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Sample records for all-electron full potential

  1. Real-space electronic structure calculations with full-potential all-electron precision for transition metals

    NASA Astrophysics Data System (ADS)

    Ono, Tomoya; Heide, Marcus; Atodiresei, Nicolae; Baumeister, Paul; Tsukamoto, Shigeru; Blügel, Stefan

    2010-11-01

    We have developed an efficient computational scheme utilizing the real-space finite-difference formalism and the projector augmented-wave (PAW) method to perform precise first-principles electronic-structure simulations based on the density-functional theory for systems containing transition metals with a modest computational effort. By combining the advantages of the time-saving double-grid technique and the Fourier-filtering procedure for the projectors of pseudopotentials, we can overcome the egg box effect in the computations even for first-row elements and transition metals, which is a problem of the real-space finite-difference formalism. In order to demonstrate the potential power in terms of precision and applicability of the present scheme, we have carried out simulations to examine several bulk properties and structural energy differences between different bulk phases of transition metals and have obtained excellent agreement with the results of other precise first-principles methods such as a plane-wave-based PAW method and an all-electron full-potential linearized augmented plane-wave (FLAPW) method.

  2. exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory

    NASA Astrophysics Data System (ADS)

    Gulans, Andris; Kontur, Stefan; Meisenbichler, Christian; Nabok, Dmitrii; Pavone, Pasquale; Rigamonti, Santiago; Sagmeister, Stephan; Werner, Ute; Draxl, Claudia

    2014-09-01

    Linearized augmented planewave methods are known as the most precise numerical schemes for solving the Kohn-Sham equations of density-functional theory (DFT). In this review, we describe how this method is realized in the all-electron full-potential computer package, exciting. We emphasize the variety of different related basis sets, subsumed as (linearized) augmented planewave plus local orbital methods, discussing their pros and cons and we show that extremely high accuracy (microhartrees) can be achieved if the basis is chosen carefully. As the name of the code suggests, exciting is not restricted to ground-state calculations, but has a major focus on excited-state properties. It includes time-dependent DFT in the linear-response regime with various static and dynamical exchange-correlation kernels. These are preferably used to compute optical and electron-loss spectra for metals, molecules and semiconductors with weak electron-hole interactions. exciting makes use of many-body perturbation theory for charged and neutral excitations. To obtain the quasi-particle band structure, the GW approach is implemented in the single-shot approximation, known as G0W0. Optical absorption spectra for valence and core excitations are handled by the solution of the Bethe-Salpeter equation, which allows for the description of strongly bound excitons. Besides these aspects concerning methodology, we demonstrate the broad range of possible applications by prototypical examples, comprising elastic properties, phonons, thermal-expansion coefficients, dielectric tensors and loss functions, magneto-optical Kerr effect, core-level spectra and more.

  3. Exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory.

    PubMed

    Gulans, Andris; Kontur, Stefan; Meisenbichler, Christian; Nabok, Dmitrii; Pavone, Pasquale; Rigamonti, Santiago; Sagmeister, Stephan; Werner, Ute; Draxl, Claudia

    2014-09-10

    Linearized augmented planewave methods are known as the most precise numerical schemes for solving the Kohn-Sham equations of density-functional theory (DFT). In this review, we describe how this method is realized in the all-electron full-potential computer package, exciting. We emphasize the variety of different related basis sets, subsumed as (linearized) augmented planewave plus local orbital methods, discussing their pros and cons and we show that extremely high accuracy (microhartrees) can be achieved if the basis is chosen carefully. As the name of the code suggests, exciting is not restricted to ground-state calculations, but has a major focus on excited-state properties. It includes time-dependent DFT in the linear-response regime with various static and dynamical exchange-correlation kernels. These are preferably used to compute optical and electron-loss spectra for metals, molecules and semiconductors with weak electron-hole interactions. exciting makes use of many-body perturbation theory for charged and neutral excitations. To obtain the quasi-particle band structure, the GW approach is implemented in the single-shot approximation, known as G(0)W(0). Optical absorption spectra for valence and core excitations are handled by the solution of the Bethe-Salpeter equation, which allows for the description of strongly bound excitons. Besides these aspects concerning methodology, we demonstrate the broad range of possible applications by prototypical examples, comprising elastic properties, phonons, thermal-expansion coefficients, dielectric tensors and loss functions, magneto-optical Kerr effect, core-level spectra and more. PMID:25135665

  4. Accurate all-electron G0W0 quasiparticle energies employing the full-potential augmented plane-wave method

    NASA Astrophysics Data System (ADS)

    Nabok, Dmitrii; Gulans, Andris; Draxl, Claudia

    2016-07-01

    The G W approach of many-body perturbation theory has become a common tool for calculating the electronic structure of materials. However, with increasing number of published results, discrepancies between the values obtained by different methods and codes become more and more apparent. For a test set of small- and wide-gap semiconductors, we demonstrate how to reach the numerically best electronic structure within the framework of the full-potential linearized augmented plane-wave (FLAPW) method. We first evaluate the impact of local orbitals in the Kohn-Sham eigenvalue spectrum of the underlying starting point. The role of the basis-set quality is then further analyzed when calculating the G0W0 quasiparticle energies. Our results, computed with the exciting code, are compared to those obtained using the projector-augmented plane-wave formalism, finding overall good agreement between both methods. We also provide data produced with a typical FLAPW basis set as a benchmark for other G0W0 implementations.

  5. Full Parallel Implementation of an All-Electron Four-Component Dirac-Kohn-Sham Program.

    PubMed

    Rampino, Sergio; Belpassi, Leonardo; Tarantelli, Francesco; Storchi, Loriano

    2014-09-01

    A full distributed-memory implementation of the Dirac-Kohn-Sham (DKS) module of the program BERTHA (Belpassi et al., Phys. Chem. Chem. Phys. 2011, 13, 12368-12394) is presented, where the self-consistent field (SCF) procedure is replicated on all the parallel processes, each process working on subsets of the global matrices. The key feature of the implementation is an efficient procedure for switching between two matrix distribution schemes, one (integral-driven) optimal for the parallel computation of the matrix elements and another (block-cyclic) optimal for the parallel linear algebra operations. This approach, making both CPU-time and memory scalable with the number of processors used, virtually overcomes at once both time and memory barriers associated with DKS calculations. Performance, portability, and numerical stability of the code are illustrated on the basis of test calculations on three gold clusters of increasing size, an organometallic compound, and a perovskite model. The calculations are performed on a Beowulf and a BlueGene/Q system.

  6. Full Parallel Implementation of an All-Electron Four-Component Dirac-Kohn-Sham Program.

    PubMed

    Rampino, Sergio; Belpassi, Leonardo; Tarantelli, Francesco; Storchi, Loriano

    2014-09-01

    A full distributed-memory implementation of the Dirac-Kohn-Sham (DKS) module of the program BERTHA (Belpassi et al., Phys. Chem. Chem. Phys. 2011, 13, 12368-12394) is presented, where the self-consistent field (SCF) procedure is replicated on all the parallel processes, each process working on subsets of the global matrices. The key feature of the implementation is an efficient procedure for switching between two matrix distribution schemes, one (integral-driven) optimal for the parallel computation of the matrix elements and another (block-cyclic) optimal for the parallel linear algebra operations. This approach, making both CPU-time and memory scalable with the number of processors used, virtually overcomes at once both time and memory barriers associated with DKS calculations. Performance, portability, and numerical stability of the code are illustrated on the basis of test calculations on three gold clusters of increasing size, an organometallic compound, and a perovskite model. The calculations are performed on a Beowulf and a BlueGene/Q system. PMID:26588521

  7. Frozen core potential scheme with a relativistic electronic Hamiltonian: Theoretical connection between the model potential and all-electron treatments

    NASA Astrophysics Data System (ADS)

    Seino, Junji; Tarumi, Moto; Nakai, Hiromi

    2014-01-01

    This Letter proposes an accurate scheme using frozen core orbitals, called the frozen core potential (FCP) method, to theoretically connect model potential calculations to all-electron (AE) ones. The present scheme is based on the Huzinaga-Cantu equation combined with spin-free relativistic Douglas-Kroll-Hess Hamiltonians. The local unitary transformation scheme for efficiently constructing the Hamiltonian produces a seamless extension to the FCP method in a relativistic framework. Numerical applications to coinage diatomic molecules illustrate the high accuracy of this FCP method, as compared to AE calculations. Furthermore, the efficiency of the FCP method is also confirmed by these calculations.

  8. Potential energy curves of Li+2 from all-electron EA-EOM-CCSD calculations

    NASA Astrophysics Data System (ADS)

    Musiał, Monika; Medrek, Magdalena; Kucharski, Stanisław A.

    2015-10-01

    The electron attachment (EA) equation-of-motion coupled-cluster theory provides description of the states obtained by the attachment of an electron to the reference system. If the reference is assumed to be a doubly ionised cation, then the EA results relate to the singly ionised ion. In the current work, the above scheme is applied to the calculations of the potential energy curves (PECs) of the Li+2 cation adopting the doubly ionised Li2 +2 structure as the reference system. The advantage of such computational strategy relies on the fact that the closed-shell Li2 +2 reference dissociates into closed-shell fragments (Li2 +2 ⇒ Li+ + Li+), hence the RHF (restricted Hartree-Fock) function can be used as the reference in the whole range of interatomic distances. This scheme offers the first principle method without any model or effective potential parameters for the description of the bond-breaking processes. In this study, the PECs and selected spectroscopic constants for 18 electronic states of the Li+2 ion were computed and compared with experimental and other theoretical results. †In honour of Professor Sourav Pal on the occasion of an anniversary in his private and scientific life.

  9. A divide and conquer real-space approach for all-electron molecular electrostatic potentials and interaction energies.

    PubMed

    Losilla, S A; Sundholm, D

    2012-06-01

    A computational scheme to perform accurate numerical calculations of electrostatic potentials and interaction energies for molecular systems has been developed and implemented. Molecular electron and energy densities are divided into overlapping atom-centered atomic contributions and a three-dimensional molecular remainder. The steep nuclear cusps are included in the atom-centered functions making the three-dimensional remainder smooth enough to be accurately represented with a tractable amount of grid points. The one-dimensional radial functions of the atom-centered contributions as well as the three-dimensional remainder are expanded using finite element functions. The electrostatic potential is calculated by integrating the Coulomb potential for each separate density contribution, using our tensorial finite element method for the three-dimensional remainder. We also provide algorithms to compute accurate electron-electron and electron-nuclear interactions numerically using the proposed partitioning. The methods have been tested on all-electron densities of 18 reasonable large molecules containing elements up to Zn. The accuracy of the calculated Coulomb interaction energies is in the range of 10(-3) to 10(-6) E(h) when using an equidistant grid with a step length of 0.05 a(0).

  10. Full potential multiple scattering theory

    SciTech Connect

    MacLaren, J.M.

    1994-10-20

    A practical method for performing self-consistent electronic structure calculations based upon full-potential multiple-scattering theory is presented. Solutions to the single site Schroedinger equation are obtained by solving coupled channel integral equations for a potential which is analytically continued out to the circumscribing sphere. This potential coincides with the full cell potential inside each atomic cell. Scattering matrices and wavefunctions for the full cell potential are obtained from surface Wronskian relations. The charge density is obtained from the single particle Green`s function. This Green`s function is computed using the cell scattering matrices and wavefunctions using the layer multiple scattering theory. Self consistent solutions require a solution at each iteration to the Poisson equation. The Poisson equation is solved using a variational cellular method. In the approach a local solution to each cell is augmented by adding a series of regular harmonics (solutions to Laplace`s equation). Minimizing the coulomb energy, subject to continuity of the potential across all cell boundary provides an expression for the coefficients of the regular harmonics. This method is applied to BCC Nb. Calculated properties converge well in angular momentum and show comparable accuracy to full potential linearized muffin-tin orbital calculations.

