 (1996). 2. "Difficulties in Observing Coronal Structure," Keynote Paper, Proceedings STEPWG1 Workshop on Measurements and Analyses of the Solar 3D Magnetic Field, Solar Physics, 174, 99 (1997).

Death of mitochondria during programmed cell death of leaf mesophyll cells.

PubMed

Selga, Tūrs; Selga, Maija; Pāvila, Vineta

2005-12-01

The role of plant mitochondria in the programmed cell death (PCD) is widely discussed. However, spectrum and sequence of mitochondrial structural changes during different types of PCD in leaves are poorly described. Pea, cucumber and rye plants were grown under controlled growing conditions. A part of them were sprinkled with ethylene releaser to accelerate cell death. During yellowing the palisade parenchyma mitochondria were attracted to nuclear envelope. Mitochondrial matrix became electron translucent. Mitochondria entered vacuole by invagination of tonoplast and formed multivesicular bodies. Ethephon treatment increased the frequency of sticking of mitochondria to the nuclear envelope or chloroplasts and peroxisomes. Mitochondria divided by different mechanisms and became enclosed in Golgi and ER derived authopagic vacuoles or in the central vacuole. Several fold increase of the diameter of cristae became typical. In all cases mitochondria were attached to nuclear envelope. It can be considered as structural mechanism of promoting of PCD.

Omokage search: shape similarity search service for biomolecular structures in both the PDB and EMDB.

PubMed

Suzuki, Hirofumi; Kawabata, Takeshi; Nakamura, Haruki

2016-02-15

Omokage search is a service to search the global shape similarity of biological macromolecules and their assemblies, in both the Protein Data Bank (PDB) and Electron Microscopy Data Bank (EMDB). The server compares global shapes of assemblies independent of sequence order and number of subunits. As a search query, the user inputs a structure ID (PDB ID or EMDB ID) or uploads an atomic model or 3D density map to the server. The search is performed usually within 1 min, using one-dimensional profiles (incremental distance rank profiles) to characterize the shapes. Using the gmfit (Gaussian mixture model fitting) program, the found structures are fitted onto the query structure and their superimposed structures are displayed on the Web browser. Our service provides new structural perspectives to life science researchers. Omokage search is freely accessible at http://pdbj.org/omokage/. © The Author 2015. Published by Oxford University Press.

Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

McLuckey, Scott

2016-08-30

The overall objectives of this research effort were to expand the capabilities of spectroscopic and ion chemistry tools for the structural characterization of polyatomic ions of relevance to the broad mission of the Department of Energy. Mass spectrometry currently plays an important role in virtually all of the molecular sciences by virtue of the value of the accurate measurement of mass and the structural information that can be derived from various structural probes based on, for example, ion chemistry, ion mobility, and ion spectroscopy. Mass spectrometry has long played important roles in supporting the missions of the Department of Energymore » and its predecessor agencies, particularly in the area of isotopic analysis of nuclides. Molecular mass spectrometry has played increasingly important roles is many aspects of the production and use of energy as the nation has diversified its energy portfolio. There is an ongoing need for the expansion of the measurement capabilities associated with molecular mass spectrometry that involves both technological developments as well as improved understanding of the chemical and physical processes that take place upon ionization and ion analysis in a mass spectrometer. Advances in mass spectrometry have impacted science broadly and further advances will be required to meet the needs of current energy and environmental research. This program has historically focused on the structural characterization of polyatomic ions, usually within the context of a tandem mass spectrometry experiment. A wide variety of physical and chemical processes can take place within a mass spectrometer and advantage can be taken of such processes to enhance the quality and quantity of information that can be derived for a given chemical system of interest. For example, ions can undergo interactions with neutral molecules/atoms, light, surfaces, electrons, or oppositely charged ions. The outcomes of all such interactions can be sensitive to the structures of the ions and are therefore candidates for probes of ion structure. This program has historically focused on the chemistry and physics associated with ion/neutral interactions at both low and high translational energies, and ion/ion reactions. The former area has involved the study of ion/molecule reactions at thermal energies and the extensive study of collisional activation under a wide variety of conditions. A major area of emphasis has been collisional activation in electrodynamic ion traps. The study of gas-phase ion/ion reactions within the context of tandem mass spectrometry was initiated in this program and has grown to be a major research area in this group. Most of the focus in ion/ion chemistry has been on proton transfer and electron transfer reactions and some of the work in the previous budget period was directed, in particular, to fundamental aspects of electron transfer. Recently, the discovery of selective covalent ion/ion reactions has opened up new vistas for research that will expand significantly the capabilities of tandem mass spectrometry for the structural characterization of polyatomic ions.« less

Scattering of an electronic wave packet by a one-dimensional electron-phonon-coupled structure

NASA Astrophysics Data System (ADS)

Brockt, C.; Jeckelmann, E.

2017-02-01

We investigate the scattering of an electron by phonons in a small structure between two one-dimensional tight-binding leads. This model mimics the quantum electron transport through atomic wires or molecular junctions coupled to metallic leads. The electron-phonon-coupled structure is represented by the Holstein model. We observe permanent energy transfer from the electron to the phonon system (dissipation), transient self-trapping of the electron in the electron-phonon-coupled structure (due to polaron formation and multiple reflections at the structure edges), and transmission resonances that depend strongly on the strength of the electron-phonon coupling and the adiabaticity ratio. A recently developed TEBD algorithm, optimized for bosonic degrees of freedom, is used to simulate the quantum dynamics of a wave packet launched against the electron-phonon-coupled structure. Exact results are calculated for a single electron-phonon site using scattering theory and analytical approximations are obtained for limiting cases.

Use of a structured template to facilitate practice-based learning and improvement projects.

PubMed

McClain, Elizabeth K; Babbott, Stewart F; Tsue, Terance T; Girod, Douglas A; Clements, Debora; Gilmer, Lisa; Persons, Diane; Unruh, Greg

2012-06-01

The Accreditation Council for Graduate Medical Education (ACGME) requires residency programs to meet and demonstrate outcomes across 6 competencies. Measuring residents' competency in practice-based learning and improvement (PBLI) is particularly challenging. We developed an educational tool to meet ACGME requirements for PBLI. The PBLI template helped programs document quality improvement (QI) projects and supported increased scholarly activity surrounding PBLI learning. We reviewed program requirements for 43 residency and fellowship programs and identified specific PBLI requirements for QI activities. We also examined ACGME Program Information Form responses on PBLI core competency questions surrounding QI projects for program sites visited in 2008-2009. Data were integrated by a multidisciplinary committee to develop a peer-protected PBLI template guiding programs through process, documentation, and evaluation of QI projects. All steps were reviewed and approved through our GME Committee structure. An electronic template, companion checklist, and evaluation form were developed using identified project characteristics to guide programs through the PBLI process and facilitate documentation and evaluation of the process. During a 24 month period, 27 programs have completed PBLI projects, and 15 have reviewed the template with their education committees, but have not initiated projects using the template. The development of the tool generated program leaders' support because the tool enhanced the ability to meet program-specific objectives. The peer-protected status of this document for confidentiality and from discovery has been beneficial for program usage. The document aggregates data on PBLI and QI initiatives, offers opportunities to increase scholarship in QI, and meets the ACGME goal of linking measures to outcomes important to meeting accreditation requirements at the program and institutional level.

Use of a Structured Template to Facilitate Practice-Based Learning and Improvement Projects

PubMed Central

McClain, Elizabeth K.; Babbott, Stewart F.; Tsue, Terance T.; Girod, Douglas A.; Clements, Debora; Gilmer, Lisa; Persons, Diane; Unruh, Greg

2012-01-01

Background The Accreditation Council for Graduate Medical Education (ACGME) requires residency programs to meet and demonstrate outcomes across 6 competencies. Measuring residents' competency in practice-based learning and improvement (PBLI) is particularly challenging. Purpose We developed an educational tool to meet ACGME requirements for PBLI. The PBLI template helped programs document quality improvement (QI) projects and supported increased scholarly activity surrounding PBLI learning. Methods We reviewed program requirements for 43 residency and fellowship programs and identified specific PBLI requirements for QI activities. We also examined ACGME Program Information Form responses on PBLI core competency questions surrounding QI projects for program sites visited in 2008–2009. Data were integrated by a multidisciplinary committee to develop a peer-protected PBLI template guiding programs through process, documentation, and evaluation of QI projects. All steps were reviewed and approved through our GME Committee structure. Results An electronic template, companion checklist, and evaluation form were developed using identified project characteristics to guide programs through the PBLI process and facilitate documentation and evaluation of the process. During a 24 month period, 27 programs have completed PBLI projects, and 15 have reviewed the template with their education committees, but have not initiated projects using the template. Discussion The development of the tool generated program leaders' support because the tool enhanced the ability to meet program-specific objectives. The peer-protected status of this document for confidentiality and from discovery has been beneficial for program usage. The document aggregates data on PBLI and QI initiatives, offers opportunities to increase scholarship in QI, and meets the ACGME goal of linking measures to outcomes important to meeting accreditation requirements at the program and institutional level. PMID:23730444

ePORT, NASA's Computer Database Program for System Safety Risk Management Oversight (Electronic Project Online Risk Tool)

NASA Technical Reports Server (NTRS)

Johnson, Paul W.

2008-01-01

ePORT (electronic Project Online Risk Tool) provides a systematic approach to using an electronic database program to manage a program/project risk management processes. This presentation will briefly cover the standard risk management procedures, then thoroughly cover NASA's Risk Management tool called ePORT. This electronic Project Online Risk Tool (ePORT) is a web-based risk management program that provides a common framework to capture and manage risks, independent of a programs/projects size and budget. It is used to thoroughly cover the risk management paradigm providing standardized evaluation criterion for common management reporting, ePORT improves Product Line, Center and Corporate Management insight, simplifies program/project manager reporting, and maintains an archive of data for historical reference.

Fingerprint-Based Structure Retrieval Using Electron Density

PubMed Central

Yin, Shuangye; Dokholyan, Nikolay V.

2010-01-01

We present a computational approach that can quickly search a large protein structural database to identify structures that fit a given electron density, such as determined by cryo-electron microscopy. We use geometric invariants (fingerprints) constructed using 3D Zernike moments to describe the electron density, and reduce the problem of fitting of the structure to the electron density to simple fingerprint comparison. Using this approach, we are able to screen the entire Protein Data Bank and identify structures that fit two experimental electron densities determined by cryo-electron microscopy. PMID:21287628

Fingerprint-based structure retrieval using electron density.

PubMed

Yin, Shuangye; Dokholyan, Nikolay V

2011-03-01

We present a computational approach that can quickly search a large protein structural database to identify structures that fit a given electron density, such as determined by cryo-electron microscopy. We use geometric invariants (fingerprints) constructed using 3D Zernike moments to describe the electron density, and reduce the problem of fitting of the structure to the electron density to simple fingerprint comparison. Using this approach, we are able to screen the entire Protein Data Bank and identify structures that fit two experimental electron densities determined by cryo-electron microscopy. Copyright © 2010 Wiley-Liss, Inc.

Adsorption and electron-induced polymerization of methyl methacrylate on Ru(101xAF0)

NASA Astrophysics Data System (ADS)

Hedhili, M. N.; Yakshinskiy, B. V.; Wasielewski, R.; Ciszewski, A.; Madey, T. E.

2008-05-01

The adsorption and electron irradiation of methyl methacrylate (MMA) on a Ru(101¯0) surface have been studied using x-ray photoelectron spectroscopy (XPS), temperature programmed desorption (TPD), and low energy ion scattering. TPD analysis indicates that a monolayer of MMA chemisorbs and dissociates on the Ru(101¯0) surface. The reaction products observed upon heating include H2, CO, CO2, and a small amount of MMA. Physisorbed multilayers of MMA desorb at temperatures around 170K. Electron irradiation of physisorbed MMA at 140K leads to a modification of the MMA film: The XPS spectra show an increase in thermal stability of the film with retention of the MMA structure, and indicate that electron irradiation induces polymerization. An increase in the electron bombardment fluence induces a degradation of the formed polymerized species and leads to the accumulation of carbon on the Ru surface. These results are relevant to the accumulation of carbon on surfaces of Ru films that serve as capping layers on Mo /Si multilayer mirrors used in extreme ultraviolet lithography.

On the application of quantum transport theory to electron sources.

PubMed

Jensen, Kevin L

2003-01-01

Electron sources (e.g., field emitter arrays, wide band-gap (WBG) semiconductor materials and coatings, carbon nanotubes, etc.) seek to exploit ballistic transport within the vacuum after emission from microfabricated structures. Regardless of kind, all sources strive to minimize the barrier to electron emission by engineering material properties (work function/electron affinity) or physical geometry (field enhancement) of the cathode. The unique capabilities of cold cathodes, such as instant ON/OFF performance, high brightness, high current density, large transconductance to capacitance ratio, cold emission, small size and/or low voltage operation characteristics, commend their use in several advanced devices when physical size, weight, power consumption, beam current, and pulse repletion frequency are important, e.g., RF power amplifier such as traveling wave tubes (TWTs) for radar and communications, electrodynamic tethers for satellite deboost/reboost, and electric propulsion systems such as Hall thrusters for small satellites. The theoretical program described herein is directed towards models to evaluate emission current from electron sources (in particular, emission from WBG and Spindt-type field emitter) in order to assess their utility, capabilities and performance characteristics. Modeling efforts particularly include: band bending, non-linear and resonant (Poole-Frenkel) potentials, the extension of one-dimensional theory to multi-dimensional structures, and emission site statistics due to variations in geometry and the presence of adsorbates. Two particular methodologies, namely, the modified Airy approach and metal-semiconductor statistical hyperbolic/ellipsoidal model, are described in detail in their present stage of development.

Aberration-corrected scanning transmission electron microscopy for complex transition metal oxides

NASA Astrophysics Data System (ADS)

Qing-Hua, Zhang; Dong-Dong, Xiao; Lin, Gu

2016-06-01

Lattice, charge, orbital, and spin are the four fundamental degrees of freedom in condensed matter, of which the interactive coupling derives tremendous novel physical phenomena, such as high-temperature superconductivity (high-T c SC) and colossal magnetoresistance (CMR) in strongly correlated electronic system. Direct experimental observation of these freedoms is essential to understanding the structure-property relationship and the physics behind it, and also indispensable for designing new materials and devices. Scanning transmission electron microscopy (STEM) integrating multiple techniques of structure imaging and spectrum analysis, is a comprehensive platform for providing structural, chemical and electronic information of materials with a high spatial resolution. Benefiting from the development of aberration correctors, STEM has taken a big breakthrough towards sub-angstrom resolution in last decade and always steps forward to improve the capability of material characterization; many improvements have been achieved in recent years, thereby giving an in-depth insight into material research. Here, we present a brief review of the recent advances of STEM by some representative examples of perovskite transition metal oxides; atomic-scale mapping of ferroelectric polarization, octahedral distortions and rotations, valence state, coordination and spin ordering are presented. We expect that this brief introduction about the current capability of STEM could facilitate the understanding of the relationship between functional properties and these fundamental degrees of freedom in complex oxides. Project supported by the National Key Basic Research Project, China (Grant No. 2014CB921002), the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB07030200), and the National Natural Science Foundation of China (Grant Nos. 51522212 and 51421002).

Joint Services Electronics Program.

DTIC Science & Technology

1981-09-30

devices and a structure in which an interrupted superconduc- tive film strip lies on a highly doped silicon surface. We have also developed a strong...Slusher, and H. Sturge, reported at 2nd Int’l Conf. on Submillimeter Waves and Their Applications, San Juan , P.R., December 1967. (12) T. DeGraauw, H... lies in the noncommutative property of matrix multiplication. However, we believe that techniques can be developed to deal with special classes of non

Single Crystal Diffractometry

NASA Astrophysics Data System (ADS)

Arndt, U. W.; Willis, B. T. M.

2009-06-01

Preface; Acknowledgements; Part I. Introduction; Part II. Diffraction Geometry; Part III. The Design of Diffractometers; Part IV. Detectors; Part V. Electronic Circuits; Part VI. The Production of the Primary Beam (X-rays); Part VII. The Production of the Primary Beam (Neutrons); Part VIII. The Background; Part IX. Systematic Errors in Measuring Relative Integrated Intensities; Part X. Procedure for Measuring Integrated Intensities; Part XI. Derivation and Accuracy of Structure Factors; Part XII. Computer Programs and On-line Control; Appendix; References; Index.

Technical accomplishments of the NASA Lewis Research Center, 1989

NASA Technical Reports Server (NTRS)

1990-01-01

Topics addressed include: high-temperature composite materials; structural mechanics; fatigue life prediction for composite materials; internal computational fluid mechanics; instrumentation and controls; electronics; stirling engines; aeropropulsion and space propulsion programs, including a study of slush hydrogen; space power for use in the space station, in the Mars rover, and other applications; thermal management; plasma and radiation; cryogenic fluid management in space; microgravity physics; combustion in reduced gravity; test facilities and resources.

Effective collision strengths for fine-structure forbidden transitions among the 3s^23p^3 levels of K V

NASA Astrophysics Data System (ADS)

Bell, Kenneth; Wilson, Nigel

2001-05-01

Electron temperatures and densities are difficult to determine in many astrophysical plasmas. However, it is well known that diagnostics on forbidden line intensity ratios for ions in the phosphorous isoelectronic sequence are of great importance in astrophysics, particularly for nebulae. A key element in the analysis is highly accurate atomic data. In this work we extend the earlier calculations of Butler, Zeippen and Le Bourlot (Astron. Astrophys. 203 189 (1988)) on electron scattering by K v. We have obtained effective collision strengths for a wide range of electron temperatures using the R-matrix method. Twenty-two LS target eigenstates are included in the expansion of the total wavefunction, consisting of the seven n=3 states with configuration 3s^23p^3 and 3s3p^4, twelve n=3 states with configuration 3s^23p^23d, and three n=4 states with configuration 3s^23p^24s. The fine-structure collision strengths have been obtained by transforming to a jj-coupling scheme using the JAJOM program of Saraph (Comp. Phys. Commun. 15 247 (1978)) and have been determined at a sufficiently fine energy mesh to delineate properly the resonance structure. Results for both collision strengths and for effective collision strengths will be presented at the conference and comparison will be made with the earlier work.

Electronic structure and rovibrational properties of ZnOH in the X̃²A' electronic state: a computational molecular spectroscopy study.

PubMed

Hirano, Tsuneo; Andaloussi, Mounir Ben Dahman; Nagashima, Umpei; Jensen, Per

2014-09-07

The three-dimensional ground-state potential energy surface of ZnOH has been calculated ab initio at the MR-SDCI+Q_DK3/[QZP ANO-RCC (Zn, O, H)] level of theory and used as basis for a study of the rovibrational properties carried out by means of the program MORBID (Morse Oscillator Rigid Bender Internal Dynamics). The electronic ground state is  (2)A' (correlating with (2)Σ(+) at the linear configuration). The equilibrium structure has r(e)(Zn-O) = 1.8028 Å, r(e)(O-H) = 0.9606 Å, and ∠e(Zn-O-H) = 114.9°. The Zn-O bond is essentially ionic, with appreciable covalency. The bonding character is compared with those of FeOH (quasi-linear) and CsOH (linear). The rovibrationally averaged structural parameters, determined as expectation values over MORBID wavefunctions, are ⟨r(Zn-O)⟩0 = 1.8078 Å, ⟨r(O-H)⟩0 = 0.9778 Å, and ⟨∠(Zn-O-H)⟩0 = 117°. The Yamada-Winnewisser quasi-linearity parameter is found to be γ0 = 0.84, which is close to 1.0 as expected for a bent molecule. Since no experimental rovibrational spectrum has been reported thus far, this spectrum has been simulated from the ab initio potential energy and dipole moment surfaces. The amphoteric character of ZnOH is also discussed.

Molecular structure and spectroscopic characterization of Carbamazepine with experimental techniques and DFT quantum chemical calculations.

PubMed

Suhasini, M; Sailatha, E; Gunasekaran, S; Ramkumaar, G R

2015-04-15

A systematic vibrational spectroscopic assignment and analysis of Carbamazepine has been carried out by using FT-IR, FT-Raman and UV spectral data. The vibrational analysis were aided by electronic structure calculations - ab initio (RHF) and hybrid density functional methods (B3LYP) performed with standard basis set 6-31G(d,p). Molecular equilibrium geometries, electronic energies, natural bond order analysis, harmonic vibrational frequencies and IR intensities have been computed. A detailed interpretation of the vibrational spectra of the molecule has been made on the basis of the calculated Potential Energy Distribution (PED) by VEDA program. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO and LUMO energies and λmax were determined by HF/6-311++G(d,p) Time-Dependent method. The thermodynamic functions of the title molecule were also performed using the RHF and DFT methods. The restricted Hartree-Fock and density functional theory-based nuclear magnetic resonance (NMR) calculation procedure was also performed, and it was used for assigning the (13)C and (1)H NMR chemical shifts of Carbamazepine. Copyright © 2015 Elsevier B.V. All rights reserved.

FT-Raman, FT-IR and UV-visible spectral investigations and ab initio computations of anti-epileptic drug: vigabatrin.