  11. Full potential unsteady computations including aeroelastic effects

    NASA Technical Reports Server (NTRS)

    Shankar, Vijaya; Ide, Hiroshi

    1989-01-01

    A unified formulation is presented based on the full potential framework coupled with an appropriate structural model to compute steady and unsteady flows over rigid and flexible configurations across the Mach number range. The unsteady form of the full potential equation in conservation form is solved using an implicit scheme maintaining time accuracy through internal Newton iterations. A flux biasing procedure based on the unsteady sonic reference conditions is implemented to compute hyperbolic regions with moving sonic and shock surfaces. The wake behind a trailing edge is modeled using a mathematical cut across which the pressure is satisfied to be continuous by solving an appropriate vorticity convection equation. An aeroelastic model based on the generalized modal deflection approach interacts with the nonlinear aerodynamics and includes both static as well as dynamic structural analyses capability. Results are presented for rigid and flexible configurations at different Mach numbers ranging from subsonic to supersonic conditions. The dynamic response of a flexible wing below and above its flutter point is demonstrated.

  12. Two-component relativistic density-functional calculations of the dimers of the halogens from bromine through element 117 using effective core potential and all-electron methods.

    PubMed

    Mitin, Alexander V; van Wüllen, Christoph

    2006-02-14

    A two-component quasirelativistic Hamiltonian based on spin-dependent effective core potentials is used to calculate ionization energies and electron affinities of the heavy halogen atom bromine through the superheavy element 117 (eka-astatine) as well as spectroscopic constants of the homonuclear dimers of these atoms. We describe a two-component Hartree-Fock and density-functional program that treats spin-orbit coupling self-consistently within the orbital optimization procedure. A comparison with results from high-order Douglas-Kroll calculations--for the superheavy systems also with zeroth-order regular approximation and four-component Dirac results--demonstrates the validity of the pseudopotential approximation. The density-functional (but not the Hartree-Fock) results show very satisfactory agreement with theoretical coupled cluster as well as experimental data where available, such that the theoretical results can serve as an estimate for the hitherto unknown properties of astatine, element 117, and their dimers. PMID:16483205

  13. Are the Animal Welfare Acts achieving their full potential?

    PubMed

    2016-07-30

    A decade has passed since the Animal Welfare Act 2006 and the Animal Health and Welfare (Scotland) Act 2006 became law. A session at this year's Animal Welfare Foundation Discussion Forum examined the successes and limitations of the Acts and whether they are working to their full potential. Further discussions centred on the keeping of non-traditional companion animals as pets and whether greater regulation of the pet trade is needed. Laura Honey reports. PMID:27474055

  14. Are the Animal Welfare Acts achieving their full potential?

    PubMed

    2016-07-30

    A decade has passed since the Animal Welfare Act 2006 and the Animal Health and Welfare (Scotland) Act 2006 became law. A session at this year's Animal Welfare Foundation Discussion Forum examined the successes and limitations of the Acts and whether they are working to their full potential. Further discussions centred on the keeping of non-traditional companion animals as pets and whether greater regulation of the pet trade is needed. Laura Honey reports.

  15. A Molecular Full-Potential LMTO Calculation for Copper Clusters

    NASA Astrophysics Data System (ADS)

    Datta, Radhika Prosad; Banerjea, Amitava; Mookerjee, Abhijit; Bhattacharyya, A. K.

    We study the electronic properties of small (10-20 atoms) copper clusters using the newly-developed molecular full-potential linearized muffin-tin orbital two-centre-fit (TCF) method of Methfessel and van Schilfgaarde. The geometric structures of the clusters had earlier been determined by us through simulated annealing using the Equivalent Crystal Theory to compute total energies. We report the variation of the binding energy, as obtained from the TCF calculations, with cluster size and compare these to the binding energies determined, for the same structures, from the ECT. We also show the variation of the HOMO-LUMO gap with cluster size, and the pseudo-density of states for select cluster sizes.

  16. On Approximate Factorization Schemes for Solving the Full Potential Equation

    NASA Technical Reports Server (NTRS)

    Holst, Terry L.

    1997-01-01

    An approximate factorization scheme based on the AF2 algorithm is presented for solving the three-dimensional full potential equation for the transonic flow about isolated wings. Two spatial discretization variations are presented, one using a hybrid first-order/second-order-accurate scheme and the second using a fully second-order-accurate scheme. The present algorithm utilizes a C-H grid topology to map the flow field about the wing. One version of the AF2 iteration scheme is used on the upper wing surface and another slightly modified version is used on the lower surface. These two algorithm variations are then connected at the wing leading edge using a local iteration technique. The resulting scheme has improved linear stability characteristics and improved time-like damping characteristics relative to previous implementations of the AF2 algorithm. The presentation is highlighted with a grid refinement study and a number of numerical results.

  17. A fast, time-accurate unsteady full potential scheme

    NASA Technical Reports Server (NTRS)

    Shankar, V.; Ide, H.; Gorski, J.; Osher, S.

    1985-01-01

    The unsteady form of the full potential equation is solved in conservation form by an implicit method based on approximate factorization. At each time level, internal Newton iterations are performed to achieve time accuracy and computational efficiency. A local time linearization procedure is introduced to provide a good initial guess for the Newton iteration. A novel flux-biasing technique is applied to generate proper forms of the artificial viscosity to treat hyperbolic regions with shocks and sonic lines present. The wake is properly modeled by accounting not only for jumps in phi, but also for jumps in higher derivatives of phi, obtained by imposing the density to be continuous across the wake. The far field is modeled using the Riemann invariants to simulate nonreflecting boundary conditions. The resulting unsteady method performs well which, even at low reduced frequency levels of 0.1 or less, requires fewer than 100 time steps per cycle at transonic Mach numbers. The code is fully vectorized for the CRAY-XMP and the VPS-32 computers.

  18. Wake coupling to full potential rotor analysis code

    NASA Technical Reports Server (NTRS)

    Torres, Francisco J.; Chang, I-Chung; Oh, Byung K.

    1990-01-01

    The wake information from a helicopter forward flight code is coupled with two transonic potential rotor codes. The induced velocities for the near-, mid-, and far-wake geometries are extracted from a nonlinear rigid wake of a standard performance and analysis code. These, together with the corresponding inflow angles, computation points, and azimuth angles, are then incorporated into the transonic potential codes. The coupled codes can then provide an improved prediction of rotor blade loading at transonic speeds.

  19. Full-potential modeling of blade-vortex interactions

    NASA Technical Reports Server (NTRS)

    Jones, H. E.; Caradonna, F. X.

    1986-01-01

    A comparison is made of four different models for predicting the unsteady loading induced by a vortex passing close to an airfoil. (1) The first model approximates the vortex effect as a change in the airfoil angle of attack. (2) The second model is related to the first but, instead of imposing only a constant velocity on the airfoil, the distributed effect of the vortex is computed and used. This is analogous to a lifting surface method. (3) The third model is to specify a branch cut discontinuity in the potential field. The vortex is modeled as a jump in potential across the branch cut, the edge of which represents the center of the vortex. (4) The fourth method models the vortex expressing the potential as the sum of a known potential due to the vortex and an unknown perturbation due to the airfoil. The purpose of the current study is to investigate the four vortex models described above and to determine their relative merits and suitability for use in large three-dimensional codes.

  20. Syngeneic AAV pseudo-vectors potentiates full vector transduction

    Technology Transfer Automated Retrieval System (TEKTRAN)

    An excessive amount of empty capsids are generated during regular AAV vector production process. These pseudo-vectors often remain in final vectors used for animal studies or clinical trials. The potential effects of these pseudo-vectors on AAV transduction have been a major concern. In the current ...

  1. Examining the Full Potential of the Extended School

    ERIC Educational Resources Information Center

    Orchard, Linda

    2007-01-01

    This paper describes a project aimed at helping children and their families achieve their potential. It is based in an area of high social disadvantage. The authors explain how parenting classes held at a community college (a comprehensive school with provision for adult education), have led to the development of a suite of courses leading to…

  2. Calculation of all-electron wavefunction of hemoprotein cytochrome c by density functional theory

    NASA Astrophysics Data System (ADS)

    Sato, Fumitoshi; Yoshihiro, Tamotsu; Era, Makoto; Kashiwagi, Hiroshi

    2001-06-01

    An all-electron wavefunction of horse heart d 6-low-spin ferrocytochrome c (ferrocyt. c) was calculated by our Gaussian-based density functional theory (DFT) molecular orbital (MO) program, ProteinDF with a workstation cluster. It may be the first full-scale DFT calculation of a metalloprotein, and the numbers of orbitals and auxiliary functions are 9600 and 17 578, respectively. We show that the highest occupied MO (HOMO) derives from 3d orbitals of heme Fe and is unexpectedly delocalized while preserving the essential atomic character, which will give room for consideration of the electron transfer processes between proteins. The potential of MO calculations on larger proteins is also discussed with the computational data of cytochrome c (cyt. c).

  3. Label-free all-electronic biosensing in microfluidic systems

    NASA Astrophysics Data System (ADS)

    Stanton, Michael A.

    Label-free, all-electronic detection techniques offer great promise for advancements in medical and biological analysis. Electrical sensing can be used to measure both interfacial and bulk impedance changes in conducting solutions. Electronic sensors produced using standard microfabrication processes are easily integrated into microfluidic systems. Combined with the sensitivity of radiofrequency electrical measurements, this approach offers significant advantages over competing biological sensing methods. Scalable fabrication methods also provide a means of bypassing the prohibitive costs and infrastructure associated with current technologies. We describe the design, development and use of a radiofrequency reflectometer integrated into a microfluidic system towards the specific detection of biologically relevant materials. We developed a detection protocol based on impedimetric changes caused by the binding of antibody/antigen pairs to the sensing region. Here we report the surface chemistry that forms the necessary capture mechanism. Gold-thiol binding was utilized to create an ordered alkane monolayer on the sensor surface. Exposed functional groups target the N-terminus, affixing a protein to the monolayer. The general applicability of this method lends itself to a wide variety of proteins. To demonstrate specificity, commercially available mouse anti- Streptococcus Pneumoniae monoclonal antibody was used to target the full-length recombinant pneumococcal surface protein A, type 2 strain D39 expressed by Streptococcus Pneumoniae. We demonstrate the RF response of the sensor to both the presence of the surface decoration and bound SPn cells in a 1x phosphate buffered saline solution. The combined microfluidic sensor represents a powerful platform for the analysis and detection of cells and biomolecules.

  4. Rapid Bacterial Detection via an All-Electronic CMOS Biosensor

    PubMed Central

    Nikkhoo, Nasim; Cumby, Nichole; Gulak, P. Glenn; Maxwell, Karen L.

    2016-01-01

    The timely and accurate diagnosis of infectious diseases is one of the greatest challenges currently facing modern medicine. The development of innovative techniques for the rapid and accurate identification of bacterial pathogens in point-of-care facilities using low-cost, portable instruments is essential. We have developed a novel all-electronic biosensor that is able to identify bacteria in less than ten minutes. This technology exploits bacteriocins, protein toxins naturally produced by bacteria, as the selective biological detection element. The bacteriocins are integrated with an array of potassium-selective sensors in Complementary Metal Oxide Semiconductor technology to provide an inexpensive bacterial biosensor. An electronic platform connects the CMOS sensor to a computer for processing and real-time visualization. We have used this technology to successfully identify both Gram-positive and Gram-negative bacteria commonly found in human infections. PMID:27618185

  5. Broadband all-electronically tunable MEMS terahertz quantum cascade lasers.

    PubMed

    Han, Ningren; de Geofroy, Alexander; Burghoff, David P; Chan, Chun Wang I; Lee, Alan Wei Min; Reno, John L; Hu, Qing

    2014-06-15

    In this work, we demonstrate all-electronically tunable terahertz quantum cascade lasers (THz QCLs) with MEMS tuner structures. A two-stage MEMS tuner device is fabricated by a commercial open-foundry process performed by the company MEMSCAP. This provides an inexpensive, rapid, and reliable approach for MEMS tuner fabrication for THz QCLs with a high-precision alignment scheme. In order to electronically actuate the MEMS tuner device, an open-loop cryogenic piezo nanopositioning stage is integrated with the device chip. Our experimental result shows that at least 240 GHz of single-mode continuous electronic tuning can be achieved in cryogenic environments (∼4  K) without mode hopping. This provides an important step toward realizing turn-key bench-top tunable THz coherent sources for spectroscopic and coherent tomography applications.

  6. Rapid Bacterial Detection via an All-Electronic CMOS Biosensor.

    PubMed

    Nikkhoo, Nasim; Cumby, Nichole; Gulak, P Glenn; Maxwell, Karen L

    2016-01-01

    The timely and accurate diagnosis of infectious diseases is one of the greatest challenges currently facing modern medicine. The development of innovative techniques for the rapid and accurate identification of bacterial pathogens in point-of-care facilities using low-cost, portable instruments is essential. We have developed a novel all-electronic biosensor that is able to identify bacteria in less than ten minutes. This technology exploits bacteriocins, protein toxins naturally produced by bacteria, as the selective biological detection element. The bacteriocins are integrated with an array of potassium-selective sensors in Complementary Metal Oxide Semiconductor technology to provide an inexpensive bacterial biosensor. An electronic platform connects the CMOS sensor to a computer for processing and real-time visualization. We have used this technology to successfully identify both Gram-positive and Gram-negative bacteria commonly found in human infections. PMID:27618185

  7. Comparison of the full potential and Euler formulations for computing transonic airfoil flows

    NASA Technical Reports Server (NTRS)

    Flores, J.; Barton, J.; Holst, T. L.; Pulliam, T.

    1984-01-01

    A quantitative comparison between the Euler and full potential formulations with respect to speed and accuracy is presented. The robustness of the codes used is tested by a number of transonic airfoil cases. The computed results are from four transonic airfoil computer codes. The full potential codes use fully implicit iteration algorithms. The first Euler code uses a fully implicit ADI iteration scheme. The second Euler code uses an explicit Runge Kutta time stepping algorithm which is enhanced by a multigrid convergence acceleration scheme. Quantitative comparisons are made using various plots of lift coefficient versus the average mesh spacing along the airfoil. Besides yielding an asymptotic limit to the lift coefficient, these results also demonstrate the truncation error behavior of the various codes. Quantitative conclusions regarding the full potential and Euler formulations with respect to accuracy, speed, and robustness can be presented.

  8. Numerical computation of transonic flow governed by the full-potential equation

    NASA Technical Reports Server (NTRS)

    Holst, T. L.

    1983-01-01

    Numerical solution techniques for solving transonic flow fields governed by the full potential equation are discussed. In a general sense relaxation schemes suitable for the numerical solution of elliptic partial differential equations are presented and discussed with emphasis on transonic flow applications. The presentation can be divided into two general categories: An introductory treatment of the basic concepts associated with the numerical solution of elliptic partial differential equations and a more advanced treatment of current procedures used to solve the full potential equation for transonic flow fields. The introductory material is presented for completeness and includes a brief introduction (Chapter 1), governing equations (Chapter 2), classical relaxation schemes (Chapter 3), and early concepts regarding transonic full potential equation algorithms (Chapter 4).

  9. Full wave characterization of microstrip open end discontinuities patterned on anisotropic substrates using potential theory

    NASA Technical Reports Server (NTRS)

    Toncich, S. S.; Collin, R. E.; Bhasin, K. B.

    1993-01-01

    A technique for a full wave characterization of microstrip open end discontinuities fabricated on uniaxial anisotropic substrates using potential theory is presented. The substrate to be analyzed is enclosed in a cutoff waveguide, with the anisotropic axis aligned perpendicular to the air-dielectric interface. A full description of the sources on the microstrip line is included with edge conditions built in. Extention to other discontinuities is discussed.

  10. West Virginia Full-Scale Solar Energy Team Growing the Mountain State Energy Economy by Reaching our Full Solar Potential

    SciTech Connect

    Inc., Geostellar,

    2012-02-15

    The WV Team will design and demonstrate a complete set of systems and processes for automating the identification of residential and light commercial solar opportunities, evaluating project finance options, securing permits and arranging for interconnections to the utility grid. These operations will be supported by the predictive qualification and feasibility of residential and light commercial solar energy opportunities in WV based on the current solar LCOE and potential state-wide policy initiatives. Through the WV Department of Commerce and its Division of Energy, the WV Team will coordinate with all 55 county development authorities in West Virginia, as well as a number of local and municipal authorities responsible for zoning and building code ordinances to support and implement a statewide, integrated set of regulations and administrative services. Additionally the WV Team will work with the State administration and legislature to develop incentives that will promote the financing of residential and light commercial solar projects.

  11. A new consistent spatial differencing scheme for the transonic full-potential equation

    NASA Technical Reports Server (NTRS)

    Flores, J.; Holst, T. L.; Kwak, D.; Batiste, D. M.

    1983-01-01

    A new spatial differencing scheme for the transonic full-potential equation in conservative form has been developed. This scheme guarantees zero truncation error on any curvilinear mesh for freestream flows in either two- or three-space dimensions. Solutions obtained with this new differencing scheme, away from freestream regions, exhibit greatly improved accuracy, especially for nonsmooth or singular meshes.

  12. How to Help Children with Learning Differences Reach Their Full Potential

    ERIC Educational Resources Information Center

    Lavoie, Theresa

    2008-01-01

    This article is the third part of a 10-part series that explores Attention Deficit Hyperactivity Disorder (ADHD). It offers and discusses tips on how to help children with learning differences reach their full potential. These include: (1) start with good nutrition; (2) be sure your child is exercising; (3) make sure your child is getting enough…

  13. Numerical solution of the full potential equation using a chimera grid approach

    NASA Technical Reports Server (NTRS)

    Holst, Terry L.

    1995-01-01

    A numerical scheme utilizing a chimera zonal grid approach for solving the full potential equation in two spatial dimensions is described. Within each grid zone a fully-implicit approximate factorization scheme is used to advance the solution one interaction. This is followed by the explicit advance of all common zonal grid boundaries using a bilinear interpolation of the velocity potential. The presentation is highlighted with numerical results simulating the flow about a two-dimensional, nonlifting, circular cylinder. For this problem, the flow domain is divided into two parts: an inner portion covered by a polar grid and an outer portion covered by a Cartesian grid. Both incompressible and compressible (transonic) flow solutions are included. Comparisons made with an analytic solution as well as single grid results indicate that the chimera zonal grid approach is a viable technique for solving the full potential equation.

  14. Relaxation and approximate factorization methods for the unsteady full potential equation

    NASA Technical Reports Server (NTRS)

    Shankar, V.; Ide, H.; Gorski, J.

    1984-01-01

    The unsteady form of the full potential equation is solved in conservation form, using implicit methods based on approximate factorization and relaxation schemes. A local time linearization for density is introduced to enable solution to the equation in terms of phi, the velocity potential. A novel flux-biasing technique is applied to generate proper forms of the artificial viscosity, to treat hyperbolic regions with shocks and sonic lines present. The wake is properly modeled by accounting not only for jumps in phi, but also for jumps in higher derivatives of phi obtained from requirements of density continuity. The far field is modeled using the Riemann invariants to simulate nonreflecting boundary conditions. Results are presented for flows over airfoils, cylinders, and spheres. Comparisons are made with available Euler and full potential results.

  15. A full-potential approach to the relativistic single-site Green’s function

    NASA Astrophysics Data System (ADS)

    Liu, Xianglin; Wang, Yang; Eisenbach, Markus; Stocks, G. Malcolm

    2016-09-01

    One major purpose of studying the single-site scattering problem is to obtain the scattering matrices and differential equation solutions indispensable to multiple scattering theory (MST) calculations. On the other hand, the single-site scattering itself is also appealing because it reveals the physical environment experienced by electrons around the scattering center. In this paper we demonstrate a new formalism to calculate the relativistic full-potential single-site Green’s function. We implement this method to calculate the single-site density of states and electron charge densities. The code is rigorously tested and with the help of Krein’s theorem, the relativistic effects and full potential effects in group V elements and noble metals are thoroughly investigated.

  16. Full potential methods for analysis/design of complex aerospace configurations

    NASA Technical Reports Server (NTRS)

    Shankar, Vijaya; Szema, Kuo-Yen; Bonner, Ellwood

    1986-01-01

    The steady form of the full potential equation, in conservative form, is employed to analyze and design a wide variety of complex aerodynamic shapes. The nonlinear method is based on the theory of characteristic signal propagation coupled with novel flux biasing concepts and body-fitted mapping procedures. The resulting codes are vectorized for the CRAY XMP and the VPS-32 supercomputers. Use of the full potential nonlinear theory is demonstrated for a single-point supersonic wing design and a multipoint design for transonic maneuver/supersonic cruise/maneuver conditions. Achievement of high aerodynamic efficiency through numerical design is verified by wind tunnel tests. Other studies reported include analyses of a canard/wing/nacelle fighter geometry.

  17. A full-potential approach to the relativistic single-site Green's function.

    PubMed

    Liu, Xianglin; Wang, Yang; Eisenbach, Markus; Malcolm Stocks, G

    2016-09-01

    One major purpose of studying the single-site scattering problem is to obtain the scattering matrices and differential equation solutions indispensable to multiple scattering theory (MST) calculations. On the other hand, the single-site scattering itself is also appealing because it reveals the physical environment experienced by electrons around the scattering center. In this paper we demonstrate a new formalism to calculate the relativistic full-potential single-site Green's function. We implement this method to calculate the single-site density of states and electron charge densities. The code is rigorously tested and with the help of Krein's theorem, the relativistic effects and full potential effects in group V elements and noble metals are thoroughly investigated. PMID:27388858

  18. A conservative implicit finite difference algorithm for the unsteady transonic full potential equation

    NASA Technical Reports Server (NTRS)

    Steger, J. L.; Caradonna, F. X.

    1980-01-01

    An implicit finite difference procedure is developed to solve the unsteady full potential equation in conservation law form. Computational efficiency is maintained by use of approximate factorization techniques. The numerical algorithm is first order in time and second order in space. A circulation model and difference equations are developed for lifting airfoils in unsteady flow; however, thin airfoil body boundary conditions have been used with stretching functions to simplify the development of the numerical algorithm.

  19. Application of a Chimera Full Potential Algorithm for Solving Aerodynamic Problems

    NASA Technical Reports Server (NTRS)

    Holst, Terry L.; Kwak, Dochan (Technical Monitor)

    1997-01-01

    A numerical scheme utilizing a chimera zonal grid approach for solving the three dimensional full potential equation is described. Special emphasis is placed on describing the spatial differencing algorithm around the chimera interface. Results from two spatial discretization variations are presented; one using a hybrid first-order/second-order-accurate scheme and the second using a fully second-order-accurate scheme. The presentation is highlighted with a number of transonic wing flow field computations.

  20. Evaluation of truncation error and adaptive grid generation for the transonic full potential flow calculations

    NASA Technical Reports Server (NTRS)

    Nakamura, S.

    1983-01-01

    The effects of truncation error on the numerical solution of transonic flows using the full potential equation are studied. The effects of adapting grid point distributions to various solution aspects including shock waves is also discussed. A conclusion is that a rapid change of grid spacing is damaging to the accuracy of the flow solution. Therefore, in a solution adaptive grid application an optimal grid is obtained as a tradeoff between the amount of grid refinement and the rate of grid stretching.

  1. Fully Relativistic Full-Potential Calculations of Magnetic Moments in Uranium Monochalcogenides with the Dirac Current

    NASA Astrophysics Data System (ADS)

    Shugo Suzuki,; Hidehisa Ohta,

    2010-07-01

    We study the orbital, spin, and total magnetic moments in uranium monochalcogenides, UX where X=S, Se, and Te, using the fully relativistic full-potential calculations based on the spin density functional theory. In particular, the orbital magnetic moments are calculated with the Dirac current. We employ two methods which adopt distinctly different basis sets; one is the fully relativistic full-potential linear-combination-of-atomic-orbitals (FFLCAO) method and the other is the fully relativistic full-potential mixed-basis (FFMB) method. Showing that the orbital magnetic moments calculated using the FFLCAO method and those calculated using the FFMB method agree very well with each other, we demonstrate that, in contrast to the conventional method, the method with the Dirac current enables us to calculate the orbital magnetic moments even if the basis set includes basis functions with no definite angular momenta, e.g., the plane waves in the FFMB method. Furthermore, it is found that the orbital magnetic moments obtained in this work are larger by nearly 0.4 μB than those obtained using the conventional method. This is crucial because the resultant differences in the total magnetic moments are about 30%. We compare the results of this work with those of previous theoretical and experimental studies.