PubMed

Edwin, Bismi; Joe, I Hubert

2013-10-01

Vibrational analysis of anti-epileptic drug vigabatrin, a structural GABA analog was carried out using NIR FT-Raman and FTIR spectroscopic techniques. The equilibrium geometry, various bonding features and harmonic vibrational wavenumbers were studied using density functional theory method. The detailed interpretation of the vibrational spectra has been carried out with the aid of VEDA.4 program. Vibrational spectra, natural bond orbital analysis and optimized molecular structure show clear evidence for the effect of electron charge transfer on the activity of the molecule. Predicted electronic absorption spectrum from TD-DFT calculation has been compared with the UV-vis spectrum. The Mulliken population analysis on atomic charges and the HOMO-LUMO energy were also calculated. Good consistency is found between the calculated results and experimental data for the electronic absorption as well as IR and Raman spectra. The blue-shifting of the C-C stretching wavenumber reveals that the vinyl group is actively involved in the conjugation path. The NBO analysis confirms the occurrence of intramolecular hyperconjugative interactions resulting in ICT causing stabilization of the system. Copyright © 2013 Elsevier B.V. All rights reserved.

Low-energy electron diffraction study of Si(111)-(√3x √3)R30∘ -B

NASA Astrophysics Data System (ADS)

Marino, K. E.; Huang, Y. T.; Diehl, R. D.; Tu, Weison; Mulugeta, Daniel; Snijders, P. C.; Weitering, H. H.

2014-03-01

Metal-semiconductor interfaces are important for the function and manufacture of advanced electronics, such as those used in computers, tablets and phones. They also exhibit many interesting physical phenomena that are interesting from a fundamental point of view, including exotic phases and phase transitions. This study involves the analysis and modeling of the surface structure of a thin film of boron on the Si(111) surface. The addition of metal atoms to the surface of Si(111) simplifies its structure by removing a ``rippling'' that is present on the clean surface. The low-energy electron diffraction (LEED) data were measured at a surface temperature of 80 K at ORNL. The LEED analysis utilized the SATLEED analysis programs. The results are similar to those obtained in an earlier LEED study for this interface, but the precision is higher due to the larger dataset employed., The results of this study will be compared to other studies of this and similar systems. We acknowledge the Eberly College of Science for funding this project. González, Guo, Ortega, Flores, Weitering. Phys. Rev. Lett. 102, 115501 (2009)

77 FR 10373 - Greenhouse Gas Reporting Program: Electronics Manufacturing: Revisions to Heat Transfer Fluid...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-02-22

... Greenhouse Gas Reporting Program: Electronics Manufacturing: Revisions to Heat Transfer Fluid Provisions... technical revisions to the electronics manufacturing source category of the Greenhouse Gas Reporting Rule... related to the electronics manufacturing source category. DATES: This rule will be effective on March 23...

Microgravity Science and Applications Program tasks, 1987 revision

NASA Technical Reports Server (NTRS)

1988-01-01

A compilation is presented of the active research tasks as of the end of the FY87 of the Microgravity Science and Applications Program, NASA-Office of Space Science and Applications, involving several NASA centers and other organizations. An overview is provided of the program scope for managers and scientists in industry, university, and government communities. An introductory description is provided of the program along with the strategy and overall goal, identification of the organizational structures and people involved, and a description of each task. A list of recent publications is also provided. The tasks are grouped into six major categories: Electronic Materials; Solidification of Metals, Alloys, and Composites; Fluid Dynamics and Transport Phenomena; Biotechnology; Glasses and Ceramics; and Combustion. Other categories include Experimental Technology, General Studies and Surveys; Foreign Government Affiliations; Industrial Affiliations; and Physics and Chemistry Experiments (PACE). The tasks are divided into ground based and flight experiments.

Numerical method for solution of systems of non-stationary spatially one-dimensional nonlinear differential equations

NASA Technical Reports Server (NTRS)

Morozov, S. K.; Krasitskiy, O. P.

1978-01-01

A computational scheme and a standard program is proposed for solving systems of nonstationary spatially one-dimensional nonlinear differential equations using Newton's method. The proposed scheme is universal in its applicability and its reduces to a minimum the work of programming. The program is written in the FORTRAN language and can be used without change on electronic computers of type YeS and BESM-6. The standard program described permits the identification of nonstationary (or stationary) solutions to systems of spatially one-dimensional nonlinear (or linear) partial differential equations. The proposed method may be used to solve a series of geophysical problems which take chemical reactions, diffusion, and heat conductivity into account, to evaluate nonstationary thermal fields in two-dimensional structures when in one of the geometrical directions it can take a small number of discrete levels, and to solve problems in nonstationary gas dynamics.

Microgravity Science and Applications Program tasks, 1988 revision

NASA Technical Reports Server (NTRS)

1989-01-01

The active research tasks as of the end of the fiscal year 1988 of the Microgravity Science and Applications Program, NASA-Office of Space Science and Applications, involving several NASA centers and other organizations are compiled. The purpose is to provide an overview of the program scope for managers and scientists in industry, university, and government communities. Also included are an introductory description of the program, the strategy and overall goal, identification of the organizational structures and people involved, and a description of each task. A list of recent publications is provided. The tasks are grouped into six major categories: electronic materials; solidification of metals, alloys, and composites; fluid dynamics and transport phenomena; biotechnology; glasses and ceramics; and combustion. Other categories include experimental technology, general studies and surveys; foreign government affiliations; industrial affiliations; and Physics And Chemistry Experiments (PACE). The tasks are divided into ground-based and flight experiments.

Conceptual design and structural analysis of the spectroscopy of the atmosphere using far infrared emission (SAFIRE) instrument

NASA Technical Reports Server (NTRS)

Moses, Robert W.; Averill, Robert D.

1992-01-01

The conceptual design and structural analysis for the Spectroscopy of the Atmosphere using Far Infrared Emission (SAFIRE) Instrument are provided. SAFIRE, which is an international effort, is proposed for the Earth Observing Systems (EOS) program for atmospheric ozone studies. A concept was developed which meets mission requirements and is the product of numerous parametric studies and design/analysis iterations. Stiffness, thermal stability, and weight constraints led to a graphite/epoxy composite design for the optical bench and supporting struts. The structural configuration was determined by considering various mounting arrangements of the optical, cryo, and electronic components. Quasi-static, thermal, modal, and dynamic response analyses were performed, and the results are presented for the selected configuration.

Three-Dimensional Printed Poly(vinyl alcohol) Substrate with Controlled On-Demand Degradation for Transient Electronics.

PubMed

Yoon, Jinsu; Han, Jungmin; Choi, Bongsik; Lee, Yongwoo; Kim, Yeamin; Park, Jinhee; Lim, Meehyun; Kang, Min-Ho; Kim, Dae Hwan; Kim, Dong Myong; Kim, Sungho; Choi, Sung-Jin

2018-05-25

Electronics that degrade after stable operation for a desired operating time, called transient electronics, are of great interest in many fields, including biomedical implants, secure memory devices, and environmental sensors. Thus, the development of transient materials is critical for the advancement of transient electronics and their applications. However, previous reports have mostly relied on achieving transience in aqueous solutions, where the transience time is largely predetermined based on the materials initially selected at the beginning of the fabrication. Therefore, accurate control of the transience time is difficult, thereby limiting their application. In this work, we demonstrate transient electronics based on a water-soluble poly(vinyl alcohol) (PVA) substrate on which carbon nanotube (CNT)-based field-effect transistors were fabricated. We regulated the structural parameters of the PVA substrate using a three-dimensional (3D) printer to accurately control and program the transience time of the PVA substrate in water. The 3D printing technology can produce complex objects directly, thus enabling the efficient fabrication of a transient substrate with a prescribed and controlled transience time. In addition, the 3D printer was used to develop a facile method for the selective and partial destruction of electronics.

Mechanism for odd-electron anion generation of dihydroxybenzoic acid isomers in matrix-assisted laser desorption/ionization mass spectrometry with density functional theory calculations.

PubMed

Yamagaki, Tohru; Takeuchi, Michika; Watanabe, Takehiro; Sugahara, Kohtaro; Takeuchi, Takae

2016-12-30

Proton and radical are transferred between matrices and matrix and analyte in matrix-assisted laser desorption/ionization (MALDI) and these transfers drive ionization of analytes. The odd-electron anion [M-2H] •- was generated in dihydroxybenzoic acids (DHBs) and the ion abundance of the 2,5-DHB was the highest among six DHB isomers. We were interested in the mechanism of the ion generation of the odd-electron anion. The observed [M-2H] •- and [M-3H] - ions, which were generated with the hydrogen radical removed from the phenolic hydroxyl groups (OH) in DHB isomers, were analyzed using negative-ion MALDI-MS. The enthalpy for ion generation and their stable structures were calculated using the density functional theory (DFT) calculation program Gaussian 09 with the B3LYP functional and the 6-31+G(d) basis set. The number of observed [M-2H] •- and [M-3H] - ions of the DHB isomers was dependent on the positions of the phenolic OH groups in the DHB isomers because the carboxy group interacts with the ortho OH group due to neighboring group participation, as confirmed from the stable structures of the [M-2H] •- anions calculated with the Gaussian 09 program. The DHB isomers were placed into three categories according to the number of the ions. Odd-electron anions ([M-2H] •- ) and [M-2H • -H] - ([M-3H] - ) ions were generated from DHB isomers due to removal of the hydrogen radical from the phenolic groups. The enthalpy for ion generation revealed that ion formation proceeds via a two-step pathway through the [M-M] - ion as an intermediate. © 2016 The Authors. Rapid Communications in Mass Spectrometry Published by John Wiley & Sons Ltd. © 2016 The Authors. Rapid Communications in Mass Spectrometry Published by John Wiley & Sons Ltd.

Quantum mechanical and spectroscopic (FT-IR, 13C, 1H NMR and UV) investigations of 2-(5-(4-Chlorophenyl)-3-(pyridin-2-yl)-4,5-dihydropyrazol-1-yl)benzo[d]thiazole by DFT method

NASA Astrophysics Data System (ADS)

Diwaker

2014-07-01

The electronic, NMR, vibrational, structural properties of a new pyrazoline derivative: 2-(5-(4-Chlorophenyl)-3-(pyridine-2-yl)-4,5-dihydropyrazol-1-yl)benzo[d]thiazole has been studied using Gaussian 09 software package. Using VEDA 4 program we have reported the PED potential energy distribution of normal mode of vibrations of the title compound. We have also reported the 1H and 13C NMR chemical shifts of the title compound using B3LYP level of theory with 6-311++G(2d,2p) basis set. Using time dependent (TD-DFT) approach electronic properties such as HOMO and LUMO energies, electronic spectrum of the title compound has been studied and reported. NBO analysis and MEP surface mapping has also been calculated and reported using ab initio methods.

Applications of Electronic Health Information in Public Health: Uses, Opportunities & Barriers

PubMed Central

Tomines, Alan; Readhead, Heather; Readhead, Adam; Teutsch, Steven

2013-01-01

Electronic health information systems can reshape the practice of public health including public health surveillance, disease and injury investigation and control, decision making, quality assurance, and policy development. While these opportunities are potentially transformative, and the federal program for the Meaningful Use (MU) of electronic health records (EHRs) has included important public health components, significant barriers remain. Unlike incentives in the clinical care system, scant funding is available to public health departments to develop the necessary information infrastructure and workforce capacity to capitalize on EHRs, personal health records, or Big Data. Current EHR systems are primarily built to serve clinical systems and practice rather than being structured for public health use. In addition, there are policy issues concerning how broadly the data can be used by public health officials. As these issues are resolved and workable solutions emerge, they should yield a more efficient and effective public health system. PMID:25848571

Modeling of Diamond Field-Emitter-Arrays for high brightness photocathode applications

NASA Astrophysics Data System (ADS)

Kwan, Thomas; Huang, Chengkun; Piryatinski, Andrei; Lewellen, John; Nichols, Kimberly; Choi, Bo; Pavlenko, Vitaly; Shchegolkov, Dmitry; Nguyen, Dinh; Andrews, Heather; Simakov, Evgenya

2017-10-01

We propose to employ Diamond Field-Emitter-Arrays (DFEAs) as high-current-density ultra-low-emittance photocathodes for compact laser-driven dielectric accelerators capable of generating ultra-high brightness electron beams for advanced applications. We develop a semi-classical Monte-Carlo photoemission model for DFEAs that includes carriers' transport to the emitter surface and tunneling through the surface under external fields. The model accounts for the electronic structure size quantization affecting the transport and tunneling process within the sharp diamond tips. We compare this first principle model with other field emission models, such as the Child-Langmuir and Murphy-Good models. By further including effects of carrier photoexcitation, we perform simulations of the DFEAs' photoemission quantum yield and the emitted electron beam. Details of the theoretical model and validation against preliminary experimental data will be presented. Work ssupported by LDRD program at LANL.

High-level spacecraft charging in the low-altitude polar auroral environment

NASA Astrophysics Data System (ADS)

Gussenhoven, M. S.; Hardy, D. A.; Rich, F.; Burke, W. J.; Yeh, H.-C.

1985-11-01

Regions of intense keV electron precipitation, such as inverted-V structures, at times colocate with ionospheric plasma depletion regions in the high-latitude polar ionosphere. When Defense Meteorological Satellite Program (DMSP) F6 and F7 satellites, at 840 km, enter these regions in darkness, ion signatures of high spacecraft-to-ambient plasma potential differences (several hundred volts negative) are observed with the new SSJ/4 ion detectors. A systematic survey of charging events and the environment in which they occur was made using the DMSP F6 and F7 precipitating ion and electron detectors, the SSIE thermal plasma probes, and the SSM (F7 only) vector magnetometer. The charging events of November 26, 1983, are analyzed in detail since they occurred on both satellites. Critical levels of number flux and average energy for the precipitating electrons, and the threshold density of the thermal ionospheric ions are defined for different levels of spacecraft charging.

Staffing and structure of infection prevention and control programs.

PubMed

Stone, Patricia W; Dick, Andrew; Pogorzelska, Monika; Horan, Teresa C; Furuya, E Yoko; Larson, Elaine

2009-06-01

The nature of infection prevention and control is changing; however, little is known about current staffing and structure of infection prevention and control programs. Our objectives were to provide a snapshot of the staffing and structure of hospital-based infection prevention and control programs in the United States. A Web-based survey was sent to 441 hospitals that participate in the National Healthcare Safety Network. The response rate was 66% (n = 289); data were examined on 821 professionals. Infection preventionist (IP) staffing was significantly negatively related to bed size, with higher staffing in smaller hospitals (P < .001). Median staffing was 1 IP per 167 beds. Forty-seven percent of IPs were certified, and 24 percent had less than 2 years of experience. Most directors or hospital epidemiologists were reported to have authority to close beds for outbreaks always or most of the time (n = 225, 78%). Only 32% (n = 92) reported using an electronic surveillance system to track infections. This study is the first to provide a comprehensive description of current infection prevention and control staffing, organization, and support in a select group of hospitals across the nation. Further research is needed to identify effective staffing levels for various hospital types as well as examine how the IP role is changing over time.

Staffing and structure of infection prevention and control programs

PubMed Central

Stone, Patricia W.; Dick, Andrew; Pogorzelska, Monika; Horan, Teresa C.; Furuya, E. Yoko; Larson, Elaine

2009-01-01

Background The nature of infection prevention and control is changing; however, little is known about current staffing and structure of infection prevention and control programs. Methods Our objectives were to provide a snapshot of the staffing and structure of hospital-based infection prevention and control programs in the United States. A Web-based survey was sent to 441 hospitals that participate in the National Healthcare Safety Network. Results The response rate was 66% (n = 289); data were examined on 821 professionals. Infection preventionist (IP) staffing was significantly negatively related to bed size, with higher staffing in smaller hospitals (P < .001). Median staffing was 1 IP per 167 beds. Forty-seven percent of IPs were certified, and 24 percent had less than 2 years of experience. Most directors or hospital epidemiologists were reported to have authority to close beds for outbreaks always or most of the time (n = 225, 78%). Only 32% (n = 92) reported using an electronic surveillance system to track infections. Conclusion This study is the first to provide a comprehensive description of current infection prevention and control staffing, organization, and support in a select group of hospitals across the nation. Further research is needed to identify effective staffing levels for various hospital types as well as examine how the IP role is changing over time. PMID:19201510

Intelligent Propulsion System Foundation Technology: Summary of Research

NASA Technical Reports Server (NTRS)

Williams, James C.

2004-01-01

The purpose of this cooperative agreement was to develop a foundation of intelligent propulsion technologies for NASA and industry that will have an impact on safety, noise, emissions and cost. These intelligent engine technologies included sensors, electronics, communications, control logic, actuators, and smart materials and structures. Furthermore this cooperative agreement helped prepare future graduates to develop the revolutionary intelligent propulsion technologies that will be needed to ensure pre-eminence of the U.S. aerospace industry. The program consisted of three primary research areas (and associated work elements at Ohio universities): 1.0 Turbine Engine Prognostics, 2.0 Active Controls for Emissions and Noise Reduction, and 3.0 Active Structural Controls.

An improved design method for EPC middleware

NASA Astrophysics Data System (ADS)

Lou, Guohuan; Xu, Ran; Yang, Chunming

2014-04-01

For currently existed problems and difficulties during the small and medium enterprises use EPC (Electronic Product Code) ALE (Application Level Events) specification to achieved middleware, based on the analysis of principle of EPC Middleware, an improved design method for EPC middleware is presented. This method combines the powerful function of MySQL database, uses database to connect reader-writer with upper application system, instead of development of ALE application program interface to achieve a middleware with general function. This structure is simple and easy to implement and maintain. Under this structure, different types of reader-writers added can be configured conveniently and the expandability of the system is improved.

Risk Management of Microelectronics: The NASA Electronic Parts and Packaging (NEPP) Program

NASA Technical Reports Server (NTRS)

LaBel, Kenneth A.; Sampson, Michael J.

2005-01-01

This viewgraph information provides information on how the NASA Electronic Parts and Packaging (NEPP) Program evaluates the reliability of technologies for Electrical, Electronic, and Electromechanical (EEE) parts, and their suitability for spacecraft applications.

Evaluation of Arabic Language Learning Program for Non-Native Speakers in Saudi Electronic University According to Total Quality Standards

ERIC Educational Resources Information Center

Alowaydhi, Wafa Hafez

2016-01-01

The current study aimed at standardizing the program of learning Arabic for non-native speakers in Saudi Electronic University according to certain standards of total quality. To achieve its purpose, the study adopted the descriptive analytical method. The author prepared a measurement tool for evaluating the electronic learning programs in light…

An Investigation of the Effectiveness of Four-Year Industrial Technology Programs In Preparing Industrial Electronic Technicians to Meet the Requirements of Industry.

ERIC Educational Resources Information Center

Prewitt, Roger W.

To determine the effectiveness of the 4-year industrial technology programs in preparing industrial electronic technicians for employment in industry, data were obtained through an opinionnaire, which was sent to the higher education institutions offering a 4-year electronic technician program and to selected industrial representatives located in…

The VEPP-2000 electron-positron collider: First experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berkaev, D. E., E-mail: D.E.Berkaev@inp.nsk.su; Shwartz, D. B.; Shatunov, P. Yu.

2011-08-15

In 2007, at the Institute of Nuclear Physics (Novosibirsk), the construction of the VEPP-2000 electron-positron collider was completed. The first electron beam was injected into the accelerator structure with turned-off solenoids of the final focus. This mode was used to tune all subsystems of the facility and to train the vacuum chamber using synchrotron radiation at electron currents of up to 150 mA. The VEPP-2000 structure with small beta functions and partially turned-on solenoids was used for the first testing of the 'round beams' scheme at an energy of 508 MeV. Beam-beam effects were studied in strong-weak and strong-strong modes.more » Measurements of the beam sizes in both cases showed a dependence corresponding to model predictions for round colliding beams. Using a modernized SND (spherical neutral detector), the first energy calibration of the VEPP-2000 collider was performed by measuring the excitation curve of the phimeson resonance; the phi-meson mass is known with high accuracy from previous experiments at VEEP-2M. In October 2009, a KMD-3 (cryogenic magnetic detector) was installed at the VEPP-2000 facility, and the physics program with both the SND and LMD-3 particle detectors was started in the energy range of 1-1.9 GeV. This first experimental season was completed in summer 2010 with precision energy calibration by resonant depolarization.« less

Dual Target Design for CLAS12

NASA Astrophysics Data System (ADS)

Alam, Omair; Gilfoyle, Gerard; Christo, Steve

2015-10-01

An experiment to measure the neutron magnetic form factor (GnM) is planned for the new CLAS12 detector in Hall B at Jefferson Lab. This form factor will be extracted from the ratio of the quasielastic electron-neutron to electron-proton scattering off a liquid deuterium (LD2) target. A collinear liquid hydrogen (LH2) target will be used to measure efficiencies at the same time as production data is collected from the LD2 target. To test target designs we have simulated CLAS12 and the target geometry. Electron-nucleon events are produced first with the QUasiElastic Event Generator (QUEEG) which models the internal motion of the nucleons in deuterium.1 The results are used as input to the CLAS12 Monte Caro code gemc; a Geant4-based program that simulates the particle's interactions with each component of CLAS12 including the target material. The dual target geometry has been added to gemc including support structures and cryogenic transport systems. A Perl script was written to define the target materials and geometries. The output of the script is a set of database entries read by gemc at runtime. An initial study of the impact of this dual-target structure revealed limited effects on the electron momentum and angular resolutions. Work supported by the University of Richmond and the US Department of Energy.

PREFACE: Editorial

NASA Astrophysics Data System (ADS)

Strikhanov, Mikhail N.; Pivovarov, Yury L.

2010-04-01

This volume contains the papers presented at 8th International Symposium on Radiation from Relativistic Electrons in Periodic Structures (RREPS'09), which was held in Zvenigorod, Moscow Region, Russia, from 7 to 11 September 2009, organized jointly by National Research Nuclear University MEPhI (Moscow) and Tomsk Polytechnic University (Tomsk), Russia. University MEPhI (Moscow) and Tomsk Polytechnic University (Tomsk), Russia. RREPS was founded in September 1993 by an initiative of the Nuclear Physics Institute at Tomsk Polytechnic University, Russia, with the intention of strengthening basic and applied research focused on radiation from relativistic particles in natural and artificial periodic structures. Since then, the symposium has developed into a forum attracting scientists from different fields and from many countries all over the world. RREPS'09 followed previous successful series of biennial RREPS symposia at Tomsk (1993, 1995, 1997, 2003), Baikal Lake (1999), Aya Lake (Altai, Russia, 2001) and Czech Technical University in Prague (Czech Republic, 2007). Five NIMB topical issues (V 145 No 1-2, October 1998; V 173 No 1-2, January 2001; V 201(1) January 2003; V 227, Issues 1-2, January 2005; V 266, Issue 17, September 2008) have been published as outgrowth of these symposia. Traditionally, the RREPS program includes following topics: General Properties of Electromagnetic Radiation from Relativistic Particles Transition Radiation Parametric X- Radiation Diffraction Radiation and Smith-Purcell Effect Coherent Bremsstrahlung and Channeling Radiation Crystal- Assisted Processes Applications of Monochromatic X- and Gamma- Beams Produced at Electron Accelerators The present RREPS'09 Symposium was dedicated to the modern problems in radiation from relativistic electrons in crystals and other periodic structures, as well as to new applications of photon and electron beams. During the last few decades, electromagnetic radiation from relativistic particles, both in external fields and in matter, has always been an interesting field for investigation. Every kind of radiation reflects specific processes of fundamental atomic physics, classical or quantum electrodynamics and might have specific applications in accelerator physics (beam diagnostics), nuclear physics (hard photon sources), material science and medicine (X-Ray sources). Nowadays, electromagnetic radiation studies cover electron energies from a few MeV up to hundreds of GeV in many laboratories throughout the world. The goal is to study the physics of generation of various kinds of radiation and their interplay or combined effects and to find successful applications for them. New photon sources, which use new types of radiation at new accelerators (e.g. tabletop synchrotrons), may be considered complementary to conventional photon sources based on synchrotron radiation, undulator radiation and free electron lasers. We express our thanks to the members of the International Program Committee for their suggestions during the preparation of the scientific program of the workshop. We warmly thank the National Research Nuclear University MEPhI (Moscow) and the Tomsk Polytechnic University (Tomsk) for the financial and administrative support. We also acknowledge the valuable financial contributions by Russian Fund for Basic Research and "Dynasty" Foundation. Editors Mikhail N. Strikhanov National Research Nuclear University MEPhI, Moscow, Russia Yury L. Pivovarov Tomsk Polytechnic University, Tomsk, Russia

Electronic structure and bonding of intergranular glassy films in polycrystalline Si3 N4 : Ab initio studies and classical molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Rulis, P.; Chen, J.; Ouyang, L.; Ching, W.-Y.; Su, X.; Garofalini, S. H.

2005-06-01

The electronic structure and bonding of a realistic model of an intergranular glassy film (IGF) was studied with multiple computational methods. The model has a Si-O-N glassy region sandwiched between crystalline basal planes of β-Si3N4 and contains a total of 798 atoms. It was constructed with periodic boundary conditions via classical molecular dynamics (MD) techniques using an accurate multibody atomic potential. The model was then further relaxed by the VASP (Vienna ab initio simulation package) program. It is shown that the VASP-relaxed structure reduces the total energy from the MD-relaxed structure by only 47.38eV , validating the accuracy of the multiatom potential used. The calculated electronic structure shows the IGF model to be an insulator with a sizable gap of almost 3eV . Quasidefectlike states can be identified near the band edges arising from the more strained Si-N and Si-O bonds at the interface. Calculation of the Mulliken effective charge and bond order values indicates that the bonds in the glassy region and at the interface can be enhanced and weakened by distortions in the bond length and bond angle. The states at the top of the valence band are derived mostly from the crystalline part of the Si-N bonding while the states at the bottom of the conduction band are dominated by the Si-O bonding in the glassy region. Calculation of the electrostatic potential across the interface shows an average band offset of about 1.5eV between the crystalline β-Si3N4 and the glassy Si-O-N region which could be related to the space charge model for IGF.

Analysis of Defense Products Contract Trends, 1990-2014

DTIC Science & Technology

2015-04-30

contract obligations) are not properly classified under their parent programs. Electronics & Communications Contract obligations for Electronics...Electronics & Communications , Engines & Power Plants, Fuels, Ground Vehicles, Launchers & Munitions, Missiles & Space, Ships, and “Other.”3 This...mostly comprised of platforms and programs related to MDAPs (Clothing & Subsistence, Electronics & Communications , Fuels, Launchers & Munitions, and

X-Ray Thomson Scattering Without the Chihara Decomposition

NASA Astrophysics Data System (ADS)

Magyar, Rudolph; Baczewski, Andrew; Shulenburger, Luke; Hansen, Stephanie B.; Desjarlais, Michael P.; Sandia National Laboratories Collaboration

X-Ray Thomson Scattering is an important experimental technique used in dynamic compression experiments to measure the properties of warm dense matter. The fundamental property probed in these experiments is the electronic dynamic structure factor that is typically modeled using an empirical three-term decomposition (Chihara, J. Phys. F, 1987). One of the crucial assumptions of this decomposition is that the system's electrons can be either classified as bound to ions or free. This decomposition may not be accurate for materials in the warm dense regime. We present unambiguous first principles calculations of the dynamic structure factor independent of the Chihara decomposition that can be used to benchmark these assumptions. Results are generated using a finite-temperature real-time time-dependent density functional theory applied for the first time in these conditions. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Security Administration under contract DE-AC04-94AL85000.

GenLocDip: A Generalized Program to Calculate and Visualize Local Electric Dipole Moments.

PubMed

Groß, Lynn; Herrmann, Carmen

2016-09-30

Local dipole moments (i.e., dipole moments of atomic or molecular subsystems) are essential for understanding various phenomena in nanoscience, such as solvent effects on the conductance of single molecules in break junctions or the interaction between the tip and the adsorbate in atomic force microscopy. We introduce GenLocDip, a program for calculating and visualizing local dipole moments of molecular subsystems. GenLocDip currently uses the Atoms-In-Molecules (AIM) partitioning scheme and is interfaced to various AIM programs. This enables postprocessing of a variety of electronic structure output formats including cube and wavefunction files, and, in general, output from any other code capable of writing the electron density on a three-dimensional grid. It uses a modified version of Bader's and Laidig's approach for achieving origin-independence of local dipoles by referring to internal reference points which can (but do not need to be) bond critical points (BCPs). Furthermore, the code allows the export of critical points and local dipole moments into a POVray readable input format. It is particularly designed for fragments of large systems, for which no BCPs have been calculated for computational efficiency reasons, because large interfragment distances prevent their identification, or because a local partitioning scheme different from AIM was used. The program requires only minimal user input and is written in the Fortran90 programming language. To demonstrate the capabilities of the program, examples are given for covalently and non-covalently bound systems, in particular molecular adsorbates. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Vibration suppression using a proofmass actuator operating in stroke/force saturation

NASA Technical Reports Server (NTRS)

Lindner, D. K.; Celano, T. P.; Ide, E. N.

1991-01-01

The design of the control-loop structure for a feedback control system which contains a proofmass actuator for suppressing vibration is discussed. The loop structure is composed of inner control loops, which determine the frequency of the actuator and which are directly related to the actuator and the outer loops which add damping to the structure. When the frequency response of the actuator is matched to the stroke/force saturation curve, the actuator is most effective in the vibration suppression loops, and, since the stroke/force saturation curve is characterized by the stroke length, the mass of the proofmass, and the maximum current delivered by the motor electronics, the size of the actuator can be easily determined. The results of the loop-structure model calculations are verified by examining linear DC motors as proofmass actuators for the Mast in NASA's Control of Flexible Structures program.

Protocols for self-assembly and imaging of DNA nanostructures.

PubMed

Sobey, Thomas L; Simmel, Friedrich C

2011-01-01

Programed molecular structures allow us to research and make use of physical, chemical, and biological effects at the nanoscale. They are an example of the "bottom-up" approach to nanotechnology, with structures forming through self-assembly. DNA is a particularly useful molecule for this purpose, and some of its advantages include parallel (as opposed to serial) assembly, naturally occurring "tools," such as enzymes and proteins for making modifications and attachments, and structural dependence on base sequence. This allows us to develop one, two, and three dimensional structures that are interesting for their fundamental physical and chemical behavior, and for potential applications such as biosensors, medical diagnostics, molecular electronics, and efficient light-harvesting systems. We describe five techniques that allow one to assemble and image such structures: concentration measurement by ultraviolet absorption, titration gel electrophoresis, thermal annealing, fluorescence microscopy, and atomic force microscopy in fluids.

Learner perception of oral and written examinations in an international medical training program

PubMed Central

Weiner, Scott G.; Anderson, Philip D.; Irish, Julie; Ciottone, Greg; Pini, Riccardo; Grifoni, Stefano; Rosen, Peter; Ban, Kevin M.

2010-01-01

Background There are an increasing number of training programs in emergency medicine involving different countries or cultures. Many examination types, both oral and written, have been validated as useful assessment tools around the world; but learner perception of their use in the setting of cross-cultural training programs has not been described. Aims The goal of this study was to evaluate learner perception of four common examination methods in an international educational curriculum in emergency medicine. Methods Twenty-four physicians in a cross-cultural training program were surveyed to determine learner perception of four different examination methods: structured oral case simulations, multiple-choice tests, semi-structured oral examinations, and essay tests. We also describe techniques used and barriers faced. Results There was a 100% response rate. Learners reported that all testing methods were useful in measuring knowledge and clinical ability and should be used for accreditation and future training programs. They rated oral examinations as significantly more useful than written in measuring clinical abilities (p < 0.01). Compared to the other three types of examinations, learners ranked oral case simulations as the most useful examination method for assessing learners’ fund of knowledge and clinical ability (p < 0.01). Conclusions Physician learners in a cross-cultural, international training program perceive all four written and oral examination methods as useful, but rate structured oral case simulations as the most useful method for assessing fund of knowledge and clinical ability. Electronic supplementary material The online version of this article (doi:10.1007/s12245-009-0147-2) contains supplementary material, which is available to authorized users. PMID:20414377

Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis

NASA Astrophysics Data System (ADS)

Suzuki, Shin; Segawa, Yasutomo; Itami, Kenichiro; Yamaguchi, Junichiro

2015-03-01

Since its discovery in 1825, benzene has served as one of the most used and indispensable building blocks of chemical compounds, ranging from pharmaceuticals and agrochemicals to plastics and those used in organic electronic devices. Benzene has six hydrogen atoms that can each be replaced by different substituents, which means that the structural diversity of benzene derivatives is intrinsically extraordinary. The number of possible substituted benzenes from n different substituents is (2n + 2n2 + 4n3 + 3n4 + n6)/12. However, owing to a lack of general synthetic methods for making multisubstituted benzenes, this potentially huge structural diversity has not been fully exploited. Here, we describe a programmed synthesis of hexaarylbenzenes using C-H activation, cross-coupling and [4+2] cycloaddition reactions. The present method allows for the isolation and structure-property characterization of hexaarylbenzenes with distinctive aryl substituents at all positions for the first time. Moreover, the established protocol can be applied to the synthesis of tetraarylnaphthalenes and pentaarylpyridines.

An Update on the NASA Planetary Science Division Research and Analysis Program

NASA Astrophysics Data System (ADS)

Richey, Christina; Bernstein, Max; Rall, Jonathan

2015-01-01

Introduction: NASA's Planetary Science Division (PSD) solicits its Research and Analysis (R&A) programs each year in Research Opportunities in Space and Earth Sciences (ROSES). Beginning with the 2014 ROSES solicitation, PSD will be changing the structure of the program elements under which the majority of planetary science R&A is done. Major changes include the creation of five core research program elements aligned with PSD's strategic science questions, the introduction of several new R&A opportunities, new submission requirements, and a new timeline for proposal submissionROSES and NSPIRES: ROSES contains the research announcements for all of SMD. Submission of ROSES proposals is done electronically via NSPIRES: http://nspires.nasaprs.com. We will present further details on the proposal submission process to help guide younger scientists. Statistical trends, including the average award size within the PSD programs, selections rates, and lessons learned, will be presented. Information on new programs will also be presented, if available.Review Process and Volunteering: The SARA website (http://sara.nasa.gov) contains information on all ROSES solicitations. There is an email address (SARA@nasa.gov) for inquiries and an area for volunteer reviewers to sign up. The peer review process is based on Scientific/Technical Merit, Relevance, and Level of Effort, and will be detailed within this presentation.ROSES 2014 submission changes: All PSD programs will use a two-step proposal submission process. A Step-1 proposal is required and must be submitted electronically by the Step-1 due date. The Step-1 proposal should include a description of the science goals and objectives to be addressed by the proposal, a brief description of the methodology to be used to address the science goals and objectives, and the relevance of the proposed research to the call submitted to.Additional Information: Additional details will be provided on the Cassini Data Analysis Program, the Exoplanets Research program and Discovery Data Analysis Program, for which Dr. Richey is the Lead Program Officer.

Advancing MEMS Technology Usage through the MUMPS (Multi-User MEMS Processes) Program

NASA Technical Reports Server (NTRS)

Koester, D. A.; Markus, K. W.; Dhuler, V.; Mahadevan, R.; Cowen, A.

1995-01-01

In order to help provide access to advanced micro-electro-mechanical systems (MEMS) technologies and lower the barriers for both industry and academia, the Microelectronic Center of North Carolina (MCNC) and ARPA have developed a program which provides users with access to both MEMS processes and advanced electronic integration techniques. The four distinct aspects of this program, the multi-user MEMS processes (MUMP's), the consolidated micro-mechanical element library, smart MEMS, and the MEMS technology network are described in this paper. MUMP's is an ARPA-supported program created to provide inexpensive access to MEMS technology in a multi-user environment. It is both a proof-of-concept and educational tool that aids in the development of MEMS in the domestic community. MUMP's technologies currently include a 3-layer poly-silicon surface micromachining process and LIGA (lithography, electroforming, and injection molding) processes that provide reasonable design flexibility within set guidelines. The consolidated micromechanical element library (CaMEL) is a library of active and passive MEMS structures that can be downloaded by the MEMS community via the internet. Smart MEMS is the development of advanced electronics integration techniques for MEMS through the application of flip chip technology. The MEMS technology network (TechNet) is a menu of standard substrates and MEMS fabrication processes that can be purchased and combined to create unique process flows. TechNet provides the MEMS community greater flexibility and enhanced technology accessibility.

Development of the field of structural physiology

PubMed Central

FUJIYOSHI, Yoshinori

2015-01-01

Electron crystallography is especially useful for studying the structure and function of membrane proteins — key molecules with important functions in neural and other cells. Electron crystallography is now an established technique for analyzing the structures of membrane proteins in lipid bilayers that closely simulate their natural biological environment. Utilizing cryo-electron microscopes with helium-cooled specimen stages that were developed through a personal motivation to understand the functions of neural systems from a structural point of view, the structures of membrane proteins can be analyzed at a higher than 3 Å resolution. This review covers four objectives. First, I introduce the new research field of structural physiology. Second, I recount some of the struggles involved in developing cryo-electron microscopes. Third, I review the structural and functional analyses of membrane proteins mainly by electron crystallography using cryo-electron microscopes. Finally, I discuss multifunctional channels named “adhennels” based on structures analyzed using electron and X-ray crystallography. PMID:26560835

Enhancing 4-propylheptane dissociation with nickel nanocluster based on molecular dynamics simulations.

PubMed

Ilyina, Margarita G; Khamitov, Edward M; Galiakhmetov, Rail N; Mustafin, Ildar A; Mustafin, Akhat G

2017-03-01

In the present work, a 0.4nm nickel cluster has been theoretically studied. Its equilibrium structural parameters have been calculated by the DFT method based on the PBEH1PBE hybrid functional and split-valence basis set Lanl2DZ including effective core potentials. We have systematically considered diverse spin states of this cluster and find out its ground state. The relative stability of these states depends on the HOMO-LUMO gap. The interaction of the Ni 6 with 4-propylheptane С 10 Н 22 has been studied to simulate the process of catalytic cracking of hydrocarbons. The optimization of this structure has been performed by the ωPBE/Lanl2DZ_ecp method (the TeraChem V.1.9 program package) with no symmetry restrictions; the electron shells of the metal were described by effective core pseudopotentials. For visualization and quantitative estimation of the bonding bonds between the nickel nanocluster and 4-propylheptane, the analysis of weak interactions based on RGD has been performed. To confirm the proposition about the formation of Ni-H bonds, we have scrutinized critical points of electronic density. Values of laplasian of electronic density and Bader atomic charge distribution in the global minimum of the total energy have been estimated by the AIMAll 15.05.18 program suite. Finally, we have simulated interaction of Ni 6 with 4-propylheptane in terms of the Born-Oppenheimer ab initio molecular dynamics. The results of the molecular dynamics simulation provide pair radial distribution function CH at 1500°C and a detailed picture of the processes occurring in the system. Copyright © 2017 Elsevier Inc. All rights reserved.

Cross-scale efficient tensor contractions for coupled cluster computations through multiple programming model backends

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ibrahim, Khaled Z.; Epifanovsky, Evgeny; Williams, Samuel

Coupled-cluster methods provide highly accurate models of molecular structure through explicit numerical calculation of tensors representing the correlation between electrons. These calculations are dominated by a sequence of tensor contractions, motivating the development of numerical libraries for such operations. While based on matrix–matrix multiplication, these libraries are specialized to exploit symmetries in the molecular structure and in electronic interactions, and thus reduce the size of the tensor representation and the complexity of contractions. The resulting algorithms are irregular and their parallelization has been previously achieved via the use of dynamic scheduling or specialized data decompositions. We introduce our efforts tomore » extend the Libtensor framework to work in the distributed memory environment in a scalable and energy-efficient manner. We achieve up to 240× speedup compared with the optimized shared memory implementation of Libtensor. We attain scalability to hundreds of thousands of compute cores on three distributed-memory architectures (Cray XC30 and XC40, and IBM Blue Gene/Q), and on a heterogeneous GPU-CPU system (Cray XK7). As the bottlenecks shift from being compute-bound DGEMM's to communication-bound collectives as the size of the molecular system scales, we adopt two radically different parallelization approaches for handling load-imbalance, tasking and bulk synchronous models. Nevertheless, we preserve a unified interface to both programming models to maintain the productivity of computational quantum chemists.« less

Cross-scale efficient tensor contractions for coupled cluster computations through multiple programming model backends

DOE PAGES

Ibrahim, Khaled Z.; Epifanovsky, Evgeny; Williams, Samuel; ...

2017-03-08

Coupled-cluster methods provide highly accurate models of molecular structure through explicit numerical calculation of tensors representing the correlation between electrons. These calculations are dominated by a sequence of tensor contractions, motivating the development of numerical libraries for such operations. While based on matrix–matrix multiplication, these libraries are specialized to exploit symmetries in the molecular structure and in electronic interactions, and thus reduce the size of the tensor representation and the complexity of contractions. The resulting algorithms are irregular and their parallelization has been previously achieved via the use of dynamic scheduling or specialized data decompositions. We introduce our efforts tomore » extend the Libtensor framework to work in the distributed memory environment in a scalable and energy-efficient manner. We achieve up to 240× speedup compared with the optimized shared memory implementation of Libtensor. We attain scalability to hundreds of thousands of compute cores on three distributed-memory architectures (Cray XC30 and XC40, and IBM Blue Gene/Q), and on a heterogeneous GPU-CPU system (Cray XK7). As the bottlenecks shift from being compute-bound DGEMM's to communication-bound collectives as the size of the molecular system scales, we adopt two radically different parallelization approaches for handling load-imbalance, tasking and bulk synchronous models. Nevertheless, we preserve a unified interface to both programming models to maintain the productivity of computational quantum chemists.« less

Fundamental Studies and Development of III-N Visible LEDs for High-Power Solid-State Lighting Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dupuis, Russell

The goal of this program is to understand in a fundamental way the impact of strain, defects, polarization, and Stokes loss in relation to unique device structures upon the internal quantum efficiency (IQE) and efficiency droop (ED) of III-nitride (III-N) light-emitting diodes (LEDs) and to employ this understanding in the design and growth of high-efficiency LEDs capable of highly-reliable, high-current, high-power operation. This knowledge will be the basis for our advanced device epitaxial designs that lead to improved device performance. The primary approach we will employ is to exploit new scientific and engineering knowledge generated through the application of amore » set of unique advanced growth and characterization tools to develop new concepts in strain-, polarization-, and carrier dynamics-engineered and low-defect materials and device designs having reduced dislocations and improved carrier collection followed by efficient photon generation. We studied the effects of crystalline defect, polarizations, hole transport, electron-spillover, electron blocking layer, underlying layer below the multiplequantum- well active region, and developed high-efficiency and efficiency-droop-mitigated blue LEDs with a new LED epitaxial structures. We believe new LEDs developed in this program will make a breakthrough in the development of high-efficiency high-power visible III-N LEDs from violet to green spectral region.« less

Personal Electronic Aid for Maintenance

DTIC Science & Technology

1989-03-01

as input to the Department of Defense Computer -Aided Acquisi- tion and Logistics Support program and to the development of the Militarized Electronic...NUMBER ORGANIZATION (If applicable) Bc. ADDRESS (City, State, and ZIP Code) 10. SOURCE OF FUNDING NUMBERS PROGRAM PROJECT TASK WORK UNIT ELEMENT NO. NO...Manpower and Training Technology Development Program . This summary report of the Personal Electronic Aid for Maintenance (PEAM) was prepared by the

Developing Individualized IEP Goals in the Age of Technology: Quality Challenges and Solutions

ERIC Educational Resources Information Center

More, Cori M.; Hart Barnett, Juliet E.