  2. Transonic solutions for a multielement airfoil using the full-potential equation

    NASA Technical Reports Server (NTRS)

    Flores, J.; Holst, T. L.; Sorenson, R. L.

    1984-01-01

    Transonic flow solutions are obtained over a multielement airfoil (augmentor-wing) using the full-potential equation. Solutions obtained for a subcritical case and a strong shock case show good quantitative agreement with experiment in regions not dominated by viscous effects. In those regions where viscous effects are dominant, the results are still in good qualitative agreement. For the strong shock case, Mach number and angle-of-attack corrections were necessary to match experimental coefficient of lift. Typical results from the transonic augmentor-wing Potential Code on the Cray-1S computer require about 10 sec of CPU time for a three-order-of-magnitude drop in the maximum residual. The speed with which solutions can be generated, and the associated low cost, will make this code a practical tool for the design aerodynamicist.

  3. Three-dimensional local structure refinement using a full-potential XANES analysis

    SciTech Connect

    Smolentsev, G.; Soldatov, A. V.; Feiters, M. C.

    2007-04-01

    A technique of three-dimensional (3D) local structure refinement is proposed and demonstrated by applying it to the metal complex Ni(acacR){sub 2}. The method is based on the fitting of experimental x-ray absorption near-edge structure (XANES) using a multidimensional interpolation of spectra and full potential calculations of XANES. The low number of calculations required is the main advantage of the method, which allows a computationally time-expensive method using a non-muffin-tin potential to be applied. The possibility to determine bond angles in addition to bond lengths accessible to extended x-ray-absorption fine structure opens new perspectives of XANES as a 3D structure probe.

  4. A full-potential approach to the relativistic single-site Green's function

    DOE PAGES

    Liu, Xianglin; Wang, Yang; Eisenbach, Markus; Stocks, George Malcolm

    2016-07-07

    One major purpose of studying the single-site scattering problem is to obtain the scattering matrices and differential equation solutions indispensable to multiple scattering theory (MST) calculations. On the other hand, the single-site scattering itself is also appealing because it reveals the physical environment experienced by electrons around the scattering center. In this study, we demonstrate a new formalism to calculate the relativistic full-potential single-site Green's function. We implement this method to calculate the single-site density of states and electron charge densities. Lastly, the code is rigorously tested and with the help of Krein's theorem, the relativistic effects and full potentialmore » effects in group V elements and noble metals are thoroughly investigated.« less

  5. A hybrid Navier-Stokes/full-potential method for the prediction of iced wing aerodynamics

    NASA Technical Reports Server (NTRS)

    Mello, O. A. F.; Sankar, L. N.

    1994-01-01

    A hybrid method for computing compressible viscous flows is presented. This method divides the computational domain into two zones. In the outer zone, the unsteady full-potential equation (FPE) is solved. In the inner zone, the Navier-Stokes equations are solved. The two zones are tightly coupled so that steady and unsteady flows may be efficiently solved. The resulting CPU times are less than 50 percent of the required for a full-blown Navier-Stokes analysis. Sample applications of the method to an unswept iced wing at 4 deg and 8 deg angle of attack are presented. Surface pressures are in good agreement with the measurements obtained by Bragg et al. at the University of Illinois.

  6. Electronic and magnetic properties of Cr doped graphene; Full potential approach

    SciTech Connect

    Thakur, Jyoti Kashyap, Manish K.; Saini, Hardev S.

    2015-08-28

    The electronic and magnetic properties of pristine and Cr doped graphene have been calculated using WIEN2k implementation of full potential linearized augmented plane wave (FPLAPW) method based on Density Functional Theory (DFT). The exchange and correlation (XC) effects were taken into account by generalized gradient approximation (GGA). The calculated results show that Cr doping introduces appropriate magnetic moment on graphene. The p-d interaction between 3d states of Cr atom and p-states of C atom are responsible for half metallicity in graphene. The calculated Half-metallic behavior of Cr-doped graphene makes it an ideal candidate for spintronic applications.

  7. Full potential solution of transonic quasi-3-D flow through a cascade using artificial compressability

    NASA Technical Reports Server (NTRS)

    Farrell, C.; Adamczyk, J.

    1981-01-01

    The three-dimensional flow in a turbomachinery blade row was approximated by correcting for streamtube convergence and radius change in the throughflow direction. The method is a fully conservative solution of the full potential equation incorporating the finite volume technique on body fitted periodic mesh, with an artificial density imposed in the transonic region to insure stability and the capture of shock waves. Comparison of results for several supercritical blades shows good agreement with their hodograph solutions. Other calculations for these profiles as well as standard NACA blade sections indicate that this is a useful scheme analyzing both the design and off-design performance of turbomachinery blading.

  8. Relativistic Green's Functions in Full-Potential Multiple-Scattering Theory

    NASA Astrophysics Data System (ADS)

    Liu, Xianglin; Wang, Yang; Eisenbach, Markus; Stocks, G. Malcolm

    The Green's functions play a central role in MST based KKR method. Obtaining the Green's functions by solving the Dirac equation is appealing since it naturally incorporated the electron spin and the spin-orbit coupling effects. Here we implemented the full-potential relativistic KKR method using a technique called the sine and cosine matrices formalism. The charge density and the density of states of some pure element crystals have been calculated. Different expressions of the Green's functions have been investigated for numerical benefits.

  9. Potential of an analog scaling device for measuring fullness in children: development and preliminary testing.

    PubMed

    Keller, Kathleen L; Assur, Shaziya A; Torres, Mindy; Lofink, Hayley E; Thornton, John C; Faith, Myles S; Kissileff, Harry R

    2006-09-01

    Improving children's abilities to recognize when they are full is one strategy to prevent overweight, but currently, there are few validated instruments to assist this process. In the present study, we developed and tested the potential of an analog scaling device for quantifying sensations such as fullness in 4-5 year old children. The device was a picture of a doll with a rectangular stomach over which a sliding bar could be moved to communicate rated fullness levels. Eleven 4-5 year old children were shown pictures of French fries and fruit salad in five varying portion sizes that increased in diameter exponentially by a power of 1.5, ranging from 5.2 to 18.5 cm. Success in using the device was predefined as an increase in ratings as a function of increasing portion size, in at least one of two trials. Eight children were successful with the fries, and ten were successful with the fruit salad. Mean ratings across children were significantly different from each other for both foods. These data show that children can be trained to use an analog scale to quantify differences in portion sizes of foods. Future experiments will validate this scaling procedure for measuring fullness in real eating situations. If successful, this methodology might have applications to the measurement of other bodily sensations in young children.

  10. Stellar coronal abundances. 3: The solar first ionization potential effect determined from full-disk observation

    NASA Technical Reports Server (NTRS)

    Laming, J. Martin; Drake, J. J.; Widing, Kenneth G.

    1995-01-01

    In this paper we reanalayze the full-disk quiet-sun spectrum of Mallinovsky & Heroux (1973) with modern atomic data. The purposes of this are to check our atomic data and methods in other investigations using data from nearby stars obtained with the NASA Extreme Ultraviolet Explorer (EUVE) satellite, and to confirm that the solar first ionization potential (FIP) effect investigated by previous authors studying discrete solar regions is the same as that found in full-disk spectra. We recover the usual solar FIP effect of a coronal abundance enhancement of elements with a low FIP of a factor approximately 3-4 for lines formed at temperatures greater than approximately 10(exp 6) K. For lower temperatures, the FIP effect seems to be substantially smaller, in qualitative agreement with other data. Comparing our full-disk result with those from discrete solar structures suggest that the FIP effect is a function of altitude, with the lower temperature full-disk emission being dominated by the super-granulation network. We also compare the recent ionization balance of Arnaud & Raymond (1992) with that of Arnaud & Rothenflug (1985).

  11. Isolation and full characterisation of a potentially allergenic lipid transfer protein (LTP) in almond.

    PubMed

    Buhler, Sofie; Tedeschi, Tullia; Faccini, Andrea; Garino, Cristiano; Arlorio, Marco; Dossena, Arnaldo; Sforza, Stefano

    2015-01-01

    Non-specific lipid transfer proteins (nsLTP) were shown to be among the most significant allergens, in particular in several fruits belonging to the Rosaceae family. The molecular features of LTPs, such as the presence of eight cysteine residues forming four disulfide bridges, confer a compact structure, decreasing the probability of degradation due to cooking or digestion, thereby increasing the chance of systemic absorption and severe allergic reactions. Few studies on LTP-induced allergies regarding almond (Prunus dulcis L) are available in the literature. In the present work, we describe for the first time the extraction and purification of an almond LTP, achieving its full characterisation by using liquid chromatography and exact mass spectrometry; the full sequence was identified by means of LC-ESI-Orbitrap-MS applying a bottom-up approach. The characterised protein consists of 92 amino acids and has a calculated exact MW of 9579.0. The presence of four disulfide bridges was confirmed after reduction, as shown by a mass increment of 8 Da. Finally, its potential allergenicity was confirmed via an in silico approach. The results presented here demonstrate the enormous potential of advanced MS techniques for obtaining high-quality structural and functional data of allergenic proteins in a short time.

  12. Pick-off annihilation of positronium in matter using full correlation single particle potentials: solid He.

    PubMed

    Zubiaga, A; Tuomisto, F; Puska, M J

    2015-01-29

    We investigate the modeling of positronium (Ps) states and their pick-off annihilation trapped at open volumes pockets in condensed molecular matter. Our starting point is the interacting many-body system of Ps and a He atom because it is the smallest entity that can mimic the energy gap between the highest occupied and lowest unoccupied molecular orbitals of molecules, and yet the many-body structure of the HePs system can be calculated accurately enough. The exact-diagonalization solution of the HePs system enables us to construct a pairwise full-correlation single-particle potential for the Ps-He interaction, and the total potential in solids is obtained as a superposition of the pairwise potentials. We study in detail Ps states and their pick-off annihilation rates in voids inside solid He and analyze experimental results for Ps-induced voids in liquid He obtaining the radii of the voids. More importantly, we generalize our conclusions by testing the validity of the Tao-Eldrup model, widely used to analyze ortho-Ps annihilation measurements for voids in molecular matter, against our theoretical results for the solid He. Moreover, we discuss the influence of the partial charges of polar molecules and the strength of the van der Waals interaction on the pick-off annihilation rate. PMID:25523231

  13. Numerical calculation of steady inviscid full potential compressible flow about wind turbine blades

    NASA Technical Reports Server (NTRS)

    Dulikravich, D. S.

    1980-01-01

    The air flow through a propeller-type wind turbine rotor is characterized by three-dimensional rotating cascade effects about the inner portions of the rotor blades and compressibility effects about the tip regions of the blades. In the case of large rotor diameter and/or increased rotor angular speed, the existence of small supersonic zones terminated by weak shocks is possible. An exact nonlinear mathematical model (called a steady Full Potential Equation - FPE) that accounts for the above phenomena has been rederived. An artificially time dependent version of FPE was iteratively solved by a finite volume technique involving an artificial viscosity and a three-level consecutive mesh refinement. The exact boundary conditions were applied by generating a boundary conforming periodic computation mesh.

  14. Newton-Krylov-Schwarz algorithms for the 2D full potential equation

    SciTech Connect

    Cai, Xiao-Chuan; Gropp, W.D.; Keyes, D.E.

    1996-12-31

    We study parallel two-level overlapping Schwarz algorithms for solving nonlinear finite element problems, in particular, for the full potential equation of aerodynamics discretized in two dimensions with bilinear elements. The main algorithm, Newton-Krylov-Schwarz (NKS), employs an inexact finite-difference Newton method and a Krylov space iterative method, with a two-level overlapping Schwarz method as a preconditioner. We demonstrate that NKS, combined with a density upwinding continuation strategy for problems with weak shocks, can be made robust for this class of mixed elliptic-hyperbolic nonlinear partial differential equations, with proper specification of several parameters. We study upwinding parameters, inner convergence tolerance, coarse grid density, subdomain overlap, and the level of fill-in in the incomplete factorization, and report favorable choices for numerical convergence rate and overall execution time on a distributed-memory parallel computer.