2014-01-01

Many school districts have adopted commercially available software or templates for electronic Individualized Education Program (IEP) development. These programs have useful features that allow Individualized Education Programs to be electronically developed and reliably stored for each student. Although the program features are designed to…

Structural, optoelectronic, and thermoelectric properties of AZn13 (A=Na, K, Ca, Sr, Ba) compounds

NASA Astrophysics Data System (ADS)

Basit, Abdul; Murtaza, G.; Mahmood, Asif; Yar, Abdullah; Muhammad, S.

2016-08-01

We report the structural, electronic, optical, and thermoelectric properties of the five cubic alkali-earth transition-metals AZn13 (A-Na, K, Ca, Sr, Ba) using density functional theory. Structural properties, electronic structures and optical behaviors are calculated explicitly via highly accurate contemporary full potential-linearized augmented plane wave (FP-LAPW) method. The investigated ground state data of these materials is quite close to the experimental information. The modified Becke-Johnson (mBJ) predicts the intermetallic nature of AZn13 (A-Na, K, Ca, Sr, Ba) materials. The complex dielectric function of these intermetallic compounds has been calculated and the observed noticeable peaks are examined through mBJ. With the help of complex dielectric function, the other important optical parameters like reflectivities, conductivities and refractive indices of AZn13 (A-Na, K, Ca, Sr, Ba) have been calculated as a function of energy. The optical response suggests that AZn13 (A-Na, K, Ca, Sr, Ba) compounds can be used for the optoelectronic devices. Further, the thermoelectric properties have been calculated through BoltzTraP program, the calculated values for different thermoelectric parameters recommend that these AZn13 (A-Na, K, Ca, Sr, Ba) materials are the suitable candidates for thermoelectric applications.

Laser printed interconnects for flexible electronics

NASA Astrophysics Data System (ADS)

Pique, Alberto; Beniam, Iyoel; Mathews, Scott; Charipar, Nicholas

Laser-induced forward transfer (LIFT) can be used to generate microscale 3D structures for interconnect applications non-lithographically. The laser printing of these interconnects takes place through aggregation of voxels of either molten metal or dispersed metallic nanoparticles. However, the resulting 3D structures do not achieve the bulk conductivity of metal interconnects of the same cross-section and length as those formed by wire bonding or tab welding. It is possible, however, to laser transfer entire structures using a LIFT technique known as lase-and-place. Lase-and-place allows whole components and parts to be transferred from a donor substrate onto a desired location with one single laser pulse. This talk will present the use of LIFT to laser print freestanding solid metal interconnects to connect individual devices into functional circuits. Furthermore, the same laser can bend or fold the thin metal foils prior to transfer, thus forming compliant 3D structures able to provide strain relief due to flexing or thermal mismatch. Examples of these laser printed 3D metallic bridges and their role in the development of next generation flexible electronics by additive manufacturing will be presented. This work was funded by the Office of Naval Research (ONR) through the Naval Research Laboratory Basic Research Program.

Calculation of sheath and wake structure about a pillbox-shaped spacecraft in a flowing plasma

NASA Technical Reports Server (NTRS)

Parker, L. W.

1977-01-01

A computer program was used for studies of the disturbed zones around bodies in flowing plasmas, particularly spacecraft and their associated sheaths and wakes. The program solved a coupled Poisson-Vlasov system of nonlinear partial differential integral equations to obtain distributions of electric potential and ion and electron density about a finite length cylinder in a plasma flow at arbitrary ion Mach numbers. The approach was applicable to a larger range of parameters than other available approaches. In sample calculations, bodies up to 100 Debye lengths in radius were treated, that is, larger than any previously treated realistically. Applications were made to in-situ satellite experiments.

Synaptic plasticity and oscillation at zinc tin oxide/silver oxide interfaces

NASA Astrophysics Data System (ADS)

Murdoch, Billy J.; McCulloch, Dougal G.; Partridge, James G.

2017-02-01

Short-term plasticity, long-term potentiation, and pulse interval dependent plasticity learning/memory functions have been observed in junctions between amorphous zinc-tin-oxide and silver-oxide. The same junctions exhibited current-controlled negative differential resistance and when connected in an appropriate circuit, they behaved as relaxation oscillators. These oscillators produced voltage pulses suitable for device programming. Transmission electron microscopy, energy dispersive X-ray spectroscopy, and electrical measurements suggest that the characteristics of these junctions arise from Ag+/O- electromigration across a highly resistive interface layer. With memory/learning functions and programming spikes provided in a single device structure, arrays of similar devices could be used to form transistor-free neuromorphic circuits.

An Update on the NASA Planetary Science Division Research and Analysis Program

NASA Astrophysics Data System (ADS)

Bernstein, Max; Richey, Christina; Rall, Jonathan

2015-11-01

Introduction: NASA’s Planetary Science Division (PSD) solicits its research and analysis (R&A) programs each year in Research Opportunities in Space and Earth Sciences (ROSES). Beginning with the 2014 ROSES solicitation, PSD changed the structure of the program elements under which the majority of planetary science R&A is done. Major changes included the creation of five core research program elements aligned with PSD’s strategic science questions, the introduction of several new R&A opportunities, new submission requirements, and a new timeline for proposal submission.ROSES and NSPIRES: ROSES contains the research announcements for all of SMD. Submission of ROSES proposals is done electronically via NSPIRES: http://nspires.nasaprs.com. We will present further details on the proposal submission process to help guide younger scientists. Statistical trends, including the average award size within the PSD programs, selections rates, and lessons learned, will be presented. Information on new programs will also be presented, if available.Review Process and Volunteering: The SARA website (http://sara.nasa.gov) contains information on all ROSES solicitations. There is an email address (SARA@nasa.gov) for inquiries and an area for volunteer reviewers to sign up. The peer review process is based on Scientific/Technical Merit, Relevance, and Level of Effort, and will be detailed within this presentation.ROSES 2015 submission changes: All PSD programs will continue to use a two-step proposal submission process. A Step-1 proposal is required and must be submitted electronically by the Step-1 due date. The Step-1 proposal should include a description of the science goals and objectives to be addressed by the proposal, a brief description of the methodology to be used to address the science goals and objectives, and the relevance of the proposed research to the call submitted to.

Computer programs: Electronic circuit design criteria: A compilation

NASA Technical Reports Server (NTRS)

1973-01-01

A Technology Utilization Program for the dissemination of information on technological developments which have potential utility outside the aerospace community is presented. The 21 items reported herein describe programs that are applicable to electronic circuit design procedures.

Programmed serial stereochemical relay and its application in the synthesis of morphinans† †Electronic supplementary information (ESI) available. CCDC 1526432. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7sc03189k Click here for additional data file. Click here for additional data file.

PubMed Central

Ho (Kenny) Park, Kun; Chen, Rui

2017-01-01

Herein we report a rationally designed, serial point-to-axial and axial-to-point stereoinduction and its integration into multi-step and target-oriented organic synthesis. In this proof-of-concept study, the configurational stability of several carefully designed atropisomeric intermediates and the fidelity of their unconventional stereoinductions were systematically investigated. The highly functionalized prepared synthetic intermediate was further applied in a novel chemical method to access the morphinans and it is potentially applicable to other structurally related alkaloids. PMID:29147530

Status of research into lightning effects on aircraft

NASA Technical Reports Server (NTRS)

Plumer, J. A.

1976-01-01

Developments in aircraft lightning protection since 1938 are reviewed. Potential lightning problems resulting from present trends toward the use of electronic controls and composite structures are discussed, along with presently available lightning test procedures for problem assessment. The validity of some procedures is being questioned because of pessimistic results and design implications. An in-flight measurement program is needed to provide statistics on lightning severity at flight altitudes and to enable more realistic tests, and operators are urged to supply researchers with more details on electronic components damaged by lightning strikes. A need for review of certain aspects of fuel system vulnerability is indicated by several recent accidents, and specific areas for examination are identified. New educational materials and standardization activities are also noted.

Synthesis of core-shell structured FAU/SBA-15 composite molecular sieves and their performance in catalytic cracking of polystyrene

NASA Astrophysics Data System (ADS)

Du, Jinlong; Shi, Chunwei; Wu, Wenyuan; Bian, Xue; Chen, Ping; Cui, Qingzhu; Cui, Zhixuan

2017-12-01

Composite molecular sieves, FAU/SBA-15, having core-shell structure were synthesized. The synthesized composite sieves were characterized by X-ray diffractometry (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDS), pyrolysis fourier transform infrared (Py-FTIR) spectroscopy, temperature programmed desorption spectra (NH3-TPD), UV Raman spectroscopy, nuclear magnetic resonance (NMR) and other techniques. XRD, SEM, TEM, N2 adsorption-desorption, mass spectrometry, NMR and EDS results showed that the composite molecular sieve contained two pore channels. Py-FTIR results showed that the addition of HY molecular sieves improved the acidity of the composite zeolite. The crystallization mechanism during the growth of FAU/SBA-15 shell was deduced from the influence of crystallization time on the synthesis of FAU/SBA-15 core-shell structured composite molecular sieve. HY dissociated partially in H2SO4 solution, and consisted of secondary structural units. This framework structure was more stable than its presence in the isolated form on the same ring or in the absence of Al. Thus it played a guiding role and connected with SBA-15 closely through the Si-O bond. This resulted in the gradual covering of the exterior surface of FAU phase by SBA-15 molecular sieves. The presence of SBA-15 restricted the formation of the other high mass components and increased the selectivity towards ethylbenzene.

Empirical valence bond models for reactive potential energy surfaces: a parallel multilevel genetic program approach.

PubMed

Bellucci, Michael A; Coker, David F

2011-07-28

We describe a new method for constructing empirical valence bond potential energy surfaces using a parallel multilevel genetic program (PMLGP). Genetic programs can be used to perform an efficient search through function space and parameter space to find the best functions and sets of parameters that fit energies obtained by ab initio electronic structure calculations. Building on the traditional genetic program approach, the PMLGP utilizes a hierarchy of genetic programming on two different levels. The lower level genetic programs are used to optimize coevolving populations in parallel while the higher level genetic program (HLGP) is used to optimize the genetic operator probabilities of the lower level genetic programs. The HLGP allows the algorithm to dynamically learn the mutation or combination of mutations that most effectively increase the fitness of the populations, causing a significant increase in the algorithm's accuracy and efficiency. The algorithm's accuracy and efficiency is tested against a standard parallel genetic program with a variety of one-dimensional test cases. Subsequently, the PMLGP is utilized to obtain an accurate empirical valence bond model for proton transfer in 3-hydroxy-gamma-pyrone in gas phase and protic solvent. © 2011 American Institute of Physics

42 CFR 456.700 - Scope.

Code of Federal Regulations, 2010 CFR

2010-10-01

... ASSISTANCE PROGRAMS UTILIZATION CONTROL Drug Use Review (DUR) Program and Electronic Claims Management System... outpatient DUR program that includes prospective drug review, retrospective drug use review, and an... optional point-of-sale electronic claims management system for processing claims for covered outpatient...

Summary of nondestructive testing theory and practice

NASA Technical Reports Server (NTRS)

Meister, R. P.; Randall, M. D.; Mitchell, D. K.; Williams, L. P.; Pattee, H. E.

1972-01-01

The ability to fabricate design critical and man-rated aerospace structures using materials near the limits of their capabilities requires a comprehensive and dependable assurance program. The quality assurance program must rely heavily on nondestructive testing methods for thorough inspection to assess properties and quality of hardware items. A survey of nondestructive testing methods is presented to provide space program managers, supervisors and engineers who are unfamiliar with this technical area with appropriate insight into the commonly accepted nondestructive testing methods available, their interrelationships, used, advantages and limitations. Primary emphasis is placed on the most common methods: liquid penetrant, magnetic particle, radiography, ultrasonics and eddy current. A number of the newer test techniques including thermal, acoustic emission, holography, microwaves, eddy-sonic and exo-electron emission, which are beginning to be used in applications of interest to NASA, are also discussed briefly.

Foundations of Intervention Research in Instrumental Practice

PubMed Central

Hatfield, Johannes L.; Lemyre, Pierre-Nicolas

2016-01-01

The goals of the present study are to evaluate, implement, and adapt psychological skills used in the realm of sports into music performance. This research project also aims to build foundations on how to implement future interventions to guide music students on how to optimize practice toward performance. A 2-month psychological skills intervention was provided to two students from the national music academy's bachelor program in music performance to better understand how to adapt and construct psychological skills training programs for performing music students. The program evaluated multiple intervention tools including the use of questionnaires, performance profiling, iPads, electronic practice logs, recording the perceived value of individual and combined work, as well as the effectiveness of different communication forms. Perceived effects of the intervention were collected through semi-structured interviews, observations, and logs. PMID:26834660

NASA Electronic Parts and Packaging (NEPP) Program - Update

NASA Technical Reports Server (NTRS)

LaBel, Kenneth A.; Sampson, Michael J.

2010-01-01

This slide presentation reviews the goals and mission of the NASA Electronic Parts and Packaging (NEPP) Program. The NEPP mission is to provide guidance to NASA for the selection and application of microelectronics technologies, to improve understanding of the risks related to the use of these technologies in the space environment and to ensure that appropriate research is performed to meet NASA mission assurance needs. The program has been supporting NASA for over 20 years. The focus is on the reliability aspects of electronic devices. In this work the program also supports the electronics industry. There are several areas that the program is involved in: Memories, systems on a chip (SOCs), data conversion devices, power MOSFETS, power converters, scaled CMOS, capacitors, linear devices, fiber optics, and other electronics such as sensors, cryogenic and SiGe that are used in space systems. Each of these area are reviewed with the work that is being done in reliability and effects of radiation on these technologies.

Electron crystallography and aquaporins.

PubMed

Schenk, Andreas D; Hite, Richard K; Engel, Andreas; Fujiyoshi, Yoshinori; Walz, Thomas

2010-01-01

Electron crystallography of two-dimensional (2D) crystals can provide information on the structure of membrane proteins at near-atomic resolution. Originally developed and used to determine the structure of bacteriorhodopsin (bR), electron crystallography has recently been applied to elucidate the structure of aquaporins (AQPs), a family of membrane proteins that form pores mostly for water but also other solutes. While electron crystallography has made major contributions to our understanding of the structure and function of AQPs, structural studies on AQPs, in turn, have fostered a number of technical developments in electron crystallography. In this contribution, we summarize the insights electron crystallography has provided into the biology of AQPs, and describe technical advancements in electron crystallography that were driven by structural studies on AQP 2D crystals. In addition, we discuss some of the lessons that were learned from electron crystallographic work on AQPs. Copyright © 2010 Elsevier Inc. All rights reserved.

Low-temperature thermal reduction of graphene oxide: In situ correlative structural, thermal desorption, and electrical transport measurements

NASA Astrophysics Data System (ADS)

Lipatov, Alexey; Guinel, Maxime J.-F.; Muratov, Dmitry S.; Vanyushin, Vladislav O.; Wilson, Peter M.; Kolmakov, Andrei; Sinitskii, Alexander

2018-01-01

Elucidation of the structural transformations in graphene oxide (GO) upon reduction remains an active and important area of research. We report the results of in situ heating experiments, during which electrical, mass spectrometry, X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and transmission electron microscopy (TEM) measurements were carried out correlatively. The simultaneous electrical and temperature programmed desorption measurements allowed us to correlate the onset of the increase in the electrical conductivity of GO by five orders of magnitude at about 150 °C with the maxima of the rates of desorption of H2O, CO, and CO2. Interestingly, this large conductivity change happens at an intermediate level of the reduction of GO, which likely corresponds to the point when the graphitic domains become large enough to enable percolative electronic transport. We demonstrate that the gas desorption is intimately related to (i) the changes in the chemical structure of GO detected by XPS and Raman spectroscopy and (ii) the formation of nanoscopic holes in GO sheets revealed by TEM. These in situ observations provide a better understanding of the mechanism of the GO thermal reduction.

Data mining for multiagent rules, strategies, and fuzzy decision tree structure

NASA Astrophysics Data System (ADS)

Smith, James F., III; Rhyne, Robert D., II; Fisher, Kristin

2002-03-01

A fuzzy logic based resource manager (RM) has been developed that automatically allocates electronic attack resources in real-time over many dissimilar platforms. Two different data mining algorithms have been developed to determine rules, strategies, and fuzzy decision tree structure. The first data mining algorithm uses a genetic algorithm as a data mining function and is called from an electronic game. The game allows a human expert to play against the resource manager in a simulated battlespace with each of the defending platforms being exclusively directed by the fuzzy resource manager and the attacking platforms being controlled by the human expert or operating autonomously under their own logic. This approach automates the data mining problem. The game automatically creates a database reflecting the domain expert's knowledge. It calls a data mining function, a genetic algorithm, for data mining of the database as required and allows easy evaluation of the information mined in the second step. The criterion for re- optimization is discussed as well as experimental results. Then a second data mining algorithm that uses a genetic program as a data mining function is introduced to automatically discover fuzzy decision tree structures. Finally, a fuzzy decision tree generated through this process is discussed.

An overview of the first half-century of molecular electronics.

PubMed

Hush, Noel S

2003-12-01

The seminal ideas from which molecular electronics has developed were the theories of molecular conduction advanced in the late 1940s by Robert S. Mulliken and Albert Szent-Gyorgi. These were, respectively, the concept of donor-acceptor charge transfer complexes and the possibility that proteins might in fact not be insulators The next two decades saw a burgeoning of experimental and theoretical work on electron transfer systems, together with a lone effort by D.D. Eley on conduction in proteins. The call by Feynman in his famous 1959 lecture There's Plenty of Room at the Bottom for chemists, engineers and physicists to combine to build up structures from the molecular level was influential in turning attention to the possibility of engineering single molecules to function as elements in information-processing systems. This was made tangible by the proposal of Aviram and Ratner in 1974 to use a Mulliken-like electron donor-acceptor molecule as a molecular diode, generalizing molecular conduction into molecular electronics. In the early 1970s the remarkably visionary work of Forrest L. Carter of the U.S. Naval Research Laboratories began to appear: designs for molecular wires, switches, complex molecular logic elements, and a host of related ideas were advanced. Shortly after that, conferences on molecular electronics began to be held, and the interdisciplinary programs that Feynman envisaged. There was a surge in both experimental and theoretical work in molecular electronics, and the establishment of many research centres. The past five years or so have seen extraordinarily rapid progress in fabrication and theoretical understanding. The history of how separate lines of research emanating from fundamental insights of about 50 years ago have coalesced into a thriving international research program in what might be called the ultimate nanotechnology is the subject of this review; it concentrates on the lesser-appreciated early developments in the field.

Anomalous Electron Spectrum and Its Relation to Peak Structure of Electron Scattering Rate in Cuprate Superconductors

NASA Astrophysics Data System (ADS)

Gao, Deheng; Mou, Yingping; Feng, Shiping

2018-02-01

The recent discovery of a direct link between the sharp peak in the electron quasiparticle scattering rate of cuprate superconductors and the well-known peak-dip-hump structure in the electron quasiparticle excitation spectrum is calling for an explanation. Within the framework of the kinetic-energy-driven superconducting mechanism, the complicated line-shape in the electron quasiparticle excitation spectrum of cuprate superconductors is investigated. It is shown that the interaction between electrons by the exchange of spin excitations generates a notable peak structure in the electron quasiparticle scattering rate around the antinodal and nodal regions. However, this peak structure disappears at the hot spots, which leads to that the striking peak-dip-hump structure is developed around the antinodal and nodal regions, and vanishes at the hot spots. The theory also confirms that the sharp peak observed in the electron quasiparticle scattering rate is directly responsible for the remarkable peak-dip-hump structure in the electron quasiparticle excitation spectrum of cuprate superconductors.