  15. A full nine-dimensional potential-energy surface for hydrogen molecule-water collisions.

    PubMed

    Faure, Alexandre; Valiron, Pierre; Wernli, Michael; Wiesenfeld, Laurent; Rist, Claire; Noga, Josef; Tennyson, Jonathan

    2005-06-01

    The hydrogen and water molecules are ubiquitous in the Universe. Their mutual collisions drive water masers and other line emission in various astronomical environments, notably molecular clouds and star-forming regions. We report here a full nine-dimensional interaction potential for H2O-H2 calibrated using high-accuracy, explicitly correlated wave functions. All degrees of freedom are included using a systematic procedure transferable to other small molecules of astrophysical or atmospherical relevance. As a first application, we present rate constants for the vibrational relaxation of the upsilon2 bending mode of H2O obtained from quasiclassical trajectory calculations in the temperature range of 500-4000 K. Our high-temperature (T > or = 1500 K) results are found compatible with the single experimental value at 295 K. Our rates are also significantly larger than those currently used in the astrophysical literature and will lead to a thorough reinterpretation of vibrationally excited water emission spectra from space.

  16. Parallel Newton-Krylov-Schwarz algorithms for the transonic full potential equation

    NASA Technical Reports Server (NTRS)

    Cai, Xiao-Chuan; Gropp, William D.; Keyes, David E.; Melvin, Robin G.; Young, David P.

    1996-01-01

    We study parallel two-level overlapping Schwarz algorithms for solving nonlinear finite element problems, in particular, for the full potential equation of aerodynamics discretized in two dimensions with bilinear elements. The overall algorithm, Newton-Krylov-Schwarz (NKS), employs an inexact finite-difference Newton method and a Krylov space iterative method, with a two-level overlapping Schwarz method as a preconditioner. We demonstrate that NKS, combined with a density upwinding continuation strategy for problems with weak shocks, is robust and, economical for this class of mixed elliptic-hyperbolic nonlinear partial differential equations, with proper specification of several parameters. We study upwinding parameters, inner convergence tolerance, coarse grid density, subdomain overlap, and the level of fill-in in the incomplete factorization, and report their effect on numerical convergence rate, overall execution time, and parallel efficiency on a distributed-memory parallel computer.

  17. Full potential solution of a transonic quasi-3-D flow through a cascade using artificial compressibility

    NASA Technical Reports Server (NTRS)

    Farrell, C.; Adamczyk, J.

    1981-01-01

    A reliable method is presented for calculating the flowfield about a cascade of arbitrary 2-D airfoils. The method approximates the three-dimensional flow in a turbomachinery blade row by correcting for streamtube convergence and radius change in the throughflow direction. The method is a fully conservative solution of the full potential equation incorporating the finite volume technique on a body-fitted periodic mesh, with an artificial density imposed in the transonic region to ensure stability and the capture of shock waves. Comparison of results for several supercritical blades shows good agreement with their hodograph solutions. Other calculations for these profiles as well as standard NACA blade sections indicate that this is a useful scheme for analyzing both the design and off-design performance of turbomachinery blading.

  18. Electronic and magnetic properties of Mo doped graphene; full potential approach

    SciTech Connect

    Thakur, Jyoti Kashyap, Manish K.; Singh, Mukhtiyar; Saini, Hardev S.

    2015-05-15

    The electronic and magnetic properties of Pristine and Mo doped Graphene have been calculated using WIEN2k implementation of full potential linearized augmented plane wave (FPLAPW) method based on Density Functional Theory (DFT). The exchange and correlation (XC) effects were taken into account by generalized gradient approximation (GGA). The calculated results show that Mo doping creates magnetism in Graphene by shifting the energy levels at E{sub F} and opens up a channel for Graphene to be used in real nanoscale device applications. The unpaired d-electrons of Mo atom are responsible for induced magnetism in Graphene. Magnetic ordering created in Graphene in this way makes it suitable for recording media, magnetic sensors, magnetic inks and spintronic devices.

  19. Transonic flow analysis for rotors. Part 2: Three-dimensional, unsteady, full-potential calculation

    NASA Technical Reports Server (NTRS)

    Chang, I. C.

    1985-01-01

    A numerical method is presented for calculating the three-dimensional unsteady, transonic flow past a helicopter rotor blade of arbitrary geometry. The method solves the full-potential equations in a blade-fixed frame of reference by a time-marching implicit scheme. At the far-field, a set of first-order radiation conditions is imposed, thus minimizing the reflection of outgoing wavelets from computational boundaries. Computed results are presented to highlight radial flow effects in three dimensions, to compare surface pressure distributions to quasi-steady predictions, and to predict the flow field on a swept-tip blade. The results agree well with experimental data for both straight- and swept-tip blade geometries.

  20. Source Parameters from Full Moment Tensor Inversions of Potentially Induced Earthquakes in Western Canada

    NASA Astrophysics Data System (ADS)

    Wang, R.; Gu, Y. J.; Schultz, R.; Kim, A.; Chen, Y.

    2015-12-01

    During the past four years, the number of earthquakes with magnitudes greater than three has substantially increased in the southern section of Western Canada Sedimentary Basin (WCSB). While some of these events are likely associated with tectonic forces, especially along the foothills of the Canadian Rockies, a significant fraction occurred in previously quiescent regions and has been linked to waste water disposal or hydraulic fracturing. A proper assessment of the origin and source properties of these 'induced earthquakes' requires careful analyses and modeling of regional broadband data, which steadily improved during the past 8 years due to recent establishments of regional broadband seismic networks such as CRANE, RAVEN and TD. Several earthquakes, especially those close to fracking activities (e.g. Fox creek town, Alberta) are analyzed. Our preliminary full moment tensor inversion results show maximum horizontal compressional orientations (P-axis) along the northeast-southwest orientation, which agree with the regional stress directions from borehole breakout data and the P-axis of historical events. The decomposition of those moment tensors shows evidence of strike-slip mechanism with near vertical fault plane solutions, which are comparable to the focal mechanisms of injection induced earthquakes in Oklahoma. Minimal isotropic components have been observed, while a modest percentage of compensated-linear-vector-dipole (CLVD) components, which have been linked to fluid migraition, may be required to match the waveforms. To further evaluate the non-double-couple components, we compare the outcomes of full, deviatoric and pure double couple (DC) inversions using multiple frequency ranges and phases. Improved location and depth information from a novel grid search greatly assists the identification and classification of earthquakes in potential connection with fluid injection or extraction. Overall, a systematic comparison of the source attributes of

  1. Full-dimensional (15-dimensional) ab initio analytical potential energy surface for the H7+ cluster

    NASA Astrophysics Data System (ADS)

    Barragán, Patricia; Prosmiti, Rita; Wang, Yimin; Bowman, Joel M.

    2012-06-01

    Full-dimensional ab initio potential energy surface is constructed for the H_7^+ cluster. The surface is a fit to roughly 160 000 interaction energies obtained with second-order MöllerPlesset perturbation theory and the cc-pVQZ basis set, using the invariant polynomial method [B. J. Braams and J. M. Bowman, Int. Rev. Phys. Chem. 28, 577 (2009), 10.1080/01442350903234923]. We employ permutationally invariant basis functions in Morse-type variables for all the internuclear distances to incorporate permutational symmetry with respect to interchange of H atoms into the representation of the surface. We describe how different configurations are selected in order to create the database of the interaction energies for the linear least squares fitting procedure. The root-mean-square error of the fit is 170 cm-1 for the entire data set. The surface dissociates correctly to the H_5^+ + H2 fragments. A detailed analysis of its topology, as well as comparison with additional ab initio calculations, including harmonic frequencies, verify the quality and accuracy of the parameterized potential. This is the first attempt to present an analytical representation of the 15-dimensional surface of the H_7^+ cluster for carrying out dynamics studies.

  2. Conformation Analysis of Ferrocene and Decamethylferrocene via Full-Potential Modeling of XANES and XAFS Spectra.

    PubMed

    Bourke, J D; Islam, M T; Best, S P; Tran, C Q; Wang, F; Chantler, C T

    2016-07-21

    Recent high-accuracy X-ray absorption measurements of the sandwich organometallics ferrocene (Fc) and decamethylferrocene (DmFc) at temperatures close to liquid helium are compared with new full-potential modeling of X-ray absorption fine structure (XAFS) covering the near-edge region (XANES) and above up to k = 7 Å(-1). The implementation of optimized calculations of the oscillatory part of the spectrum from the package FDMX allows detailed study of the spectra in regions of the photoelectron momentum most sensitive to differences in the molecular stereochemistry. For Fc and DmFc, this corresponds to the relative rotation of the cyclopentadienyl rings. When applied to high-accuracy XAFS of Fc and DmFc, the FDMX theory gives clear evidence for the eclipsed conformation for Fc and the staggered conformation for DmFc for frozen solutions at ca. 15 K. This represents the first clear experimental assignment of the solution structures of Fc and DmFc and reveals the potential of high-accuracy XAFS for structural analysis. PMID:27391765

  3. QSONIC- FULL POTENTIAL TRANSONIC, QUASI-THREE DIMENSIONAL FLOW THROUGH A ROTATING TURBOMACHINERY BLADE ROW

    NASA Technical Reports Server (NTRS)

    Farrell, C. A.

    1994-01-01

    A computer program, QSONIC, has been developed for calculating the full potential, transonic quasi-three-dimensional flow through a rotating turbomachinery blade row. The need for lighter, more efficient turbomachinery components has led to the consideration of machines with fewer stages, each with blades capable of higher speeds and higher loading. As speeds increase, the numerical problems inherent in the transonic regime have to be resolved. These problems include the calculation of imbedded shock discontinuities and the dual nature of the governing equations, which are elliptic in the subcritical flow regions but become hyperbolic for supersonic zones. QSONIC provides the flow analyst with a fast and reliable means of obtaining the transonic potential flow distribution on a blade-to-blade stream surface of a stationary or rotating turbomachine blade row. QSONIC combines several promising transonic analysis techniques. The full potential equation in conservative form is discretized at each point on a body-fitted period mesh. A mass balance is calculated through the finite volume surrounding each point. Each local volume is corrected in the third dimension for any change in stream-tube thickness along the stream tube. The nonlinear equations for all volumes are of mixed type (elliptic or hyperbolic) depending on the local Mach number. The final result is a block-tridiagonal matrix formulation involving potential corrections at each grid point as the unknowns. The residual of each system of equations is solved along each grid line. At points where the Mach number exceeds unity, the density at the forward (sweeping) edge of the volume is replaced by an artificial density. This method calculates the flow field about a cascade of arbitrary two-dimensional airfoils. Three-dimensional flow is approximated in a turbomachinery blade row by correcting for stream-tube convergence and radius change in the through flow direction. Several significant assumptions were made in

  4. Unlocking the full potential of Earth observation during the 2015 Texas flood disaster

    NASA Astrophysics Data System (ADS)

    Schumann, G. J.-P.; Frye, S.; Wells, G.; Adler, R.; Brakenridge, R.; Bolten, J.; Murray, J.; Slayback, D.; Policelli, F.; Kirschbaum, D.; Wu, H.; Cappelaere, P.; Howard, T.; Flamig, Z.; Clark, R.; Stough, T.; Chini, M.; Matgen, P.; Green, D.; Jones, B.

    2016-05-01

    Intense rainfall during late April and early May 2015 in Texas and Oklahoma led to widespread and sustained flooding in several river basins. Texas state agencies relevant to emergency response were activated when severe weather then ensued for 6 weeks from 8 May until 19 June following Tropical Storm Bill. An international team of scientists and flood response experts assembled and collaborated with decision-making authorities for user-driven high-resolution satellite acquisitions over the most critical areas; while experimental automated flood mapping techniques provided daily ongoing monitoring. This allowed mapping of flood inundation from an unprecedented number of spaceborne and airborne images. In fact, a total of 27,174 images have been ingested to the USGS Hazards Data Distribution System (HDDS) Explorer, except for the SAR images used. Based on the Texas flood use case, we describe the success of this effort as well as the limitations in fulfilling the needs of the decision-makers, and reflect upon these. In order to unlock the full potential for Earth observation data in flood disaster response, we suggest in a call for action (i) stronger collaboration from the onset between agencies, product developers, and decision-makers; (ii) quantification of uncertainties when combining data from different sources in order to augment information content; (iii) include a default role for the end-user in satellite acquisition planning; and (iv) proactive assimilation of methodologies and tools into the mandated agencies.