Configuration-specific electronic structure of strongly interacting interfaces: TiOPc on Cu(110)

NASA Astrophysics Data System (ADS)

Maughan, Bret; Zahl, Percy; Sutter, Peter; Monti, Oliver L. A.

2017-12-01

We use low-temperature scanning tunneling microscopy in combination with angle-resolved ultraviolet and two-photon photoemission spectroscopy to investigate the interfacial electronic structure of titanyl phthalocyanine (TiOPc) on Cu(110). We show that the presence of two unique molecular adsorption configurations is crucial for a molecular-level analysis of the hybridized interfacial electronic structure. Specifically, thermally induced self-assembly exposes marked adsorbate-configuration-specific contributions to the interfacial electronic structure. The results of this work demonstrate an avenue towards understanding and controlling interfacial electronic structure in chemisorbed films even for the case of complex film structure.

Design characteristics that affect speed of information access and clarity of presentation in an electronic neuroanatomy atlas.

PubMed

Stewart, P A; Nathan, N; Nyhof-Young, J

2007-01-01

Functional Neuroanatomy, an interactive electronic neuroanatomical atlas, was designed for first year medical students. Medical students have much to learn in a limited time; therefore a major goal in the atlas design was that it facilitate rapid, accurate information retrieval. To assess this feature, we designed a testing scenario in which students who had never taken a neuroanatomy course were asked to complete two equivalent tests, one using the electronic atlas and one using a comparable hard copy atlas, in a limited period of time. The tests were too long to be completed in the time allotted, so test scores were measures of how quickly correct information could be retrieved from each source. Statistical analysis of the data showed that the tests were of equal difficulty and that accurate information retrieval was significantly faster using the electronic atlas when compared with the hard copy atlas (P < 0.0001). Post-test focus groups (n = 4) allowed us to infer that the following design features contributed to rapid information access: the number of structures in the database was limited to those that are relevant to a practicing physician; all of the program modules were presented in both text and image form on the index screen, which doubled as a site map; pages were layered electronically such that information was hidden until requested, structures available on each page were listed alphabetically and could be accessed by clicking on their name; and an illustrated glossary was provided and equipped with a search engine.

Playing piano can improve upper extremity function after stroke: case studies.

PubMed

Villeneuve, Myriam; Lamontagne, Anouk

2013-01-01

Music-supported therapy (MST) is an innovative approach that was shown to improve manual dexterity in acute stroke survivors. The feasibility of such intervention in chronic stroke survivors and its longer-term benefits, however, remain unknown. The objective of this pilot study was to estimate the short- and long-term effects of a 3-week piano training program on upper extremity function in persons with chronic stroke. A multiple pre-post sequential design was used, with measurements taken at baseline (week0, week3), prior to (week6) and after the intervention (week9), and at 3-week follow-up (week12). Three persons with stroke participated in the 3-week piano training program that combined structured piano lessons to home practice program. The songs, played on an electronic keyboard, involved all 5 digits of the affected hand and were displayed using a user-friendly MIDI program. After intervention, all the three participants showed improvements in their fine (nine hole peg test) and gross (box and block test) manual dexterity, as well as in the functional use of the upper extremity (Jebsen hand function test). Improvements were maintained at follow-up. These preliminary results support the feasibility of using an MST approach that combines structured lessons to home practice to improve upper extremity function in chronic stroke.

Programming chemistry in DNA-addressable bioreactors

PubMed Central

Fellermann, Harold; Cardelli, Luca

2014-01-01

We present a formal calculus, termed the chemtainer calculus, able to capture the complexity of compartmentalized reaction systems such as populations of possibly nested vesicular compartments. Compartments contain molecular cargo as well as surface markers in the form of DNA single strands. These markers serve as compartment addresses and allow for their targeted transport and fusion, thereby enabling reactions of previously separated chemicals. The overall system organization allows for the set-up of programmable chemistry in microfluidic or other automated environments. We introduce a simple sequential programming language whose instructions are motivated by state-of-the-art microfluidic technology. Our approach integrates electronic control, chemical computing and material production in a unified formal framework that is able to mimic the integrated computational and constructive capabilities of the subcellular matrix. We provide a non-deterministic semantics of our programming language that enables us to analytically derive the computational and constructive power of our machinery. This semantics is used to derive the sets of all constructable chemicals and supermolecular structures that emerge from different underlying instruction sets. Because our proofs are constructive, they can be used to automatically infer control programs for the construction of target structures from a limited set of resource molecules. Finally, we present an example of our framework from the area of oligosaccharide synthesis. PMID:25121647

Playing Piano Can Improve Upper Extremity Function after Stroke: Case Studies

PubMed Central

Villeneuve, Myriam; Lamontagne, Anouk

2013-01-01

Music-supported therapy (MST) is an innovative approach that was shown to improve manual dexterity in acute stroke survivors. The feasibility of such intervention in chronic stroke survivors and its longer-term benefits, however, remain unknown. The objective of this pilot study was to estimate the short- and long-term effects of a 3-week piano training program on upper extremity function in persons with chronic stroke. A multiple pre-post sequential design was used, with measurements taken at baseline (week0, week3), prior to (week6) and after the intervention (week9), and at 3-week follow-up (week12). Three persons with stroke participated in the 3-week piano training program that combined structured piano lessons to home practice program. The songs, played on an electronic keyboard, involved all 5 digits of the affected hand and were displayed using a user-friendly MIDI program. After intervention, all the three participants showed improvements in their fine (nine hole peg test) and gross (box and block test) manual dexterity, as well as in the functional use of the upper extremity (Jebsen hand function test). Improvements were maintained at follow-up. These preliminary results support the feasibility of using an MST approach that combines structured lessons to home practice to improve upper extremity function in chronic stroke. PMID:23533954

77 FR 58131 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Mississippi

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-19

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9730-1] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Mississippi AGENCY: Environmental Protection Agency (EPA). ACTION: Notice...-Media Electronic Reporting Rule (CROMERR) was published in the Federal Register (70 FR 59848) and...

76 FR 25334 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Maryland

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-04

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9301-4] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Maryland AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY..., [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic...

77 FR 25474 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Florida

Federal Register 2010, 2011, 2012, 2013, 2014

2012-04-30

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9665-2] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Florida AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic Reporting...

77 FR 65379 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Wyoming

Federal Register 2010, 2011, 2012, 2013, 2014

2012-10-26

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9744-2] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Wyoming AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic Reporting...

76 FR 76971 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Arkansas

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-09

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9504-4] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Arkansas AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY..., [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic...

77 FR 37039 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Delaware

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-20

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9690-6] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Delaware AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY... INFORMATION: On October 13, 2005, the final Cross-Media Electronic Reporting Regulation (CROMERR) was...

76 FR 76970 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Montana

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-09

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9504-3] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Montana AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY..., [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic...

76 FR 76971 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Indiana

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-09

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9504-5] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Indiana AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY..., [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic...

78 FR 32386 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Arkansas

Federal Register 2010, 2011, 2012, 2013, 2014

2013-05-30

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9818-3] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Arkansas AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic Reporting...

78 FR 35030 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Nevada

Federal Register 2010, 2011, 2012, 2013, 2014

2013-06-11

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9823-4] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Nevada AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY..., [email protected] . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic...

1st NASA Electronic Parts Packaging (NEPP) Program Electronic Technology Workshop (ETW)

NASA Technical Reports Server (NTRS)

LaBel, Kenneth A.; Sampson, Michael J.

2010-01-01

NEPP supports all of NASA for >20 years - 7 NASA Centers and JPL actively participate The NEPP Program focuses on the reliability aspects of electronic devices - Three prime technical areas: Parts (die), Packaging, and Radiation Alternately, reliability may be viewed as: -

Uniform 2 nm gold nanoparticles supported on iron oxides as active catalysts for CO oxidation reaction: structure-activity relationship

NASA Astrophysics Data System (ADS)

Guo, Yu; Gu, Dong; Jin, Zhao; Du, Pei-Pei; Si, Rui; Tao, Jing; Xu, Wen-Qian; Huang, Yu-Ying; Senanayake, Sanjaya; Song, Qi-Sheng; Jia, Chun-Jiang; Schüth, Ferdi

2015-03-01

Uniform Au nanoparticles (~2 nm) with narrow size-distribution (standard deviation: 0.5-0.6 nm) supported on both hydroxylated (Fe_OH) and dehydrated iron oxide (Fe_O) have been prepared by either deposition-precipitation (DP) or colloidal-deposition (CD) methods. Different structural and textural characterizations were applied to the dried, calcined and used gold-iron oxide samples. Transmission electron microscopy (TEM) and high-resolution TEM (HRTEM) showed high homogeneity in the supported Au nanoparticles. The ex situ and in situ X-ray absorption fine structure (XAFS) characterization monitored the electronic and short-range local structure of active gold species. The synchrotron-based in situ X-ray diffraction (XRD), together with the corresponding temperature-programmed reduction by hydrogen (H2-TPR), indicated a structural evolution of the iron-oxide supports, correlating to their reducibility. An inverse order of catalytic activity between DP (Au/Fe_OH < Au/Fe_O) and CD (Au/Fe_OH > Au/Fe_O) was observed. Effective gold-support interaction results in a high activity for gold nanoparticles, locally generated by the sintering of dispersed Au atoms on the oxide support in the DP synthesis, while a hydroxylated surface favors the reactivity of externally introduced Au nanoparticles on Fe_OH support for the CD approach. This work reveals why differences in the synthetic protocol translate to differences in the catalytic performance of Au/FeOx catalysts with very similar structural characteristics in CO oxidation.

Uniform 2 nm gold nanoparticles supported on iron oxides as active catalysts for CO oxidation reaction: Structure-activity relationship

DOE PAGES

Guo, Yu; Senanayake, Sanjaya; Gu, Dong; ...

2015-01-12

Uniform Au nanoparticles (~2 nm) with narrow size-distribution (standard deviation: 0.5–0.6 nm) supported on both hydroxylated (Fe_OH) and dehydrated iron oxide (Fe_O) have been prepared by either deposition-precipitation (DP) or colloidal-deposition (CD) methods. Different structural and textural characterizations were applied to the dried, calcined and used gold-iron oxide samples. The transmission electron microscopy (TEM) and high-resolution TEM (HRTEM) described the high homogeneity in the supported Au nanoparticles. The ex-situ and in-situ X-ray absorption fine structure (XAFS) characterization monitored the electronic and short-range local structure of active gold species. The synchrotron-based in-situ X-ray diffraction (XRD), together with the corresponding temperature-programmed reductionmore » by hydrogen (H₂-TPR), indicated a structural evolution of the iron-oxide supports, correlating to their reducibility. An inverse order of catalytic activity between DP (Au/Fe_OH < Au/Fe_O) and CD (Au/Fe_OH > Au/Fe_O) was observed. Effective gold-support interaction results in a high activity for gold nanoparticles, locally generated by the sintering of dispersed Au atoms on the oxide support in the DP synthesis, while a hydroxylated surface favors the reactivity of externally introduced Au nanoparticles on Fe_OH support for the CD approach. This work reveals why differences in the synthetic protocol translate to differences in the catalytic performance of Au/FeO x catalysts with very similar structural characteristics in CO oxidation.« less

Numerical simulation of CTE mismatch and thermal-structural stresses in the design of interconnects

NASA Astrophysics Data System (ADS)

Peter, Geoffrey John M.

With the ever-increasing chip complexity, interconnects have to be designed to meet the new challenges. Advances in optical lithography have made chip feature sizes available today at 70 nm dimensions. With advances in Extreme Ultraviolet Lithography, X-ray Lithography, and Ion Projection Lithography it is expected that the line width will further decrease to 20 nm or less. With the decrease in feature size, the number of active devices on the chip increases. With higher levels of circuit integration, the challenge is to dissipate the increased heat flux from the chip surface area. Thermal management considerations include coefficient of thermal expansion (CTE) matching to prevent failure between the chip and the board. This in turn calls for improved system performance and reliability of the electronic structural systems. Experience has shown that in most electronic systems, failures are mostly due to CTE mismatch between the chip, board, and the solder joint (solder interconnect). The resulting high thermal-structural stress and strain due to CTE mismatch produces cracks in the solder joints with eventual failure of the electronic component. In order to reduce the thermal stress between the chip, board, and the solder joint, this dissertation examines the effect of inserting wire bundle (wire interconnect) between the chip and the board. The flexibility of the wires or fibers would reduce the stress at the rigid joints. Numerical simulations of two, and three-dimensional models of the solder and wire interconnects are examined. The numerical simulation is linear in nature and is based on linear isotropic material properties. The effect of different wire material properties is examined. The effect of varying the wire diameter is studied by changing the wire diameter. A major cause of electronic equipment failure is due to fatigue failure caused by thermal cycling, and vibrations. A two-dimensional modal and harmonic analysis was simulated for the wire interconnect and the solder interconnect. The numerical model simulated using ANSYS program was validated with the numerical/experimental results of other published researchers. In addition the results were cross-checked by IDEAS program. A prototype non-working wire interconnect is proposed to emphasize practical application. The numerical analysis, in this dissertation is based on a U.S. Patent granted to G. Peter(42).

The NASA Electronic Parts and Packaging (NEPP) Program: Insertion of New Electronics Technologies

NASA Technical Reports Server (NTRS)

LaBel, Kenneth A.; Sampson, Michael J.

2007-01-01

This viewgraph presentation gives an overview of NASA Electronic Parts and Packaging (NEPP) Program's new electronics technology trends. The topics include: 1) The Changing World of Radiation Testing of Memories; 2) Even Application-Specific Tests are Costly!; 3) Hypothetical New Technology Part Qualification Cost; 4) Where we are; 5) Approaching FPGAs as a More Than a "Part" for Reliability; 6) FPGAs Beget Novel Radiation Test Setups; 7) Understanding the Complex Radiation Data; 8) Tracking Packaging Complexity and Reliability for FPGAs; 9) Devices Supporting the FPGA Need to be Considered; 10) Summary of the New Electronic Technologies and Insertion into Flight Programs Workshop; and 11) Highlights of Panel Notes and Comments

The COOLER Code: A Novel Analytical Approach to Calculate Subcellular Energy Deposition by Internal Electron Emitters.

PubMed

Siragusa, Mattia; Baiocco, Giorgio; Fredericia, Pil M; Friedland, Werner; Groesser, Torsten; Ottolenghi, Andrea; Jensen, Mikael

2017-08-01

COmputation Of Local Electron Release (COOLER), a software program has been designed for dosimetry assessment at the cellular/subcellular scale, with a given distribution of administered low-energy electron-emitting radionuclides in cellular compartments, which remains a critical step in risk/benefit analysis for advancements in internal radiotherapy. The software is intended to overcome the main limitations of the medical internal radiation dose (MIRD) formalism for calculations of cellular S-values (i.e., dose to a target region in the cell per decay in a given source region), namely, the use of the continuous slowing down approximation (CSDA) and the assumption of a spherical cell geometry. To this aim, we developed an analytical approach, entrusted to a MATLAB-based program, using as input simulated data for electron spatial energy deposition directly derived from full Monte Carlo track structure calculations with PARTRAC. Results from PARTRAC calculations on electron range, stopping power and residual energy versus traveled distance curves are presented and, when useful for implementation in COOLER, analytical fit functions are given. Example configurations for cells in different culture conditions (V79 cells in suspension or adherent culture) with realistic geometrical parameters are implemented for use in the tool. Finally, cellular S-value predictions by the newly developed code are presented for different cellular geometries and activity distributions (uniform activity in the nucleus, in the entire cell or on the cell surface), validated against full Monte Carlo calculations with PARTRAC, and compared to MIRD standards, as well as results based on different track structure calculations (Geant4-DNA). The largest discrepancies between COOLER and MIRD predictions were generally found for electrons between 25 and 30 keV, where the magnitude of disagreement in S-values can vary from 50 to 100%, depending on the activity distribution. In calculations for activity distribution on the cell surface, MIRD predictions appeared to fail the most. The proposed method is suitable for Auger-cascade electrons, but can be extended to any energy of interest and to beta spectra; as an example, the 3 H case is also discussed. COOLER is intended to be accessible to everyone (preclinical and clinical researchers included), and may provide important information for the selection of radionuclides, the interpretation of radiobiological or preclinical results, and the general establishment of doses in any scenario, e.g., with cultured cells in the laboratory or with therapeutic or diagnostic applications. The software will be made available for download from the DTU-Nutech website: http://www.nutech.dtu.dk/ .

Deep Space Systems Technology Program Future Deliveries

NASA Technical Reports Server (NTRS)

Salvo, Christopher G.; Keuneke, Matthew S.

2000-01-01

NASA is in a period of frequent launches of low cost deep space missions with challenging performance needs. The modest budgets of these missions make it impossible for each to develop its own technology, therefore, efficient and effective development and insertion of technology for these missions must be approached at a higher level than has been done in the past. The Deep Space Systems Technology Program (DSST), often referred to as X2000, has been formed to address this need. The program is divided into a series of "Deliveries" that develop and demonstrate a set of spacecraft system capabilities with broad applicability for use by multiple missions. The First Delivery Project, to be completed in 2001, will provide a one MRAD-tolerant flight computer, power switching electronics, efficient radioisotope power source, and a transponder with services at 8.4 GHz and 32 GHz bands. Plans call for a Second Delivery in late 2003 to enable complete deep space systems in the 10 to 50 kg class, and a Third Delivery built around Systems on a Chip (extreme levels of electronic and microsystems integration) around 2006. Formulation of Future Deliveries (past the First Delivery) is ongoing and includes plans for such developments as highly miniaturized digital/analog/power electronics, optical communications, multifunctional structures, miniature lightweight propulsion, advanced thermal control techniques, highly efficient radioisotope power sources, and a unified flight ground software architecture to support the needs of future highly intelligent space systems. All developments are targeted at broad applicability and reuse, and will be commercialized within the US.

Structured sedation programs in the emergency department, hospital and other acute settings: protocol for systematic review of effects and events.

PubMed

McCoy, Siobhán; Wakai, Abel; Blackburn, Carol; Barrett, Michael; Murphy, Adrian; Brenner, Maria; Larkin, Philip; Crispino-O'Connell, Gloria; Ratnapalan, Savithiri; O'Sullivan, Ronan

2013-10-01

The use of procedural sedation outside the operating theatre has increased in hospital settings and has gained popularity among non-anesthesiologists. Sedative agents used for procedural pain, although effective, also pose significant risks to the patient if used incorrectly. There is currently no universally accepted program of education for practitioners using or introducing procedural sedation into their practice. There is emerging literature identifying structured procedural sedation programs (PSPs) as a method of ensuring a standardized level of competency among staff and reducing risks to the patient. We hypothesize that programs of education for healthcare professionals using procedural sedation outside the operating theatre are beneficial in improving patient care, safety, practitioner competence and reducing adverse event rates. Electronic databases will be systematically searched for studies (randomized and non-randomized) examining the effectiveness of structured PSPs from 1966 to present. Database searches will be supplemented by contact with experts, reference and citation checking, and a grey literature search. No language restriction will be imposed. Screening of titles and abstracts, and data extraction will be performed by two independent reviewers. All disagreements will be resolved by discussion with an independent third party. Data analysis will be completed adhering to procedures outlined in the Cochrane Handbook of Systematic Reviews of Interventions. If the data allows, a meta-analysis will be performed. This review will cohere evidence on the effectiveness of structured PSPs on sedation events and patient outcomes within the hospital and other acute care settings. In addition, it will examine key components identified within a PSP associated with patient safety and improved patient outcomes. PROSPERO registration number: CRD42013003851.

77 FR 68770 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Vermont

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-16

... ENVIRONMENTAL PROTECTION AGENCY [FRL9752-3] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Vermont AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY... 13, 2005, the final Cross-Media Electronic Reporting Rule (CROMERR) was published in the Federal...

76 FR 25333 - Cross-Media Electronic Reporting: Authorized Program Revision/Modification Approvals, State of...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-04

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9301-5] Cross-Media Electronic Reporting: Authorized Program Revision/ Modification Approvals, State of South Dakota AGENCY: Environmental Protection Agency (EPA...: On October 13, 2005, the final Cross-Media Electronic Reporting Rule (CROMERR) was published in the...

76 FR 30342 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Ohio

Federal Register 2010, 2011, 2012, 2013, 2014

2011-05-25

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9311-3] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Ohio AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY... 13, 2005, the final Cross-Media Electronic Reporting Rule (CROMERR) was published in the Federal...

77 FR 13123 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Ohio

Federal Register 2010, 2011, 2012, 2013, 2014

2012-03-05

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9642-8] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Ohio AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY... . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic Reporting Rule (CROMERR) was...

76 FR 46798 - Cross-Media Electronic Reporting: Authorized Program Revision Approvals, Commonwealth of Kentucky

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-03

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9447-2] Cross-Media Electronic Reporting: Authorized Program Revision Approvals, Commonwealth of Kentucky AGENCY: Environmental Protection Agency (EPA). ACTION: Notice... October 13, 2005, the final Cross-Media Electronic Reporting Rule (CROMERR) was published in the Federal...

77 FR 71792 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Georgia

Federal Register 2010, 2011, 2012, 2013, 2014

2012-12-04

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9757-6] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Georgia AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY...-Media Electronic Reporting Rule (CROMERR) was published in the Federal Register (70 FR 59848) and...

77 FR 37038 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Illinois

Federal Register 2010, 2011, 2012, 2013, 2014

2012-06-20

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9690-5] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Illinois AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY... . SUPPLEMENTARY INFORMATION: On October 13, 2005, the final Cross-Media Electronic Reporting Rule (CROMERR) was...

76 FR 24020 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Illinois

Federal Register 2010, 2011, 2012, 2013, 2014

2011-04-29

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9293-7] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Illinois AGENCY: Environmental Protection Agency (EPA). ACTION: Notice. SUMMARY... final Cross-Media Electronic Reporting Rule (CROMERR) was published in the Federal Register (70 FR 59848...

78 FR 49510 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of Montana

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2013-08-14

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Electron/proton spectrometer certification documentation analyses

NASA Technical Reports Server (NTRS)

Gleeson, P.

1972-01-01

A compilation of analyses generated during the development of the electron-proton spectrometer for the Skylab program is presented. The data documents the analyses required by the electron-proton spectrometer verification plan. The verification plan was generated to satisfy the ancillary hardware requirements of the Apollo Applications program. The certification of the spectrometer requires that various tests, inspections, and analyses be documented, approved, and accepted by reliability and quality control personnel of the spectrometer development program.

A portable version of the program of nettar and villafranca for the simulation of electron paramagnetic resonance spectra of powders

NASA Astrophysics Data System (ADS)

Soulié, Edgar; Gaugenot, Jacques

1995-04-01

Nettar and Villafranca wrote in the FORTRAN programming language a computer program which simulates the electron paramagnetic resonance (EPR) spectra of powders (Journal of Magnetic Resonance, vol. 64 (1985) pp. 61-65). The spin Hamiltonian which their program can handle includes the Zeeman electronic interaction, the fine interaction up to the sixth order in the electron spin, a general hyperfine interaction, an isotropic nuclear Zeeman term; anisotropic ligand hyperfine terms are treated to first order in perturbation. The above Hamiltonian, without the ligand hyperfine terms, is treated exactly, i.e. the resonance equation for a transition between states labeled i and j is solved numerically: h.ν=Ei(H)-Ej(H).

ProbeZT: Simulation of transport coefficients of molecular electronic junctions under environmental effects using Büttiker's probes

NASA Astrophysics Data System (ADS)

Korol, Roman; Kilgour, Michael; Segal, Dvira

2018-03-01

We present our in-house quantum transport package, ProbeZT. This program provides linear response coefficients: electrical and electronic thermal conductances, as well as the thermopower of molecular junctions in which electrons interact with the surrounding thermal environment. Calculations are performed based on the Büttiker probe method, which introduces decoherence, energy exchange and dissipation effects phenomenologically using virtual electrode terminals called probes. The program can realize different types of probes, each introducing various environmental effects, including elastic and inelastic scattering of electrons. The molecular system is described by an arbitrary tight-binding Hamiltonian, allowing the study of different geometries beyond simple one-dimensional wires. Applications of the program to study the thermoelectric performance of molecular junctions are illustrated. The program also has a built-in functionality to simulate electron transport in double-stranded DNA molecules based on a tight-binding (ladder) description of the junction.

Magneto-thermoelectric effects in the two-dimensional electron gas of a HgTe quantum well due to THz laser heating by cyclotron resonance absorption

NASA Astrophysics Data System (ADS)

Pakmehr, Mehdi; Bruene, Christoph; Buhmann, Hartmut; Molenkamp, Laurens; McCombe, Bruce

2015-03-01

HgTe quantum wells (QWs) have shown a number of interesting phenomena over the past 20 years, most recently the first two-dimensional topological insulating state. We have studied thermoelectric photovoltages of 2D electrons in a 6.1 nm wide HgTe quantum well induced by cyclotron resonance absorption (B = 2 - 5 T) of a focused THz laser beam. We have estimated thermo-power coefficients by detailed analysis of the beam profile at the sample surface and the photovoltage signals developed across various contacts of a large Hall bar structure at a bath temperature of 1.6 K. We obtain reasonable values of the magneto-thermopower coefficients. Work at UB was supported by NSF DMR 1008138 and the Office of the Provost, and at the University of Wuerzburg by DARPA MESO Contract N6601-11-1-4105, by DFG Grant HA5893/4-1 within SPP 1666 and the Leibnitz Program, and the EU ERC-AG Program (Project 3-TOP.

Technology for large space systems: A special bibliography with indexes

NASA Technical Reports Server (NTRS)

1979-01-01

This bibliography lists 460 reports, articles, and other documents introduced into the NASA scientific and technical information system between January 1, 1968 and December 31, 1978. Its purpose is to provide helpful information to the researcher, manager, and designer in technology development and mission design in the area of the Large Space Systems Technology (LSST) Program. Subject matter is grouped according to systems, interactive analysis and design, structural concepts, control systems, electronics, advanced materials, assembly concepts, propulsion, and flight experiments.

Technology for large space systems: A special bibliography with indexes (supplement 01)

NASA Technical Reports Server (NTRS)

1979-01-01

This bibliography lists 180 reports, articles, and other documents introduced into the NASA scientific and technical information system between January 1, 1979 and June 30, 1979. Its purpose is to provide helpful information to the researcher, manager, and designer in technology development and mission design in the area of the Large Space Systems Technology (LSST) Program. Subject matter is grouped according to systems, interactive analysis and design, structural concepts, control systems, electronics, advanced materials, assembly concepts, propulsion, and flight experiments.

Computational Nanotechnology Program

NASA Technical Reports Server (NTRS)

Scuseria, Gustavo E.

1997-01-01

The objectives are: (1) development of methodological and computational tool for the quantum chemistry study of carbon nanostructures and (2) development of the fundamental understanding of the bonding, reactivity, and electronic structure of carbon nanostructures. Our calculations have continued to play a central role in understanding the outcome of the carbon nanotube macroscopic production experiment. The calculations on buckyonions offer the resolution of a long controversy between experiment and theory. Our new tight binding method offers increased speed for realistic simulations of large carbon nanostructures.

Strong anti-strain capacity of CoFeB/MgO interface on electronic structure and state coupling

NASA Astrophysics Data System (ADS)

Guo, Fei; Wu, Yaping; Wu, Zhiming; Chen, Ting; Li, Heng; Zhang, Chunmiao; Fu, Mingming; Lu, Yihong; Kang, Junyong

2018-01-01

Not Available Project supported by the National Key Research and Development Program of China (Grant No. 2016YFB0400801), the National Natural Science Foundation of China (Grant Nos. 61774128, 61674124, 11604275, 11304257, and 61227009), the Natural Science Foundation of Fujian Province of China (Grant Nos. 2017J01012, 2014J01026, 2016J01037, and 2015J01028), and the Fundamental Research Funds for the Central Universities, China (Grant Nos. 20720150027, 20720160044, 20720160122, 20720170085,20720170012, and 20720150033).

Storage Reliability of Missile Materiel Program. Storage Reliability Analysis Summary Report. Volume 1. Electrical and Electronic Devices

DTIC Science & Technology

1976-05-01

since the platinum silicide and titanium metals also offer very low mobility to the alkaline ions, the BLSJ . is inert to sodium . Inversion and...gettering agents for sodium ions, thus making the cont&-nination far less mobile. The stability of the structural and electrical properties of the oxide...to be an effective barrier to sodium migration. In Beam Lead Sealed ,unction (BLSJ) devices, the silicon nitride seals the devices from sodium and

Compilation of 1988 Annual Reports of the Navy ELF (Extremely Low Frequency) Communications System Ecological Monitoring Program. Volume 3

DTIC Science & Technology

1989-08-01

describing structural features of the habitat and 9 describing abundance of I dominant tree species) to a smaller set of uncorrelated variables that 3...support more deciduous habitats I (Blake et al. 1988). Differences in a variety of other habitat features also occur, but the deciduous-coniferous...Bradley, and S.R. Daruvalla. 1972. Influence of low level electronic and magnetic fields on the growth of young chickens. Biomed . Sci. Instrum. 9: 183

Extraterrestrial processing and manufacturing of large space systems, volume 2, chapters 7-14 and appendices

NASA Technical Reports Server (NTRS)

Miller, R. H.; Smith, D. B. S.

1979-01-01

Production and support equipment specifications are described for the space manufacturing facility (SMF). Defined production equipment includes electromagnetic pumps for liquid metal, metal alloying furnaces, die casters, electron beam welders and cutters, glass forming for structural elements, and rolling. A cost analysis is presented which includes the development, the aquisition of all SMF elements, initial operating cost, maintenance and logistics cost, cost of terrestrial materials, and transportation cost for each major element. Computer program listings and outputs are appended.

Technology for large space systems: A special bibliography with indexes (supplement 04)

NASA Technical Reports Server (NTRS)

1981-01-01

This bibliography lists 259 reports, articles, and other documents introduced into the NASA scientific and technical information system between July 1, 1980 and December 31, 1980. Its purpose is to provide information to the researcher, manager, and designer in technology development and mission design in the area of the Large Space Systems Technology Program. Subject matter is grouped according to systems, interactive analysis and design. Structural concepts, control systems, electronics, advanced materials, assembly concepts, propulsion, solar power satellite systems, and flight experiments.

Binding energies of benzene on coinage metal surfaces: Equal stability on different metals

NASA Astrophysics Data System (ADS)

Maaß, Friedrich; Jiang, Yingda; Liu, Wei; Tkatchenko, Alexandre; Tegeder, Petra

2018-06-01

Interfaces between organic molecules and inorganic solids adapt a prominent role in fundamental science, catalysis, molecular sensors, and molecular electronics. The molecular adsorption geometry, which is dictated by the strength of lateral and vertical interactions, determines the electronic structure of the molecule/substrate system. In this study, we investigate the binding properties of benzene on the noble metal surfaces Au(111), Ag(111), and Cu(111), respectively, using temperature-programmed desorption and first-principles calculations that account for non-locality of both electronic exchange and correlation effects. In the monolayer regime, we observed for all three systems a decrease of the binding energy with increasing coverage due to repulsive adsorbate/adsorbate interactions. Although the electronic properties of the noble metal surfaces are rather different, the binding strength of benzene on these surfaces is equal within the experimental error (accuracy of 0.05 eV), in excellent agreement with our calculations. This points toward the existence of a universal trend for the binding energy of aromatic molecules resulting from a subtle balance between Pauli repulsion and many-body van der Waals attraction.

Verification of an improved computational design procedure for TWT-dynamic refocuser-MDC systems with secondary electron emission losses

NASA Technical Reports Server (NTRS)

Ramins, P.; Force, D. A.; Palmer, R. W.; Dayton, J. A., Jr.; Kosmahl, H. G.

1986-01-01

A computational procedure for the design of TWT-refocuser-MDC systems was used to design a short 'dynamic' refocusing system and highly efficient four-stage depressed collector for a 200-W 8-18-GHz TWT. The computations were carried out with advanced multidimensional computer programs which model the electron beam as a series of disks of charge and follow their trajectories from the RF input of the TWT, through the slow-wave structure and refocusing section, to their points of impact in the depressed collector. Secondary emission losses in the MDC were treated semiquantitatively by injecting a representative beam of secondary electrons into the MDC analysis at the point of impact of each primary beam. A comparison of computed and measured TWT and MDC performance showed very good agreement. The electrodes of the MDC were fabricated from a particular form of isotropic graphite that was selected for its low secondary electron yield, thermal expansion characteristics, ease of machinability and vacuum properties. This MDC was tested at CW for more than 1000 h with negligible degradation in TWT and MDC performances.

Identifying patients with hypertension: a case for auditing electronic health record data.

PubMed

Baus, Adam; Hendryx, Michael; Pollard, Cecil

2012-01-01

Problems in the structure, consistency, and completeness of electronic health record data are barriers to outcomes research, quality improvement, and practice redesign. This nonexperimental retrospective study examines the utility of importing de-identified electronic health record data into an external system to identify patients with and at risk for essential hypertension. We find a statistically significant increase in cases based on combined use of diagnostic and free-text coding (mean = 1,256.1, 95% CI 1,232.3-1,279.7) compared to diagnostic coding alone (mean = 1,174.5, 95% CI 1,150.5-1,198.3). While it is not surprising that significantly more patients are identified when broadening search criteria, the implications are critical for quality of care, the movement toward the National Committee for Quality Assurance's Patient-Centered Medical Home program, and meaningful use of electronic health records. Further, we find a statistically significant increase in potential cases based on the last two or more blood pressure readings greater than or equal to 140/90 mm Hg (mean = 1,353.9, 95% CI 1,329.9-1,377.9).

Gluons and the Quark Sea at High Energies: Distributions, Polarization, Tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boer, Daniel; /Groningen U.; Diehl, Markus

2012-06-07

This report on the science case for an Electron-Ion Collider (EIC) is the result of a ten-week program at the Institute for Nuclear Theory (INT) in Seattle (from September 13-November 19, 2010), motivated by the need to develop a strong case for the continued study of the QCD description of hadron structure in the coming decades. Hadron structure in the valence quark region will be studied extensively with the Jefferson Lab 12 GeV science program, the subject of an INT program the previous year. The focus of the INT program was on understanding the role of gluons and sea quarks,more » the important dynamical degrees of freedom describing hadron structure at high energies. Experimentally, the most direct and precise way to access the dynamical structure of hadrons and nuclei at high energies is with a high luminosity lepton probe in collider mode. An EIC with optimized detectors offers enormous potential as the next generation accelerator to address many of the most important, open questions about the fundamental structure of matter. The goal of the INT program, as captured in the writeups in this report, was to articulate these questions and to identify golden experiments that have the greatest potential to provide definitive answers to these questions. At resolution scales where quarks and gluons become manifest as degrees of freedom, the structure of the nucleon and of nuclei is intimately connected with unique features of QCD dynamics, such as confinement and the self-coupling of gluons. Information on hadron sub-structure in DIS is obtained in the form of 'snapshots' by the 'lepton microscope' of the dynamical many-body hadron system, over different momentum resolutions and energy scales. These femtoscopic snapshots, at the simplest level, provide distribution functions which are extracted over the largest accessible kinematic range to assemble fundamental dynamical insight into hadron and nuclear sub-structure. For the proton, the EIC would be the brightest femtoscope scale lepton-collider ever, exceeding the intensity of the HERA collider a thousand fold. HERA, with its center-of-mass (CM) energy of 320 GeV, was built to search for quark substructure. An EIC, with its scientific focus on studying QCD in the regime where the sea quarks and gluons dominate, would have a lower CM energy. In a staged EIC design, the CM energy will range from 50-70 GeV in stage I to approximately twice that for the full design. In addition to being the first lepton collider exploring the structure of polarized protons, an EIC will also be the first electron-nucleus collider, probing the gluon and sea quark structure of nuclei for the first time. Following the same structure as the scientific discussions at the INT, this report is organized around the following four major themes: (1) The spin and flavor structure of the proton; (2) Three dimensional structure of nucleons and nuclei in momentum and configuration space; (3) QCD matter in nuclei; and (4) Electroweak physics and the search for physics beyond the Standard Model. In this executive summary, we will briefly outline the outstanding physics questions in these areas and the suite of measurements that are available with an EIC to address these. The status of accelerator and detector designs is addressed at the end of the summary. Tables of golden measurements for each of the key science areas outlined are presented on page 12. In addition, each chapter in the report contains a comprehensive overview of the science topic addressed. Interested readers are encouraged to read these and the individual contributions for more details on the present status of EIC science.« less

Introducing PROFESS 2.0: A parallelized, fully linear scaling program for orbital-free density functional theory calculations

NASA Astrophysics Data System (ADS)

Hung, Linda; Huang, Chen; Shin, Ilgyou; Ho, Gregory S.; Lignères, Vincent L.; Carter, Emily A.

2010-12-01

Orbital-free density functional theory (OFDFT) is a first principles quantum mechanics method to find the ground-state energy of a system by variationally minimizing with respect to the electron density. No orbitals are used in the evaluation of the kinetic energy (unlike Kohn-Sham DFT), and the method scales nearly linearly with the size of the system. The PRinceton Orbital-Free Electronic Structure Software (PROFESS) uses OFDFT to model materials from the atomic scale to the mesoscale. This new version of PROFESS allows the study of larger systems with two significant changes: PROFESS is now parallelized, and the ion-electron and ion-ion terms scale quasilinearly, instead of quadratically as in PROFESS v1 (L. Hung and E.A. Carter, Chem. Phys. Lett. 475 (2009) 163). At the start of a run, PROFESS reads the various input files that describe the geometry of the system (ion positions and cell dimensions), the type of elements (defined by electron-ion pseudopotentials), the actions you want it to perform (minimize with respect to electron density and/or ion positions and/or cell lattice vectors), and the various options for the computation (such as which functionals you want it to use). Based on these inputs, PROFESS sets up a computation and performs the appropriate optimizations. Energies, forces, stresses, material geometries, and electron density configurations are some of the values that can be output throughout the optimization. New version program summaryProgram Title: PROFESS Catalogue identifier: AEBN_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEBN_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 68 721 No. of bytes in distributed program, including test data, etc.: 1 708 547 Distribution format: tar.gz Programming language: Fortran 90 Computer: Intel with ifort; AMD Opteron with pathf90 Operating system: Linux Has the code been vectorized or parallelized?: Yes. Parallelization is implemented through domain composition using MPI. RAM: Problem dependent, but 2 GB is sufficient for up to 10,000 ions. Classification: 7.3 External routines: FFTW 2.1.5 ( http://www.fftw.org) Catalogue identifier of previous version: AEBN_v1_0 Journal reference of previous version: Comput. Phys. Comm. 179 (2008) 839 Does the new version supersede the previous version?: Yes Nature of problem: Given a set of coordinates describing the initial ion positions under periodic boundary conditions, recovers the ground state energy, electron density, ion positions, and cell lattice vectors predicted by orbital-free density functional theory. The computation of all terms is effectively linear scaling. Parallelization is implemented through domain decomposition, and up to ˜10,000 ions may be included in the calculation on just a single processor, limited by RAM. For example, when optimizing the geometry of ˜50,000 aluminum ions (plus vacuum) on 48 cores, a single iteration of conjugate gradient ion geometry optimization takes ˜40 minutes wall time. However, each CG geometry step requires two or more electron density optimizations, so step times will vary. Solution method: Computes energies as described in text; minimizes this energy with respect to the electron density, ion positions, and cell lattice vectors. Reasons for new version: To allow much larger systems to be simulated using PROFESS. Restrictions: PROFESS cannot use nonlocal (such as ultrasoft) pseudopotentials. A variety of local pseudopotential files are available at the Carter group website ( http://www.princeton.edu/mae/people/faculty/carter/homepage/research/localpseudopotentials/). Also, due to the current state of the kinetic energy functionals, PROFESS is only reliable for main group metals and some properties of semiconductors. Running time: Problem dependent: the test example provided with the code takes less than a second to run. Timing results for large scale problems are given in the PROFESS paper and Ref. [1].

Investigation of 3C-SiC/SiO2 interfacial point defects from ab initio g-tensor calculations and electron paramagnetic resonance measurements

NASA Astrophysics Data System (ADS)

Nugraha, T. A.; Rohrmueller, M.; Gerstmann, U.; Greulich-Weber, S.; Stellhorn, A.; Cantin, J. L.; von Bardeleben, J.; Schmidt, W. G.; Wippermann, S.

SiC is widely used in high-power, high-frequency electronic devices. Recently, it has also been employed as a building block in nanocomposites used as light absorbers in solar energy conversion devices. Analogous to Si, SiC features SiO2 as native oxide that can be used for passivation and insulating layers. However, a significant number of defect states are reported to form at SiC/SiO2 interfaces, limiting mobility and increasing recombination of free charge carriers. We investigated the growth of oxide on different 3C-SiC surfaces from first principles. Carbon antisite Csi defects are found to be strongly stabilized in particular at the interface, because carbon changes its hybridization from sp3 in the SiC-bulk to sp2 at the interface, creating a dangling bond inside a porous region of the SiO2 passivating layer. Combining ab initio g-tensor calculations and electron paramagnetic resonance (EPR) measurements, we show that Csi defects explain the measured EPR signatures, while the hyperfine structure allows to obtain local structural information of the oxide layer. Financial support from BMBF NanoMatFutur Grant 13N12972 and DFG priority program SPP-1601 is gratefully acknowledged.

High-quality ZnO growth, doping, and polarization effect

NASA Astrophysics Data System (ADS)

Kun, Tang; Shulin, Gu; Jiandong, Ye; Shunming, Zhu; Rong, Zhang; Youdou, Zheng

2016-03-01

The authors have reported their recent progress in the research field of ZnO materials as well as the corresponding global advance. Recent results regarding (1) the development of high-quality epitaxy techniques, (2) the defect physics and the Te/N co-doping mechanism for p-type conduction, and (3) the design, realization, and properties of the ZnMgO/ZnO hetero-structures have been shown and discussed. A complete technology of the growth of high-quality ZnO epi-films and nano-crystals has been developed. The co-doping of N plus an iso-valent element to oxygen has been found to be the most hopeful path to overcome the notorious p-type hurdle. High mobility electrons have been observed in low-dimensional structures utilizing the polarization of ZnMgO and ZnO. Very different properties as well as new physics of the electrons in 2DEG and 3DES have been found as compared to the electrons in the bulk. Project supported by the National Natural Science Foundation of China (Nos. 61025020, 61274058, 61322403, 61504057, 61574075), the Natural Science Foundation of Jiangsu Province (Nos. BK2011437, BK20130013, BK20150585), the Priority Academic Program Development of Jiangsu Higher Education Institutions, and the Fundamental Research Funds for the Central Universities.