  5. Hydrodynamic parameters estimation from self-potential data in a controlled full scale site

    NASA Astrophysics Data System (ADS)

    Chidichimo, Francesco; De Biase, Michele; Rizzo, Enzo; Masi, Salvatore; Straface, Salvatore

    2015-03-01

    A multi-physical approach developed for the hydrodynamic characterization of porous media using hydrogeophysical information is presented. Several pumping tests were performed in the Hydrogeosite Laboratory, a controlled full-scale site designed and constructed at the CNR-IMAA (Consiglio Nazionale delle Ricerche - Istituto di Metodologia per l'Analisi Ambientale), in Marsico Nuovo (Basilicata Region, Southern Italy), in order to obtain an intermediate stage between laboratory experiments and field survey. The facility consists of a pool, used to study water infiltration processes, to simulate the space and time dynamics of subsurface contamination phenomena, to improve and to find new relationship between geophysical and hydrogeological parameters, to test and to calibrate new geophysical techniques and instruments. Therefore, the Hydrogeosite Laboratory has the advantage of carrying out controlled experiments, like in a flow cell or sandbox, but at field comparable scale. The data collected during the experiments have been used to estimate the saturated hydraulic conductivity ks [ms-1] using a coupled inversion model working in transient conditions, made up of the modified Richards equation describing the water flow in a variably saturated porous medium and the Poisson equation providing the self-potential ϕ [V], which naturally occurs at points of the soil surface owing to the presence of an electric field produced by the motion of underground electrolytic fluids through porous systems. The result obtained by this multi-physical numerical approach, which removes all the approximations adopted in previous works, makes a useful instrument for real heterogeneous aquifer characterization and for predictive analysis of its behavior.

  6. Full Dimensional Vibrational Calculations for Methane Using AN Accurate New AB Initio Based Potential Energy Surface

    NASA Astrophysics Data System (ADS)

    Majumder, Moumita; Dawes, Richard; Wang, Xiao-Gang; Carrington, Tucker; Li, Jun; Guo, Hua; Manzhos, Sergei

    2014-06-01

    New potential energy surfaces for methane were constructed, represented as analytic fits to about 100,000 individual high-level ab initio data. Explicitly-correlated multireference data (MRCI-F12(AE)/CVQZ-F12) were computed using Molpro [1] and fit using multiple strategies. Fits with small to negligible errors were obtained using adaptations of the permutation-invariant-polynomials (PIP) approach [2,3] based on neural-networks (PIP-NN) [4,5] and the interpolative moving least squares (IMLS) fitting method [6] (PIP-IMLS). The PESs were used in full-dimensional vibrational calculations with an exact kinetic energy operator by representing the Hamiltonian in a basis of products of contracted bend and stretch functions and using a symmetry adapted Lanczos method to obtain eigenvalues and eigenvectors. Very close agreement with experiment was produced from the purely ab initio PESs. References 1- H.-J. Werner, P. J. Knowles, G. Knizia, 2012.1 ed. 2012, MOLPRO, a package of ab initio programs. see http://www.molpro.net. 2- Z. Xie and J. M. Bowman, J. Chem. Theory Comput 6, 26, 2010. 3- B. J. Braams and J. M. Bowman, Int. Rev. Phys. Chem. 28, 577, 2009. 4- J. Li, B. Jiang and Hua Guo, J. Chem. Phys. 139, 204103 (2013). 5- S Manzhos, X Wang, R Dawes and T Carrington, JPC A 110, 5295 (2006). 6- R. Dawes, X-G Wang, A.W. Jasper and T. Carrington Jr., J. Chem. Phys. 133, 134304 (2010).

  7. Large magnetocrystalline anisotropy in bilayer transition metal phases from first-principles full-potential calculations

    NASA Astrophysics Data System (ADS)

    Ravindran, P.; Kjekshus, A.; Fjellvåg, H.; James, P.; Nordström, L.; Johansson, B.; Eriksson, O.

    2001-04-01

    The computational framework of this study is based on the local-spin-density approximation with first-principles full-potential linear muffin-tin orbital calculations including orbital polarization (OP) correction. We have studied the magnetic anisotropy for a series of bilayer CuAu(I)-type materials such as FeX, MnX (X=Ni,Pd,Pt), CoPt, NiPt, MnHg, and MnRh in a ferromagnetic state using experimental structural parameters to understand the microscopic origin of magnetic-anisotropy energy (MAE) in magnetic multilayers. Except for MnRh and MnHg, all these phases show perpendicular magnetization. We have analyzed our results in terms of angular momentum-, spin- and site-projected density of states, magnetic-angular-momentum-projected density of states, orbital-moment density of states, and total density of states. The orbital-moment number of states and the orbital-moment anisotropy for FeX (X=Ni,Pd,Pt) are calculated as a function of band filling to study its effect on MAE. The total and site-projected spin and orbital moments for all these systems are calculated with and without OP when the magnetization is along or perpendicular to the plane. The results are compared with available experimental as well as theoretical results. Our calculations show that OP always enhances the orbital moment in these phases and brings them closer to experimental values. The changes in MAE are analyzed in terms of exchange splitting, spin-orbit splitting, and tetragonal distortion/crystal-field splitting. The calculated MAE is found to be in good agreement with experimental values when the OP correction is included. Some of the materials considered here show large magnetic anisotropy of the order of meV. In particular we found that MnPt will have a very large MAE if it could be stabilized in a ferromagnetic configuration. Our analysis indicates that apart from large spin-orbit interaction and exchange interaction from at least one of the constituents, a large crystal-field splitting

  8. Accessing the Full Potential of Asteroseismology with Kepler using Realistic 3D Simulations of Stellar Convection

    NASA Astrophysics Data System (ADS)

    Trampedach, Regner

    s astrophysics program, and in particular that of the Kepler mission and the recently approved TESS mission. This analysis will remove the largest systematic effect in asteroseismology and make it possible to realize the full potential for mode-frequencies to strongly constrain stellar models and the properties of stars.

  9. All-electron Kohn–Sham density functional theory on hierarchic finite element spaces

    SciTech Connect

    Schauer, Volker; Linder, Christian

    2013-10-01

    In this work, a real space formulation of the Kohn–Sham equations is developed, making use of the hierarchy of finite element spaces from different polynomial order. The focus is laid on all-electron calculations, having the highest requirement onto the basis set, which must be able to represent the orthogonal eigenfunctions as well as the electrostatic potential. A careful numerical analysis is performed, which points out the numerical intricacies originating from the singularity of the nuclei and the necessity for approximations in the numerical setting, with the ambition to enable solutions within a predefined accuracy. In this context the influence of counter-charges in the Poisson equation, the requirement of a finite domain size, numerical quadratures and the mesh refinement are examined as well as the representation of the electrostatic potential in a high order finite element space. The performance and accuracy of the method is demonstrated in computations on noble gases. In addition the finite element basis proves its flexibility in the calculation of the bond-length as well as the dipole moment of the carbon monoxide molecule.

  10. Potential of alternative sorbents for desulphurization: from laboratory tests to the full-scale combustion unit

    SciTech Connect

    Zbyszek Szeliga; Dagmar Juchelkova; Bohumir Cech; Pavel Kolat; Franz Winter; Adam J. Campen; Tomasz S. Wiltowski

    2008-09-15

    At present, natural limestone is used for the desulphurization of waste gases from the combustion of fossil fuels. However, it is important to save all primary resources, such as limestone, for the future. The researchers focused on finding alternative sorbents for the purpose of desulphurization in a dry additive method, which would become the alternative for natural limestone. This paper is primarily focused on desulphurization tests of selected substances. Tests were initially conducted on the laboratory scale, followed by pilot and full-scale combustion units. 15 refs., 9 figs., 5 tabs.

  11. New strategies in radiation therapy: exploiting the full potential of protons.

    PubMed

    Mohan, Radhe; Mahajan, Anita; Minsky, Bruce D

    2013-12-01

    Protons provide significant dosimetric advantages compared with photons because of their unique depth-dose distribution characteristics. However, they are more sensitive to the effects of intra- and intertreatment fraction anatomic variations and uncertainties in treatment setup. Furthermore, in the current practice of proton therapy, the biologic effectiveness of protons relative to photons is assumed to have a generic fixed value of 1.1. However, this is a simplification, and it is likely higher in different portions of the proton beam. Current clinical practice and trials have not fully exploited the unique physical and biologic properties of protons. Intensity-modulated proton therapy, with its ability to manipulate energies (in addition to intensities), provides an entirely new dimension, which, with ongoing research, has considerable potential to increase the therapeutic ratio.

  12. Realizing the full potential of Remotely Sensed Active Layer Thickness (ReSALT) Products

    NASA Astrophysics Data System (ADS)

    Schaefer, K. M.; Chen, A.; Liu, L.; Parsekian, A.; Jafarov, E. E.; Panda, S. K.; Zebker, H. A.

    2015-12-01

    The Remotely Sensed Active Layer Thickness (ReSALT) product uses the Interferometric Synthetic Aperture Radar (InSAR) technique to measure ground subsidence, active layer thickness (ALT), and thermokarst activity in permafrost regions. ReSALT supports research for the Arctic-Boreal Vulnerability Experiment (ABoVE) field campaign in Alaska and northwest Canada and is a precursor for a potential Nasa-Isro Synthetic Aperture Radar (NISAR) product. ALT is a critical parameter for monitoring the status of permafrost and thermokarst activity is one of the key drivers of change in permafrost regions. The ReSALT product currently includes 1) long-term subsidence trends resulting from the melting and subsequent drainage of excess ground ice in permafrost-affected soils, 2) seasonal subsidence resulting from the expansion of soil water into ice as the active layer freezes and thaws, and 3) ALT estimated from the seasonal subsidence assuming a vertical profile of water within the soil column. ReSALT includes uncertainties for all parameters and is validated against in situ measurements from the Circumpolar Active Layer Monitoring (CALM) network, Ground Penetrating Radar and mechanical probe measurements. We present high resolution ReSALT products on the North Slope of Alaska: Prudhoe Bay, Barrow, Toolik Lake, Happy Valley, and the Anaktuvuk fire zone. We believe that the ReSALT product could be expanded to include maps of individual thermokarst features identified as spatial anomalies in the subsidence trends, with quantified expansion rates. We illustrate the technique with multiple examples of thermokarst features on the North Slope of Alaska. Knowing the locations and expansion rates for individual features allows us to evaluate risks to human infrastructure. Our results highlight the untapped potential of the InSAR technique to remotely sense ALT and thermokarst dynamics over large areas of the Arctic.