Smart patch piezoceramic actuator issues

NASA Technical Reports Server (NTRS)

Griffin, Steven F.; Denoyer, Keith K.; Yost, Brad

1993-01-01

The Phillips Laboratory is undertaking the challenge of finding new and innovative ways to integrate sensing, actuation, and the supporting control and power electronics into a compact self-contained unit to provide vibration suppression for a host structure. This self-contained unit is commonly referred to as a smart patch. The interfaces to the smart patch will be limited to standard spacecraft power and possibly a communications line. The effort to develop a smart patch involves both contractual and inhouse programs which are currently focused on miniaturization of the electronics associated with vibrational control using piezoceramic sensors and actuators. This paper is comprised of two distinct parts. The first part examines issues associated with bonding piezoceramic actuators to a host structure. Experimental data from several specimens with varying flexural stiffness are compared to predictions from two piezoelectric/substructure coupling models, the Blocked Force Model and the Uniform Strain Model with Perfect Bonding. The second part of the paper highlights a demonstration article smart patch created using the insights gained from inhouse efforts at the Phillips Laboratory. This demonstration article has self contained electronics on the same order of size as the actuator powered by a voltage differential of approximately 32 volts. This voltage is provided by four rechargeable 8 volt batteries.

Solar X-ray Astronomy Sounding Rocket Program

NASA Technical Reports Server (NTRS)

Moses, J. Daniel

1989-01-01

Several broad objectives were pursued by the development and flight of the High Resolution Soft X-Ray Imaging Sounding Rocket Payload, followed by the analysis of the resulting data and by comparison with both ground based and space based observations from other investigators. The scientific objectives were: to study the thermal equilibrium of active region loop systems by analyzing the X-ray observations to determine electron temperatures, densities, and pressures; by recording the changes in the large scale coronal structures from the maximum and descending phases of Cycle 21 to the ascending phase of Cycle 22; and to extend the study of small scale coronal structures through the minimum of Cycle 21 with new emphasis on correlative observations.

Electronic health communication: an educational application for this principle of the Patient-centered Medical Home.

PubMed

Barnhart, Amber; Lausen, Harald; Smith, Tracey; Lopp, Lauri

2010-05-01

The Patient-centered Medical Home (PCMH) relies on comprehensive, consistent, and accessible communication for the patient with all members of their health care team. "E-medicine" and health information technology (HIT) create many new possibilities in addition to standard face-to-face encounters. There is interest by both physicians and patients for enhanced access through electronic communication. However, there is little published literature regarding specific educational programs for medical professionals using electronic communication with patients. Faculty in a required 6-week family medicine clerkship developed, implemented, and evaluated an electronic health communication curriculum. This curriculum consists of a didactic session on electronic health communication including anticipated errors of communication and common clinical pitfalls. Each clerkship student receives a weekly e-mail from a standardized patient centered on a clinical question. Additionally, each e-mail contains a different communication challenge or predicted error. Students receive feedback each week on the e-mails and are evaluated with an objective structured clinical exam (OSCE) during the final week. The results of the weekly e-mails and the final OSCE show that students improve overall but continue to make predicted errors in communication despite didactic instruction and actual practice. These results reinforce the need for medical student education on electronic health communication with patients.

Structure and assembly of scalable porous protein cages

NASA Astrophysics Data System (ADS)

Sasaki, Eita; Böhringer, Daniel; van de Waterbeemd, Michiel; Leibundgut, Marc; Zschoche, Reinhard; Heck, Albert J. R.; Ban, Nenad; Hilvert, Donald

2017-03-01

Proteins that self-assemble into regular shell-like polyhedra are useful, both in nature and in the laboratory, as molecular containers. Here we describe cryo-electron microscopy (EM) structures of two versatile encapsulation systems that exploit engineered electrostatic interactions for cargo loading. We show that increasing the number of negative charges on the lumenal surface of lumazine synthase, a protein that naturally assembles into a ~1-MDa dodecahedron composed of 12 pentamers, induces stepwise expansion of the native protein shell, giving rise to thermostable ~3-MDa and ~6-MDa assemblies containing 180 and 360 subunits, respectively. Remarkably, these expanded particles assume unprecedented tetrahedrally and icosahedrally symmetric structures constructed entirely from pentameric units. Large keyhole-shaped pores in the shell, not present in the wild-type capsid, enable diffusion-limited encapsulation of complementarily charged guests. The structures of these supercharged assemblies demonstrate how programmed electrostatic effects can be effectively harnessed to tailor the architecture and properties of protein cages.

42 CFR 423.159 - Electronic prescription drug program.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 42 Public Health 3 2010-10-01 2010-10-01 false Electronic prescription drug program. 423.159 Section 423.159 Public Health CENTERS FOR MEDICARE & MEDICAID SERVICES, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) MEDICARE PROGRAM VOLUNTARY MEDICARE PRESCRIPTION DRUG BENEFIT Cost Control and Quality...

The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory

NASA Astrophysics Data System (ADS)

Lourderaj, Upakarasamy; Sun, Rui; Kohale, Swapnil C.; Barnes, George L.; de Jong, Wibe A.; Windus, Theresa L.; Hase, William L.

2014-03-01

The interface for VENUS and NWChem, and the resulting software package for direct dynamics simulations are described. The coupling of the two codes is considered to be a tight coupling since the two codes are compiled and linked together and act as one executable with data being passed between the two codes through routine calls. The advantages of this type of coupling are discussed. The interface has been designed to have as little interference as possible with the core codes of both VENUS and NWChem. VENUS is the code that propagates the direct dynamics trajectories and, therefore, is the program that drives the overall execution of VENUS/NWChem. VENUS has remained an essentially sequential code, which uses the highly parallel structure of NWChem. Subroutines of the interface that accomplish the data transmission and communication between the two computer programs are described. Recent examples of the use of VENUS/NWChem for direct dynamics simulations are summarized.

Programming Nanoparticles in Multiscale: Optically Modulated Assembly and Phase Switching of Silicon Nanoparticle Array.

PubMed

Wang, Letian; Rho, Yoonsoo; Shou, Wan; Hong, Sukjoon; Kato, Kimihiko; Eliceiri, Matthew; Shi, Meng; Grigoropoulos, Costas P; Pan, Heng; Carraro, Carlo; Qi, Dongfeng

2018-03-27

Manipulating and tuning nanoparticles by means of optical field interactions is of key interest for nanoscience and applications in electronics and photonics. We report scalable, direct, and optically modulated writing of nanoparticle patterns (size, number, and location) of high precision using a pulsed nanosecond laser. The complex nanoparticle arrangement is modulated by the laser pulse energy and polarization with the particle size ranging from 60 to 330 nm. Furthermore, we report fast cooling-rate induced phase switching of crystalline Si nanoparticles to the amorphous state. Such phase switching has usually been observed in compound phase change materials like GeSbTe. The ensuing modification of atomic structure leads to dielectric constant switching. Based on these effects, a multiscale laser-assisted method of fabricating Mie resonator arrays is proposed. The number of Mie resonators, as well as the resonance peaks and dielectric constants of selected resonators, can be programmed. The programmable light-matter interaction serves as a mechanism to fabricate optical metasurfaces, structural color, and multidimensional optical storage devices.

Going virtual with quicktime VR: new methods and standardized tools for interactive dynamic visualization of anatomical structures.

PubMed

Trelease, R B; Nieder, G L; Dørup, J; Hansen, M S

2000-04-15

Continuing evolution of computer-based multimedia technologies has produced QuickTime, a multiplatform digital media standard that is supported by stand-alone commercial programs and World Wide Web browsers. While its core functions might be most commonly employed for production and delivery of conventional video programs (e.g., lecture videos), additional QuickTime VR "virtual reality" features can be used to produce photorealistic, interactive "non-linear movies" of anatomical structures ranging in size from microscopic through gross anatomic. But what is really included in QuickTime VR and how can it be easily used to produce novel and innovative visualizations for education and research? This tutorial introduces the QuickTime multimedia environment, its QuickTime VR extensions, basic linear and non-linear digital video technologies, image acquisition, and other specialized QuickTime VR production methods. Four separate practical applications are presented for light and electron microscopy, dissectable preserved specimens, and explorable functional anatomy in magnetic resonance cinegrams.

Modeling and using a web-based and tutored portfolio to support certification of professional competence in transfusion medicine

PubMed Central

Staccini, Pascal; Rouger, Philippe

2008-01-01

In order to manage a nationwide assessment program leading to certification of professional competence in blood transfusion throughout France, the National Institute of Blood Transfusion (INTS) and the University of Nice-Sophia Antipolis designed and developed a structured and tutored web-based portfolio. The entire process of certification has been approved by the national healthcare agency (HAS). Eleven assessment programs have been written. The structure of this e-portfolio is based on a matrix of actions defined according to standards of practice. For each action, elements of proof are uploaded by the physician and peer-reviewed by an expert (a tutor) before validation. The electronic portfolio stores all the history of the actions performed by users. This tracking feature generates alerts which are e-mailed to users (physicians and tutors) according to a list of monitored events. After one year of design and development, the application is now being used routinely. PMID:18999167

Students' Use of Electronic Support Tools in Mathematics

ERIC Educational Resources Information Center

Crawford, Lindy; Higgins, Kristina N.; Huscroft-D'Angelo, Jacqueline N.; Hall, Lindsay

2016-01-01

This study investigated students' use of electronic support tools within a computer-based mathematics program. Electronic support tools are tools, such as hyperlinks or calculators, available within many computer-based instructional programs. A convenience sample of 73 students in grades 4-6 was selected to participate in the study. Students…

Beginning Blueprint: Electronic Exhibits for a Teacher Education Accreditation Council Academic Audit

ERIC Educational Resources Information Center

Koonce, Glenn L.; Hoskins, Joan J.; Goldman, Katie D.

2012-01-01

This study illustrates the development, usability, and advantages of an electronic exhibit for the TEAC (Teacher Education Accreditation Council) academic audit from the perspective of program education faculty. The examination of the successful utilization of electronic exhibits for teacher licensure and educational leadership program IBs…

78 FR 77121 - Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of New York

Federal Register 2010, 2011, 2012, 2013, 2014

2013-12-20

... ENVIRONMENTAL PROTECTION AGENCY [FRL-9904-29-OEI] Cross-Media Electronic Reporting: Authorized Program Revision Approval, State of New York AGENCY: Environmental Protection Agency (EPA). ACTION: Notice... INFORMATION: On October 13, 2005, the final Cross-Media Electronic Reporting Rule (CROMERR) was published in...

Information Business: Applying Infometry (Informational Geometry) in Cognitive Coordination and Genetic Programming for Electronic Information Packaging and Marketing.

ERIC Educational Resources Information Center

Tsai, Bor-sheng

1994-01-01

Describes the use of infometry, or informational geometry, to meet the challenges of information service businesses. Highlights include theoretical models for cognitive coordination and genetic programming; electronic information packaging; marketing electronic information products, including cost-benefit analyses; and recapitalization, including…

The Key Ingredients of the Electronic Structure of FeSe

NASA Astrophysics Data System (ADS)

Coldea, Amalia I.; Watson, Matthew D.

2018-03-01

FeSe is a fascinating superconducting material at the frontier of research in condensed matter physics. Here, we provide an overview of the current understanding of the electronic structure of FeSe, focusing in particular on its low-energy electronic structure as determined from angle-resolved photoemission spectroscopy, quantum oscillations, and magnetotransport measurements of single-crystal samples. We discuss the unique place of FeSe among iron-based superconductors, as it is a multiband system exhibiting strong orbitally dependent electronic correlations and unusually small Fermi surfaces and is prone to different electronic instabilities. We pay particular attention to the evolution of the electronic structure that accompanies the tetragonal-orthorhombic structural distortion of the lattice around 90 K, which stabilizes a unique nematic electronic state. Finally, we discuss how the multiband multiorbital nematic electronic structure impacts our understanding of the superconductivity, and show that the tunability of the nematic state with chemical and physical pressure helps to disentangle the role of different competing interactions relevant for enhancing superconductivity.

Taking an Antibiotic Time-out: Utilization and Usability of a Self-Stewardship Time-out Program for Renewal of Vancomycin and Piperacillin-Tazobactam.

PubMed

Graber, Christopher J; Jones, Makoto M; Glassman, Peter A; Weir, Charlene; Butler, Jorie; Nechodom, Kevin; Kay, Chad L; Furman, Amy E; Tran, Thuong T; Foltz, Christopher; Pollack, Lori A; Samore, Matthew H; Goetz, Matthew Bidwell

2015-11-01

Antibiotic time-outs can promote critical thinking and greater attention to reviewing indications for continuation. We pilot tested an antibiotic time-out program at a tertiary care teaching hospital where vancomycin and piperacillin-tazobactam continuation past day 3 had previously required infectious diseases service approval. The time-out program consisted of 3 components: (1) an electronic antimicrobial dashboard that aggregated infection-relevant clinical data; (2) a templated note in the electronic medical record that included a structured review of antibiotic indications and that provided automatic approval of continuation of therapy when indicated; and (3) an educational and social marketing campaign. In the first 6 months of program implementation, vancomycin was discontinued by day 5 in 93/145 (64%) courses where a time-out was performed on day 4 versus in 96/199 (48%) 1 year prior (P = .04). Seven vancomycin continuations via template (5% of time-outs) were guideline-discordant by retrospective chart review versus none 1 year prior (P = .002). Piperacillin-tazobactam was discontinued by day 5 in 70/105 (67%) courses versus 58/93 (62%) 1 year prior (P = .55); 9 continuations (9% of time-outs) were guideline-discordant versus two 1 year prior (P = .06). A usability survey completed by 32 physicians demonstrated modest satisfaction with the overall program, antimicrobial dashboard, and renewal templates. By providing practitioners with clinical informatics support and guidance, the intervention increased provider confidence in making decisions to de-escalate antimicrobial therapy in ambiguous circumstances wherein they previously sought authorization for continuation from an antimicrobial steward.

Propulsion control experience used in the Highly Integrated Digital Electronic Control (HIDEC) program

NASA Technical Reports Server (NTRS)

Myers, L. P.; Burcham, F. W., Jr.

1984-01-01

The highly integrated digital electronic control (HIDEC) program will integrate the propulsion and flight control systems on an F-15 airplane at NASA Ames Research Center's Dryden Flight Research Facility. Ames-Dryden has conducted several propulsion control programs that have contributed to the HIDEC program. The digital electronic engine control (DEEC) flight evaluation investigated the performance and operability of the F100 engine equipped with a full-authority digital electronic control system. Investigations of nozzle instability, fault detection and accommodation, and augmentor transient capability provided important information for the HIDEC program. The F100 engine model derivative (EMD) was also flown in the F-15 airplane, and airplane performance was significantly improved. A throttle response problem was found and solved with a software fix to the control logic. For the HIDEC program, the F100 EMD engines equipped with DEEC controls will be integrated with the digital flight control system. The control modes to be implemented are an integrated flightpath management mode and an integrated adaptive engine control system mode. The engine control experience that will be used in the HIDEC program is discussed.

Predicting the valley physics of silicon quantum dots directly from a device layout

NASA Astrophysics Data System (ADS)

Gamble, John King; Harvey-Collard, Patrick; Jacobson, N. Tobias; Bacewski, Andrew D.; Nielsen, Erik; Montaño, Inès; Rudolph, Martin; Carroll, Malcolm S.; Muller, Richard P.

Qubits made from electrostatically-defined quantum dots in Si-based systems are excellent candidates for quantum information processing applications. However, the multi-valley structure of silicon's band structure provides additional challenges for the few-electron physics critical to qubit manipulation. Here, we present a theory for valley physics that is predictive, in that we take as input the real physical device geometry and experimental voltage operation schedule, and with minimal approximation compute the resulting valley physics. We present both effective mass theory and atomistic tight-binding calculations for two distinct metal-oxide-semiconductor (MOS) quantum dot systems, directly comparing them to experimental measurements of the valley splitting. We conclude by assessing these detailed simulations' utility for engineering desired valley physics in future devices. Sandia is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. The authors gratefully acknowledge support from the Sandia National Laboratories Truman Fellowship Program, which is funded by the Laboratory Directed Research and Development (LDRD) Program.

A distorted-wave methodology for electron-ion impact excitation - Calculation for two-electron ions

NASA Technical Reports Server (NTRS)

Bhatia, A. K.; Temkin, A.

1977-01-01

A distorted-wave program is being developed for calculating the excitation of few-electron ions by electron impact. It uses the exchange approximation to represent the exact initial-state wavefunction in the T-matrix expression for the excitation amplitude. The program has been implemented for excitation of the 2/1,3/(S,P) states of two-electron ions. Some of the astrophysical applications of these cross sections as well as the motivation and requirements of the calculational methodology are discussed.

Test report: Shock test of the electron/proton spectrometer structural test unit

NASA Technical Reports Server (NTRS)

Vincent, D. L.

1972-01-01

A shock test of the electron-proton spectrometer structural test unit was conducted. The purpose of the shock test was to verify the structural integrity of the electron-spectrometer design and to obtain data on the shock response of the electronics and electronic housing. The test equipment is described and typical shock response data are provided.

Theoretical investigation of the electronic structure of a substituted nickel phthalocyanine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaur, Prabhjot, E-mail: prabhphysics@gmail.com; Sachdeva, Ritika; Singh, Sukhwinder

2016-05-23

The optimized geometry and electronic structure of an organic compound nickel phthalocyanine tetrasulfonic acid tetra sodium salt have been investigated using density functional theory. We have also optimized the structure of nickel phthalocyanine tetrasulfonic acid tetra sodium salt in dimethyl sulfoxide to study effects of solvent on the electronic structure and transitions. Experimentally, the electronic transitions have been studied using UV-VIS spectroscopic technique. It is observed that the electronic transitions obtained from the theoretical studies generally agree with the experiment.

Ultrafast electron transport across nano gaps in nanowire circuits

DOE Office of Scientific and Technical Information (OSTI.GOV)

Potma, Eric O.

In this Program we aim for a closer look at electron transfer through single molecules. To achieve this, we use ultrafast laser pulses to time stamp an electron tunneling event in a molecule that is connected between two metallic electrodes, while reading out the electron current. A key aspect of this project is the use of metallic substrates with plasmonic activity to efficiently manipulate the tunneling probability. The first Phase of this program is concerned with developing highly sensitive tools for the ultrafast optical manipulation of tethered molecules through the evanescent surface field of plasmonic substrates. The second Phase ofmore » the program aims to use these tools for exercising control over the electron tunneling probability.« less

Symbolic Algebra Development for Higher-Order Electron Propagator Formulation and Implementation.

PubMed

Tamayo-Mendoza, Teresa; Flores-Moreno, Roberto

2014-06-10

Through the use of symbolic algebra, implemented in a program, the algebraic expression of the elements of the self-energy matrix for the electron propagator to different orders were obtained. In addition, a module for the software package Lowdin was automatically generated. Second- and third-order electron propagator results have been calculated to test the correct operation of the program. It was found that the Fortran 90 modules obtained automatically with our algorithm succeeded in calculating ionization energies with the second- and third-order electron propagator in the diagonal approximation. The strategy for the development of this symbolic algebra program is described in detail. This represents a solid starting point for the automatic derivation and implementation of higher-order electron propagator methods.

Site-specific electronic structure analysis by channeling EELS and first-principles calculations.

PubMed

Tatsumi, Kazuyoshi; Muto, Shunsuke; Yamamoto, Yu; Ikeno, Hirokazu; Yoshioka, Satoru; Tanaka, Isao

2006-01-01

Site-specific electronic structures were investigated by electron energy loss spectroscopy (EELS) under electron channeling conditions. The Al-K and Mn-L(2,3) electron energy loss near-edge structure (ELNES) of, respectively, NiAl2O4 and Mn3O4 were measured. Deconvolution of the raw spectra with the instrumental resolution function restored the blunt and hidden fine features, which allowed us to interpret the experimental spectral features by comparing with theoretical spectra obtained by first-principles calculations. The present method successfully revealed the electronic structures specific to the differently coordinated cationic sites.