  13. The Cape Town Declaration on Vaccines 2012: Unlocking the full potential of vaccines in Africa.

    PubMed

    Wiysonge, Charles S; Waggie, Zainab; Hawkridge, Anthony; Schoub, Barry D; Madhi, Shabir A; Rees, Helen; Hussey, Gregory D

    2016-07-19

    Delegates at the first International African Vaccinology Conference noted, with dismay, that many African children have limited access to existing and new vaccines as a consequence of weak immunisation programmes, lack of political will, and high vaccine prices. This inequality is a denial of the African child her basic right to a healthy life, and jeopardises long term economic growth on the continent. In addition, there is insufficient emphasis in Africa on adolescent and adult immunisation. The delegates documented various concerns and made various commitments; contained in this Cape Town Declaration on Vaccines, adopted on 11 November 2012. Finally, delegates confirmed their agreement with the goals and strategic objectives of the Global Vaccine Action Plan, and committed to hold African leaders accountable for its implementation during the Decade of Vaccines. The full list of registered conference delegates is provided as supplementary data to this manuscript. PMID:27317265

  14. Full p53 transcriptional activation potential is dispensable for tumor suppression in diverse lineages.

    PubMed

    Jiang, Dadi; Brady, Colleen A; Johnson, Thomas M; Lee, Eunice Y; Park, Eunice J; Scott, Matthew P; Attardi, Laura D

    2011-10-11

    Over half of all human cancers, of a wide variety of types, sustain mutations in the p53 tumor suppressor gene. Although p53 limits tumorigenesis through the induction of apoptosis or cell cycle arrest, its molecular mechanism of action in tumor suppression has been elusive. The best-characterized p53 activity in vitro is as a transcriptional activator, but the identification of numerous additional p53 biochemical activities in vitro has made it unclear which mechanism accounts for tumor suppression. Here, we assess the importance of transcriptional activation for p53 tumor suppression function in vivo in several tissues, using a knock-in mouse strain expressing a p53 mutant compromised for transcriptional activation, p53(25,26). p53(25,26) is severely impaired for the transactivation of numerous classical p53 target genes, including p21, Noxa, and Puma, but it retains the ability to activate a small subset of p53 target genes, including Bax. Surprisingly, p53(25,26) can nonetheless suppress tumor growth in cancers derived from the epithelial, mesenchymal, central nervous system, and lymphoid lineages. Therefore, full transactivation of most p53 target genes is dispensable for p53 tumor suppressor function in a range of tissue types. In contrast, a transcriptional activation mutant that is completely defective for transactivation, p53(25,26,53,54), fails to suppress tumor development. These findings demonstrate that transcriptional activation is indeed broadly critical for p53 tumor suppressor function, although this requirement reflects the limited transcriptional activity observed with p53(25,26) rather than robust transactivation of a full complement of p53 target genes.

  15. Liquid chloroform structure from computer simulation with a full ab initio intermolecular interaction potential

    SciTech Connect

    Yin, Chih-Chien; Li, Arvin Huang-Te; Chao, Sheng D.

    2013-11-21

    We have calculated the intermolecular interaction energies of the chloroform dimer in 12 orientations using the second-order Møller-Plesset perturbation theory. Single point energies of important geometries were calibrated by the coupled cluster with single and double and perturbative triple excitation method. Dunning's correlation consistent basis sets up to aug-cc-pVQZ have been employed in extrapolating the interaction energies to the complete basis set limit values. With the ab initio potential data we constructed a 5-site force field model for molecular dynamics simulations. We compared the simulation results with recent experiments and obtained quantitative agreements for the detailed atomwise radial distribution functions. Our results were also consistent with previous results using empirical force fields with polarization effects. Moreover, the calculated diffusion coefficients reproduced the experimental data over a wide range of thermodynamic conditions. To the best of our knowledge, this is the first ab initio force field which is capable of competing with existing empirical force fields for liquid chloroform.

  16. Full dimension Rb2He ground triplet potential energy surface and quantum scattering calculations.

    PubMed

    Guillon, Grégoire; Viel, Alexandra; Launay, Jean-Michel

    2012-05-01

    We have developed a three-dimensional potential energy surface for the lowest triplet state of the Rb(2)He complex. A global analytic fit is provided as in the supplementary material [see supplementary material at http://dx.doi.org/10.1063/1.4709433 for the corresponding Fortran code]. This surface is used to perform quantum scattering calculations of (4)He and (3)He colliding with (87)Rb(2) in the partial wave J = 0 at low and ultralow energies. For the heavier helium isotope, the computed vibrational relaxation probabilities show a broad and strong shape resonance for a collisional energy of 0.15 K and a narrow Feshbach resonance at about 17 K for all initial Rb(2) vibrational states studied. The broad resonance corresponds to an efficient relaxation mechanism that does not occur when (3)He is the colliding partner. The Feshbach resonance observed at higher collisional energy is robust with respect to the isotopic substitution. However, its effect on the vibrational relaxation mechanism is faint for both isotopes. PMID:22583230

  17. Cell therapy for full-thickness wounds: are fetal dermal cells a potential source?

    PubMed

    Akershoek, J J; Vlig, M; Talhout, W; Boekema, B K H L; Richters, C D; Beelen, R H J; Brouwer, K M; Middelkoop, E; Ulrich, M M W

    2016-04-01

    The application of autologous dermal fibroblasts has been shown to improve burn wound healing. However, a major hurdle is the availability of sufficient healthy skin as a cell source. We investigated fetal dermal cells as an alternative source for cell-based therapy for skin regeneration. Human (hFF), porcine fetal (pFF) or autologous dermal fibroblasts (AF) were seeded in a collagen-elastin substitute (Novomaix, NVM), which was applied in combination with an autologous split thickness skin graft (STSG) to evaluate the effects of these cells on wound healing in a porcine excisional wound model. Transplantation of wounds with NVM+hFF showed an increased influx of inflammatory cells (e.g., neutrophils, macrophages, CD4(+) and CD8(+) lymphocytes) compared to STSG, acellular NVM (Acell-NVM) and NVM+AF at post-surgery days 7 and/or 14. Wounds treated with NVM+pFF presented only an increase in CD8(+) lymphocyte influx. Furthermore, reduced alpha-smooth muscle actin (αSMA) expression in wound areas and reduced contraction of the wounds was observed with NVM+AF compared to Acell-NVM. Xenogeneic transplantation of NVM+hFF increased αSMA expression in wounds compared to NVM+AF. An improved scar quality was observed for wounds treated with NVM+AF compared to Acell-NVM, NVM+hFF and NVM+pFF at day 56. In conclusion, application of autologous fibroblasts improved the overall outcome of wound healing in comparison to fetal dermal cells and Acell-NVM, whereas application of fetal dermal fibroblasts in NVM did not improve wound healing of full-thickness wounds in a porcine model. Although human fetal dermal cells demonstrated an increased immune response, this did not seem to affect scar quality.

  18. Thermophilic sludge digestion improves energy balance and nutrient recovery potential in full-scale municipal wastewater treatment plants.

    PubMed

    De Vrieze, Jo; Smet, Davey; Klok, Jacob; Colsen, Joop; Angenent, Largus T; Vlaeminck, Siegfried E

    2016-10-01

    The conventional treatment of municipal wastewater by means of activated sludge is typically energy demanding. Here, the potential benefits of: (1) the optimization of mesophilic digestion; and (2) transitioning to thermophilic sludge digestion in three wastewater treatment plants (Tilburg-Noord, Land van Cuijk and Bath) in the Netherlands is evaluated, including a full-scale trial validation in Bath. In Tilburg-Noord, thermophilic sludge digestion covered the energy requirements of the plant (102%), whereas 111% of sludge operational treatment costs could be covered in Bath. Thermophilic sludge digestion also resulted in a strong increase in nutrient release. The potential for nutrient recovery was evaluated via: (1) stripping/absorption of ammonium; (2) autotrophic removal of ammonium via partial nitritation/anammox; and (3) struvite precipitation. This research shows that optimization of sludge digestion may lead to a strong increase in energy recovery, sludge treatment costs reduction, and the potential for advanced nutrient management in full-scale sewage treatment plants.

  19. Full-Potential Modeling of Blade-Vortex Interactions. Degree awarded by George Washington Univ., Feb. 1987

    NASA Technical Reports Server (NTRS)

    Jones, Henry E.

    1997-01-01

    A study of the full-potential modeling of a blade-vortex interaction was made. A primary goal of this study was to investigate the effectiveness of the various methods of modeling the vortex. The model problem restricts the interaction to that of an infinite wing with an infinite line vortex moving parallel to its leading edge. This problem provides a convenient testing ground for the various methods of modeling the vortex while retaining the essential physics of the full three-dimensional interaction. A full-potential algorithm specifically tailored to solve the blade-vortex interaction (BVI) was developed to solve this problem. The basic algorithm was modified to include the effect of a vortex passing near the airfoil. Four different methods of modeling the vortex were used: (1) the angle-of-attack method, (2) the lifting-surface method, (3) the branch-cut method, and (4) the split-potential method. A side-by-side comparison of the four models was conducted. These comparisons included comparing generated velocity fields, a subcritical interaction, and a critical interaction. The subcritical and critical interactions are compared with experimentally generated results. The split-potential model was used to make a survey of some of the more critical parameters which affect the BVI.

  20. All-electronic biosensing in microfluidics: bulk and surface impedance sensing

    NASA Astrophysics Data System (ADS)

    Fraikin, Jean-Luc

    All-electronic, impedance-based sensing techniques offer promising new routes for probing nanoscale biological processes. The ease with which electrical probes can be fabricated at the nanoscale and integrated into microfluidic systems, combined with the large bandwidth afforded by radiofrequency electrical measurement, gives electrical detection significant advantages over other sensing approaches. We have developed two microfluidic devices for impedance-based biosensing. The first is a novel radiofrequency (rf) field-effect transistor which uses the electrolytic Debye layer as its active element. We demonstrate control of the nm-thick Debye layer using an external gate voltage, with gate modulation at frequencies as high 5 MHz. We use this sensor to make quantitative measurements of the electric double-layer capacitance, including determining and controlling the potential of zero charge of the electrodes, a quantity of importance for electrochemistry and impedance-based biosensing. The second device is a microfluidic analyzer for high-throughput, label-free measurement of nanoparticles suspended in a fluid. We demonstrate detection and volumetric analysis of individual synthetic nanoparticles (<100 nm dia.) with sufficient throughput to analyze >500,000 particles/second, and are able to distinguish subcomponents of a polydisperse particle mixture with diameters larger than about 30-40 nm. We also demonstrate the rapid (seconds) size and titer analysis of unlabeled bacteriophage T7 (55-65 nm dia.) in both salt solution and mouse blood plasma, using ˜ 1 muL of analyte. Surprisingly, we find that the background of naturally-occurring nanoparticles in plasma have a power-law size distribution. The scalable fabrication of these instruments, and the simple electronics required for readout make them well-suited for practical applications.

  1. Thermophilic sludge digestion improves energy balance and nutrient recovery potential in full-scale municipal wastewater treatment plants.

    PubMed

    De Vrieze, Jo; Smet, Davey; Klok, Jacob; Colsen, Joop; Angenent, Largus T; Vlaeminck, Siegfried E

    2016-10-01

    The conventional treatment of municipal wastewater by means of activated sludge is typically energy demanding. Here, the potential benefits of: (1) the optimization of mesophilic digestion; and (2) transitioning to thermophilic sludge digestion in three wastewater treatment plants (Tilburg-Noord, Land van Cuijk and Bath) in the Netherlands is evaluated, including a full-scale trial validation in Bath. In Tilburg-Noord, thermophilic sludge digestion covered the energy requirements of the plant (102%), whereas 111% of sludge operational treatment costs could be covered in Bath. Thermophilic sludge digestion also resulted in a strong increase in nutrient release. The potential for nutrient recovery was evaluated via: (1) stripping/absorption of ammonium; (2) autotrophic removal of ammonium via partial nitritation/anammox; and (3) struvite precipitation. This research shows that optimization of sludge digestion may lead to a strong increase in energy recovery, sludge treatment costs reduction, and the potential for advanced nutrient management in full-scale sewage treatment plants. PMID:27423372

  2. Net mitigation potential of straw return to Chinese cropland: estimation with a full greenhouse gas budget model.

    PubMed

    Lu, Fei; Wang, Xiaoke; Han, Bing; Ouyang, Zhiyun; Duan, Xiaonan; Zheng, Hua

    2010-04-01

    Based on the carbon-nitrogen cycles and greenhouse gas (GHG) mitigation and emission processes related to straw return and burning, a compound greenhouse gas budget model, the "Straw Return and Burning Model" (SRBM), was constructed to estimate the net mitigation potential of straw return to the soil in China. As a full GHG budget model, the SRBM addressed the following five processes: (1) soil carbon sequestration, (2) mitigation of synthetic N fertilizer substitution, (3) methane emission from rice paddies, (4) additional fossil fuel use for straw return, and (5) CH4 and N2O emissions from straw burning in the fields. Two comparable scenarios were created to reflect different degrees of implementation for straw return and straw burning. With GHG emissions and mitigation effects of the five processes converted into global warming potential (GWP), the net GHG mitigation was estimated. We concluded that (1) when the full greenhouse gas budget is considered, the net mitigation potential of straw return differs from that when soil carbon sequestration is considered alone; (2) implementation of straw return across a larger area of cropland in 10 provinces (i.e., Shanghai, Jiangsu, Zhejiang, Fujian, Jiangxi, Hubei, Hunan, Guangdong, Guangxi, and Hainan) will increase net GHG emission; (3) if straw return is promoted as a feasible mitigation measure in the remaining provinces, the total net mitigation potential before soil organic carbon (SOC) saturation will be 71.89 Tg CO2 equivalent (eqv)/yr, which is equivalent to 1.733% of the annual carbon emission from fossil fuel use in China in 2003; (4) after SOC saturation, only 13 of 21 provinces retain a relatively small but permanent net mitigation potential, while in the others the net GHG mitigation potential will gradually diminish; and (5) the major obstacle to the feasibility or permanence of straw return as a mitigation measure is the increased CH4 emission from rice paddies. The paper also suggests that comparable

  3. Representing Adiabatic Potential Energy Surfaces Coupled by Conical Intersections in their Full Dimensionality Using Coupled Quasi-Diabatic States

    NASA Astrophysics Data System (ADS)

    Yarkony, David

    2015-03-01

    The construction of fit single state potential energy surfaces (PESs), analytic representations of ab initio electronic energies and energy gradients, is now well established. These single state PESs, which are essential for accurate quantum dynamics and have found wide application in more approximate quasi-classical treatments, have revolutionized adiabatic dynamics. The situation for nonadiabatic processes involving dissociative and large amplitude motion is less sanguine. In these cases, compared to single electronic state dynamics, both the electronic structure data and the representation are more challenging to determine. We describe the recent development and applications of algorithms that enable description of multiple adiabatic electronic potential energy surfaces coupled by conical intersections in their full dimensionality using coupled quasi-diabatic states. These representations are demonstrably quasi-diabatic, provide accurate representations of conical intersection seams and can smooth out the discontinuities in electronic structure energies due to changing active orbital spaces that routinely afflict global multistate representations.