Positron Annihilation Measurements of High Temperature Superconductors

NASA Astrophysics Data System (ADS)

Jung, Kang

1995-01-01

The temperature dependence of positron annihilation parameters has been measured for basic YBCO, Dy-doped, and Pr-doped superconducting compounds. The physical properties, such as crystal structure, electrical resistance, and critical temperature, have been studied for all samples. In the basic YBCO and Dy-doped samples, the defect -related lifetime component tau_{2 } was approximately constant from room temperature to above the critical temperature and then showed a step -like decrease in the temperature range 90K { ~} 40K. No significant temperature dependence was found in the short- and long-lifetime components, tau_{1} and tau_{3}. The x-ray diffraction data showed that the crystal structure of these two samples was almost the same. These results indicated that the electronic structure changed below the critical temperature. No transition was observed in the Pr-doped YBCO sample. The advanced computer program "PFPOSFIT" for positron lifetime analysis was modified to run on the UNIX system of the University of Utah. The destruction of superconductivity with Pr doping may be due to mechanisms such as hole filling or hole localization of the charge carriers and may be related to the valence state of the Pr ion. One-parameter analyses like the positron mean lifetime parameter and the Doppler line shape parameter S also have been studied. It was found that a transition in Doppler line shape parameter S was associated with the superconducting transition temperature in basic YBCO, Dy -doped, and 0.5 Pr-doped samples, whereas no transition was observed in the nonsuperconducting Pr-doped sample. The Doppler results indicate that the average electron momentum at the annihilation sites increases as temperature is lowered across the superconducting transition range and that electronic structure change plays an important role in high temperature superconductivity.

Energy Gradients Structure Microbial Communities Across Sediment Horizons in Deep Marine Sediments of the South China Sea

PubMed Central

Graw, Michael F.; D'Angelo, Grace; Borchers, Matthew; Thurber, Andrew R.; Johnson, Joel E.; Zhang, Chuanlun; Liu, Haodong; Colwell, Frederick S.

2018-01-01

The deep marine subsurface is a heterogeneous environment in which the assembly of microbial communities is thought to be controlled by a combination of organic matter deposition, electron acceptor availability, and sedimentology. However, the relative importance of these factors in structuring microbial communities in marine sediments remains unclear. The South China Sea (SCS) experiences significant variability in sedimentation across the basin and features discrete changes in sedimentology as a result of episodic deposition of turbidites and volcanic ashes within lithogenic clays and siliceous or calcareous ooze deposits throughout the basin's history. Deep subsurface microbial communities were recently sampled by the International Ocean Discovery Program (IODP) at three locations in the SCS with sedimentation rates of 5, 12, and 20 cm per thousand years. Here, we used Illumina sequencing of the 16S ribosomal RNA gene to characterize deep subsurface microbial communities from distinct sediment types at these sites. Communities across all sites were dominated by several poorly characterized taxa implicated in organic matter degradation, including Atribacteria, Dehalococcoidia, and Aerophobetes. Sulfate-reducing bacteria comprised only 4% of the community across sulfate-bearing sediments from multiple cores and did not change in abundance in sediments from the methanogenic zone at the site with the lowest sedimentation rate. Microbial communities were significantly structured by sediment age and the availability of sulfate as an electron acceptor in pore waters. However, microbial communities demonstrated no partitioning based on the sediment type they inhabited. These results indicate that microbial communities in the SCS are structured by the availability of electron donors and acceptors rather than sedimentological characteristics. PMID:29696012

Microstructural and mineralogical characterization of selected shales in support of nuclear waste repository studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, S.Y.; Hyder, L.K.; Alley, P.D.

1988-01-01

Five shales were examined as part of the Sedimentary Rock Program evaluation of this medium as a potential host for a US civilian nuclear waste repository. The units selected for characterization were the Chattanooga Shale from Fentress County, Tennessee; the Pierre Shale from Gregory County, South Dakota; the Green River Formation from Garfield County, Colorado; and the Nolichucky Shale and Pumpkin Valley Shale from Roane County, Tennessee. The micromorphology and structure of the shales were examined by petrographic, scanning electron, and high-resolution transmission electron microscopy. Chemical and mineralogical compositions were studied through the use of energy-dispersive x-ray, neutron activation, atomicmore » absorption, thermal, and x-ray diffraction analysis techniques. 18 refs., 12 figs., 2 tabs.« less

Elastic Gauge Fields in Weyl Semimetals

NASA Astrophysics Data System (ADS)

Cortijo, Alberto; Ferreiros, Yago; Landsteiner, Karl; Hernandez Vozmediano, Maria Angeles

We show that, as it happens in graphene, elastic deformations couple to the electronic degrees of freedom as pseudo gauge fields in Weyl semimetals. We derive the form of the elastic gauge fields in a tight-binding model hosting Weyl nodes and see that this vector electron-phonon coupling is chiral, providing an example of axial gauge fields in three dimensions. As an example of the new response functions that arise associated to these elastic gauge fields, we derive a non-zero phonon Hall viscosity for the neutral system at zero temperature. The axial nature of the fields provides a test of the chiral anomaly in high energy with three axial vector couplings. European Union structural funds and the Comunidad de Madrid MAD2D-CM Program (S2013/MIT-3007).

Development of Traveling Wave Tube (TWT) transmitter amplifier for communication satellites 60 GHz/10 W

NASA Astrophysics Data System (ADS)

Lippert, G.; Bluhm, K. H.; Malzahn, P.; Bulka, C.

1985-12-01

For communication between geostationary satellites a transmitter using a TWT amplifier with frequencies in the region of 60 GHz and output power of a few watts is proposed. The design objectives for the electron gun were realized using a computer program, which also takes into account the thermal velocities of the electrons, to dimension the electrodes. A focusing electrode and a mixed metal cathode with a low beam compression ratio are employed in the gun. All requirements for the beam focusing system are met using an extremely precise machined integrated PPM system and SmCo5 magnets. An easily manufacturable delay line structure was realized using a diffusion brazed interdigital line consisting of only a few parts. The one stage collector can operate with a strongly reduced potential.

The RICH detector of the CBM experiment

NASA Astrophysics Data System (ADS)

Adamczewski-Musch, J.; Akishin, P.; Becker, K.-H.; Belogurov, S.; Bendarouach, J.; Boldyreva, N.; Deveaux, C.; Dobyrn, V.; Dürr, M.; Eschke, J.; Förtsch, J.; Heep, J.; Höhne, C.; Kampert, K.-H.; Kochenda, L.; Kopfer, J.; Kravtsov, P.; Kres, I.; Lebedev, S.; Lebedeva, E.; Leonova, E.; Linev, S.; Mahmoud, T.; Michel, J.; Miftakhov, N.; Niebur, W.; Ovcharenko, E.; Patel, V.; Pauly, C.; Pfeifer, D.; Querchfeld, S.; Rautenberg, J.; Reinecke, S.; Riabov, Y.; Roshchin, E.; Samsonov, V.; Schetinin, V.; Tarasenkova, O.; Traxler, M.; Ugur, C.; Vznuzdaev, E.; Vznuzdaev, M.

2017-12-01

The CBM-RICH detector is designed to identify electrons with momenta up to 8 GeV/c and high purity as this is essential for the CBM physics program. The detector consist of a CO2-gaseous radiator, a spherical mirror system, and Multi-Anode PhotoMultiplier Tubes (MAPMT) of type H12700 from Hamamatsu as photon detectors. The detector concept was verified through R&D studies and a laterally scaled prototype. The results were summarized in a TDR, in which open issues were defined concerning the readout electronics, the shielding of the magnetic stray field in the MAPMT region, the radiation hardness of the MAPMT sensors, and the mechanical holding structure of the mirror system. In this article an overview is given on the CBM RICH development with focus on those open issues.

From Prototype to Production: Lessons Learned from the Evolution of an EHR Educational Portal

PubMed Central

Borycki, Elizabeth M.; Armstrong, Brian; Kushniruk, Andre W.

2009-01-01

The use of electronic health records is rapidly increasing. However, the integration of this technology into the education of health professionals and health informaticians has largely remained to be explored. In this paper we describe an approach to providing remote access to electronic health records for use in health professional and health informatics education at the undergraduate and graduate levels. The University of Victoria EHR Educational Portal was designed by the authors to allow for remote Web-based access by students to a range of systems hosted on the portal. Architectural considerations and the evolution of the portal structure from prototype to production system are described. The paper also describes our initial applications of the approach in integrating EHRs into nursing, medical and health informatics educational programs. PMID:20351822

Automating tasks in protein structure determination with the clipper python module

PubMed Central

McNicholas, Stuart; Croll, Tristan; Burnley, Tom; Palmer, Colin M.; Hoh, Soon Wen; Jenkins, Huw T.; Dodson, Eleanor

2017-01-01

Abstract Scripting programming languages provide the fastest means of prototyping complex functionality. Those with a syntax and grammar resembling human language also greatly enhance the maintainability of the produced source code. Furthermore, the combination of a powerful, machine‐independent scripting language with binary libraries tailored for each computer architecture allows programs to break free from the tight boundaries of efficiency traditionally associated with scripts. In the present work, we describe how an efficient C++ crystallographic library such as Clipper can be wrapped, adapted and generalized for use in both crystallographic and electron cryo‐microscopy applications, scripted with the Python language. We shall also place an emphasis on best practices in automation, illustrating how this can be achieved with this new Python module. PMID:28901669

The LEBIT ion cooler and buncher

NASA Astrophysics Data System (ADS)

Schwarz, S.; Bollen, G.; Ringle, R.; Savory, J.; Schury, P.

2016-04-01

This paper presents a detailed description of the ion cooler and buncher, installed at the Low Energy Beam and Ion Trap Facility (LEBIT) at the National Superconducting Cyclotron Laboratory (NSCL). NSCL uses gas stopping to provide rare isotopes from projectile fragmentation for its low-energy physics program and to the re-accelerator ReA. The LEBIT ion buncher converts the continuous rare-isotope beam, delivered from the gas stopping cell, into short, low-emittance ion pulses, required for high-precision mass measurements with a 9.4 T Penning trap mass spectrometer. Operation at cryogenic temperatures, a simplified electrode structure and dedicated rugged electronics contribute to the high performance and reliability of the device, which have been essential to the successful LEBIT physics program since 2005.

The NASA Electronic Parts and Packaging (NEPP) Program: NEPP Overview - Automotive Electronics

NASA Technical Reports Server (NTRS)

LaBel, Kenneth A.; Sampson, Michael J.

2016-01-01

The results of NASAs studies into the appropriateness of using U.S. Automotive electronic parts in NASA spaceflight systems will be presented. The first part of the presentation provides an overview of the United States Automotive Electronics Council's AECQ standardization program, the second part provides a summary of the results of NASA's procurement and testing experiences and other lessons learned along with preliminary test results.

Mentornet - E-Mentoring for Women Students in Engineering and Science

NASA Astrophysics Data System (ADS)

Single, Peg Boyle; Muller, Carol B.; Cunningham, Christine M.; Single, Richard M.; Carlsen, William S.

MentorNet www.MentorNet.net;, the E-Mentoring Network for Diversity in Engineering and Science, addresses the underrepresentation of women in science, technology, engineering, and mathematics "STEM". MentorNet offers a multiinstitutional, structured, electronic mentoring "e-mentoring" program that pairs undergraduate and graduate students, primarily women, with professionals and supports them through e-mentoring relationships of specified lengths. The program evaluations established that over 90% of the participants would recommend MentorNet to a friend or colleague. The e-mentoring program allowed participants to establish satisfactory and beneficial e-mentoring relationships based on investments of approximately 20 minutes per week - in between more serious exchanges, email exchanges that included light-hearted social interactions and jokes were an important aspect of sustaining e-mentoring relationships. Participation in MentorNet increased the students' self-confidence in their f elds - desire to obtain work in industry, national laboratories, or national agencies; and intent to pursue careers in their fields. Three years of evaluation results support the need for and efficacy of the program.

[E-mail in psychotherapy--an aftercare model via electronic mail for psychotherapy inpatients].

PubMed

Wolf, Markus; Maurer, Wolf-Jürgen; Dogs, Peter; Kordy, Hans

2006-01-01

We introduce an aftercare program for psychotherapy inpatients, which is based on regular communication via E-mail. The organizational and operational structure of the program are described within the context of computer mediated communication. First results on utilization and acceptance are reported. In comparison to patients who did not participate in either aftercare program of the clinic, the E-mail participants are younger and higher educated. Inpatient treatment of the participants was three days shorter in duration than that of non participants. Both groups were similar with regard to symptom distress at discharge from hospital. A low dropout rate of 8%, the high activity and satisfaction emphasize the positive acceptance of the program. Therapists' E-mail activity turned out to be important for the participants. Neither age, internet experience or symptom related variables nor the own E-mail activity were associated with participants' evaluation of the new service. Based on these first positive experiences the perspectives of using E-mail in psychotherapy will be discussed.

Electronic and structural properties of Lu under pressure: Relation to structural phases of the rare-earth metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Min, B.I.; Oguchi, T.; Jansen, H.J.F.

1986-07-15

Ground-state electronic and structural properties of Lu under pressure are investigated with use of the self-consistent all-electron total-energy linear muffin-tin orbital band-structure method within a local-density-functional approximation. Pressure-induced structural transitions are found to occur in the following sequence: hcp--(Sm-type)--dhcp--fcc, which is the same as that observed in the crystal structures of the trivalent rare-earth metals with decreasing atomic number. This structural transition is correlated with the increase in the number of d-italic electrons under pressure.

a Study of the Tungsten (001) Surface Using Low Energy Electron Diffraction and Other Electron Spectroscopies.

NASA Astrophysics Data System (ADS)

Kalceff, Marion Anne Stevens

The properties of the clean Tungsten (001) surfaces (both (1 x 1) and reconstructed (SQRT.(2 x SQRT.(2)R45(DEGREES) phases) and the effects of the common absorbates Hydrogen and Oxygen have been investigated using the techniques of Low Energy Electron Diffraction, Auger Electron Spectroscopy and Characteristic Electron Energy Loss Spectroscopy. The origins of features observed in Characteristic Energy Loss Spectra, very low energy (<10 eV) Secondary Electron Emission spectra and low energy (<40 eV) Auger spectra, are deduced and compared with recent relevant independently obtained theoretical data and with other, sometimes conflicting, analyses. The use of these spectroscopies as monitors of surface cleanliness is evaluated. In particular a previously unreported emission, observed during Oxygen adsorption, is attributed to an Auger transition involving the Oxygen 2s and 2p adsorbate levels. Experimental conventional LEED and improved resolution very low energy intensity versus energy spectra are compared with Dynamical spectra, calculated using the program package of M. A. Van Hove and S. Y. Tong or calculated by R. O. Jones using a previously determined saturated image barrier, within a spin dependent scattering model, respectively. Structural information about the clean (1 x 1), clean reconstructed (SQRT.(2 x SQRT.(2)R45(DEGREES) and Hydrogen saturated (1 x 1)-H surfaces have been obtained via visual comparison or R factor (E. Zanazzi and F. Jona) analysis of the conventional data. The conventional methods of LEED Intensity data collection are assessed and procedures to improve experimental reproducibility are proposed. From the analysis of the improved resolution data, and with reference to the corresponding set of very low energy electron reflection data also obtained for comparison, conclusions are made about the origins of fine structure observed in the experimental profiles and about the W(001) surface order before and after the temperature dependent reconstruction and during Hydrogen adsorption. Further information about the clean W(001)-(SQRT.(2 x SQRT.(2)R45(DEGREES) surface, including the clean surface transition temperature, the mode of reconstruction, and structural information is determined from the analyses of the LEED intensity pattern and temperature dependence. In particular it is found that the reconstruction involves both vertical and horizontal components of atomic displacement and is dependent upon the surface topography and defect structure. All results are evaluated in comparison with other relevant independent experimental or theoretical analyses, where possible.

Correlation between morphology, electron band structure, and resistivity of Pb atomic chains on the Si(5 5 3)-Au surface

NASA Astrophysics Data System (ADS)

Jałochowski, M.; Kwapiński, T.; Łukasik, P.; Nita, P.; Kopciuszyński, M.

2016-07-01

Structural and electron transport properties of multiple Pb atomic chains fabricated on the Si(5 5 3)-Au surface are investigated using scanning tunneling spectroscopy, reflection high electron energy diffraction, angular resolved photoemission electron spectroscopy and in situ electrical resistance. The study shows that Pb atomic chains growth modulates the electron band structure of pristine Si(5 5 3)-Au surface and hence changes its sheet resistivity. Strong correlation between chains morphology, electron band structure and electron transport properties is found. To explain experimental findings a theoretical tight-binding model of multiple atomic chains interacting on effective substrate is proposed.

Microgravity Program strategic plan, 1991

NASA Technical Reports Server (NTRS)

1991-01-01

The all encompassing objective of the NASA Microgravity Program is the use of space as a lab to conduct research and development. The on-orbit microgravity environment, with its substantially reduced buoyancy forces, hydrostatic pressures, and sedimentation, enables the conduction of scientific studies not possible on Earth. This environment allows processes to be isolated and controlled with an accuracy that cannot be obtained in the terrestrial environment. The Microgravity Science and Applications Div. has defined three major science categories in order to develop a program structure: fundamental science, including the study of the behavior of fluids, transport phenomena, condensed matter physics, and combustion science; materials science, including electronic and photonic materials, metals and alloys, and glasses and ceramics; and biotechnology, focusing on macromolecular crystal growth as well as cell and molecular science. Experiments in these areas seek to provide observations of complex phenomena and measurements of physical attributes with a precision that is enabled by the microgravity environment.

Cryo-vacuum testing of the JWST Integrated Science Instrument Module (SPIE)

NASA Technical Reports Server (NTRS)

Kimble, Randy A.; Vila, M. Begona; Van Campen, Julie; Birkmann, Stephan M.; Comber, Brian J.; Fatig, Curtis C.; Glasse, Alistair C. H.; Glazer, Stuart D.; Kelly, Douglas M.; Mann, Steven D.;

The NASA computer aided design and test system

NASA Technical Reports Server (NTRS)

Gould, J. M.; Juergensen, K.

1973-01-01

A family of computer programs facilitating the design, layout, evaluation, and testing of digital electronic circuitry is described. CADAT (computer aided design and test system) is intended for use by NASA and its contractors and is aimed predominantly at providing cost effective microelectronic subsystems based on custom designed metal oxide semiconductor (MOS) large scale integrated circuits (LSIC's). CADAT software can be easily adopted by installations with a wide variety of computer hardware configurations. Its structure permits ease of update to more powerful component programs and to newly emerging LSIC technologies. The components of the CADAT system are described stressing the interaction of programs rather than detail of coding or algorithms. The CADAT system provides computer aids to derive and document the design intent, includes powerful automatic layout software, permits detailed geometry checks and performance simulation based on mask data, and furnishes test pattern sequences for hardware testing.

75 FR 19959 - Energy Conservation Program for Consumer Products: Notice of Petition for Waiver of Samsung...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-04-16

... Conservation Program for Consumer Products: Notice of Petition for Waiver of Samsung Electronics America, Inc.... SUMMARY: This notice announces receipt of and publishes the Samsung Electronics America, Inc. (Samsung... information for the petitioner is: Mr. Michael Moss, Samsung Electronics America, Inc., 18600 Broadwick St...

76 FR 21881 - Energy Conservation Program for Consumer Products: Notice of Petition for Waiver of Samsung...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-04-19

... Conservation Program for Consumer Products: Notice of Petition for Waiver of Samsung Electronics America, Inc... comments. SUMMARY: This notice announces receipt of and publishes the Samsung Electronics America, Inc..., Samsung Electronics America, Inc., 18600 Broadwick Street, Rancho Dominguez, CA 90220. According to 10 CFR...

Energy Systems Integration News | Energy Systems Integration Facility |

Science.gov Websites

Control of Power Electronics in AC Systems and Microgrids. These courses will be part of a Professional Master's Program in Power Electronics offered through the university. Get more information on the program Scheme for the Voltage Control of a DFIG-Based Wind Power Plant, IEEE Transactions on Power Electronics

The NASA Electronic Parts and Packaging (NEPP) Program: Roadmap for FY15 and Beyond and Recent Radiation Highlights

NASA Technical Reports Server (NTRS)

LaBel, Kenneth A.; Sampson, Michael J.

2015-01-01

This presentation is a NASA Electronic Parts and Packaging (NEPP) Program: Roadmap for FY15 and Beyond. This roadmap provides a snapshot for current plans and collaborations on testing and evaluation of electronics as well as a discussion of the technology selection approach.

76 FR 11228 - Energy Conservation Program for Consumer Products: Notice of Petition for Waiver of LG...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-03-01

... Conservation Program for Consumer Products: Notice of Petition for Waiver of LG Electronics USA, Inc. From the... notice announces receipt of and publishes the LG Electronics USA, Inc. (LG) petition for waiver and... is: John I. Taylor, Vice President, Government Relations and Communications, LG Electronics USA, Inc...

75 FR 45623 - Energy Conservation Program for Consumer Products: Decision and Order Granting a Waiver to...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-08-03

... Conservation Program for Consumer Products: Decision and Order Granting a Waiver to Samsung Electronics America...-014) that grants to Samsung Electronics America, Inc. (Samsung) a waiver from the DOE electric... Energy. Decision and Order In the Matter of: Samsung Electronics America, Inc. (Case No. RF- 014...

The Use of Electronic Book Theft Detection Systems in Libraries.

ERIC Educational Resources Information Center

Witt, Thomas B.

1996-01-01

Although electronic book theft detection systems can be a deterrent to library material theft, no electronic system is foolproof, and a total security program is necessary to ensure collection security. Describes how book theft detection systems work, their effectiveness, and the problems inherent in technology. A total security program considers…