  4. Communication: A benchmark-quality, full-dimensional ab initio potential energy surface for Ar-HOCO

    SciTech Connect

    Conte, Riccardo E-mail: jmbowma@emory.edu; Bowman, Joel M. E-mail: jmbowma@emory.edu; Houston, Paul L.

    2014-04-21

    A full-dimensional, global ab initio potential energy surface (PES) for the Ar-HOCO system is presented. The PES consists of a previous intramolecular ab initio PES for HOCO [J. Li, C. Xie, J. Ma, Y. Wang, R. Dawes, D. Xie, J. M. Bowman, and H. Guo, J. Phys. Chem. A 116, 5057 (2012)], plus a new permutationally invariant interaction potential based on fitting 12 432 UCCSD(T)-F12a/aVDZ counterpoise-corrected energies. The latter has a total rms fitting error of about 25 cm{sup −1} for fitted interaction energies up to roughly 12 000 cm{sup −1}. Two additional fits are presented. One is a novel very compact permutational invariant representation, which contains terms only involving the Ar-atom distances. The rms fitting error for this fit is 193 cm{sup −1}. The other fit is the widely used pairwise one. The pairwise fit to the entire data set has an rms fitting error of 427 cm{sup −1}. All of these potentials are used in preliminary classical trajectory calculations of energy transfer with a focus on comparisons with the results using the benchmark potential.

  5. Validity of virial theorem in all-electron mixed basis density functional, Hartree-Fock, and GW calculations.

    PubMed

    Kuwahara, Riichi; Tadokoro, Yoichi; Ohno, Kaoru

    2014-08-28

    In this paper, we calculate kinetic and potential energy contributions to the electronic ground-state total energy of several isolated atoms (He, Be, Ne, Mg, Ar, and Ca) by using the local density approximation (LDA) in density functional theory, the Hartree-Fock approximation (HFA), and the self-consistent GW approximation (GWA). To this end, we have implemented self-consistent HFA and GWA routines in our all-electron mixed basis code, TOMBO. We confirm that virial theorem is fairly well satisfied in all of these approximations, although the resulting eigenvalue of the highest occupied molecular orbital level, i.e., the negative of the ionization potential, is in excellent agreement only in the case of the GWA. We find that the wave function of the lowest unoccupied molecular orbital level of noble gas atoms is a resonating virtual bound state, and that of the GWA spreads wider than that of the LDA and thinner than that of the HFA.

  6. Validity of virial theorem in all-electron mixed basis density functional, Hartree–Fock, and GW calculations

    SciTech Connect

    Kuwahara, Riichi; Tadokoro, Yoichi; Ohno, Kaoru

    2014-08-28

    In this paper, we calculate kinetic and potential energy contributions to the electronic ground-state total energy of several isolated atoms (He, Be, Ne, Mg, Ar, and Ca) by using the local density approximation (LDA) in density functional theory, the Hartree–Fock approximation (HFA), and the self-consistent GW approximation (GWA). To this end, we have implemented self-consistent HFA and GWA routines in our all-electron mixed basis code, TOMBO. We confirm that virial theorem is fairly well satisfied in all of these approximations, although the resulting eigenvalue of the highest occupied molecular orbital level, i.e., the negative of the ionization potential, is in excellent agreement only in the case of the GWA. We find that the wave function of the lowest unoccupied molecular orbital level of noble gas atoms is a resonating virtual bound state, and that of the GWA spreads wider than that of the LDA and thinner than that of the HFA.

  7. Fundamental High-Pressure Calibration from All-Electron Quantum Monte Carlo Calculations

    SciTech Connect

    Esler, K. P.; Cohen, R. E.; Militzer, B.; Kim, Jeongnim; Needs, R. J.; Towler, M. D.

    2010-05-07

    We develop an all-electron quantum Monte Carlo (QMC) method for solids that does not rely on pseudopotentials, and use it to construct a primary ultra-high-pressure calibration based on the equation of state of cubic boron nitride. We compute the static contribution to the free energy with the QMC method and obtain the phonon contribution from density functional theory, yielding a high-accuracy calibration up to 900 GPa usable directly in experiment. We compute the anharmonic Raman frequency shift with QMC simulations as a function of pressure and temperature, allowing optical pressure calibration. In contrast to present experimental approaches, small systematic errors in the theoretical EOS do not increase with pressure, and no extrapolation is needed. This all-electron method is applicable to first-row solids, providing a new reference for ab initio calculations of solids and benchmarks for pseudopotential accuracy.

  8. Potential pathways by which maternal second-hand smoke exposure during pregnancy causes full-term low birth weight.

    PubMed

    Niu, Zhongzheng; Xie, Chuanbo; Wen, Xiaozhong; Tian, Fuying; Yuan, Shixin; Jia, Deqin; Chen, Wei-Qing

    2016-01-01

    It is well documented that maternal exposure to second-hand smoke (SHS) during pregnancy causes low birth weight (LBW), but its mechanism remains unknown. This study explored the potential pathways. We enrolled 195 pregnant women who delivered full-term LBW newborns, and 195 who delivered full-term normal birth weight newborns as the controls. After controlling for maternal age, education level, family income, pre-pregnant body mass index, newborn gender and gestational age, logistic regression analysis revealed that LBW was significantly and positively associated with maternal exposure to SHS during pregnancy, lower placental weight, TNF-α and IL-1β, and that SHS exposure was significantly associated with lower placental weight, TNF-α and IL-1β. Structural equation modelling identified two plausible pathways by which maternal exposure to SHS during pregnancy might cause LBW. First, SHS exposure induced the elevation of TNF-α, which might directly increase the risk of LBW by transmission across the placenta. Second, SHS exposure first increased maternal secretion of IL-1β and TNF-α, which then triggered the secretion of VCAM-1; both TNF-α and VCAM-1 were significantly associated with lower placental weight, thus increasing the risk of LBW. In conclusion, maternal exposure to SHS during pregnancy may lead to LBW through the potential pathways of maternal inflammation and lower placental weight. PMID:27126191

  9. Potential pathways by which maternal second-hand smoke exposure during pregnancy causes full-term low birth weight

    PubMed Central

    Niu, Zhongzheng; Xie, Chuanbo; Wen, Xiaozhong; Tian, Fuying; Yuan, Shixin; Jia, Deqin; Chen, Wei-Qing

    2016-01-01

    It is well documented that maternal exposure to second-hand smoke (SHS) during pregnancy causes low birth weight (LBW), but its mechanism remains unknown. This study explored the potential pathways. We enrolled 195 pregnant women who delivered full-term LBW newborns, and 195 who delivered full-term normal birth weight newborns as the controls. After controlling for maternal age, education level, family income, pre-pregnant body mass index, newborn gender and gestational age, logistic regression analysis revealed that LBW was significantly and positively associated with maternal exposure to SHS during pregnancy, lower placental weight, TNF-α and IL-1β, and that SHS exposure was significantly associated with lower placental weight, TNF-α and IL-1β. Structural equation modelling identified two plausible pathways by which maternal exposure to SHS during pregnancy might cause LBW. First, SHS exposure induced the elevation of TNF-α, which might directly increase the risk of LBW by transmission across the placenta. Second, SHS exposure first increased maternal secretion of IL-1β and TNF-α, which then triggered the secretion of VCAM-1; both TNF-α and VCAM-1 were significantly associated with lower placental weight, thus increasing the risk of LBW. In conclusion, maternal exposure to SHS during pregnancy may lead to LBW through the potential pathways of maternal inflammation and lower placental weight. PMID:27126191

  10. Full-dimensional vibrational calculations for H5O2+ using an ab initio potential energy surface

    NASA Astrophysics Data System (ADS)

    McCoy, Anne B.; Huang, Xinchuan; Carter, Stuart; Landeweer, Marc Y.; Bowman, Joel M.

    2005-02-01

    We report quantum diffusion Monte Carlo (DMC) and variational calculations in full dimensionality for selected vibrational states of H5O2+ using a new ab initio potential energy surface [X. Huang, B. Braams, and J. M. Bowman, J. Chem. Phys. 122, 044308 (2005)]. The energy and properties of the zero-point state are focused on in the rigorous DMC calculations. OH-stretch fundamentals are also calculated using "fixed-node" DMC calculations and variationally using two versions of the code MULTIMODE. These results are compared with infrared multiphoton dissociation measurements of Yeh et al. [L. I. Yeh, M. Okumura, J. D. Myers, J. M. Price, and Y. T. Lee, J. Chem. Phys. 91, 7319 (1989)]. Some preliminary results for the energies of several modes of the shared hydrogen are also reported.

  11. Computer program for calculating full potential transonic, quasi-three-dimensional flow through a rotating turbomachinery blade row

    NASA Technical Reports Server (NTRS)

    Farrell, C. A.

    1982-01-01

    A fast, reliable computer code is described for calculating the flow field about a cascade of arbitrary two dimensional airfoils. The method approximates the three dimensional flow in a turbomachinery blade row by correcting for stream tube convergence and radius change in the throughflow direction. A fully conservative solution of the full potential equation is combined with the finite volume technique on a body-fitted periodic mesh, with an artificial density imposed in the transonic region to insure stability and the capture of shock waves. The instructions required to set up and use the code are included. The name of the code is QSONIC. A numerical example is also given to illustrate the output of the program.

  12. A full-dimensional analytical potential energy surface for the F+CH4→HF + CH3 reaction

    NASA Astrophysics Data System (ADS)

    Yang, Chuan-Lu; Wang, Mei-Shan; Liu, Wen-Wang; Zhang, Zhi-Hong; Ma, Xiao-Guang

    2013-06-01

    A full-dimensional analytical potential energy surface (APES) for the F + CH4 →HF + CH3 reaction is developed based on 7127 ab initio energy points at the unrestricted coupled-cluster with single, double, and perturbative triple excitations. The correlation-consistent polarized triple-split valence basis set is used. The APES is represented with a many-body expansion containing 239 parameters determined by the least square fitting method. The two-body terms of the APES are fitted by potential energy curves with multi-reference configuration interaction, which can describe the diatomic molecules (CH, H2, HF, and CF) accurately. It is found that the APES can reproduce the geometry and vibrational frequencies of the saddle point better than those available in the literature. The rate constants based on the present APES support the experimental results of Moore et al. [Int. J. Chem. Kin. 26, 813 (1994)]. The analytical first-order derivation of energy is also provided, making the present APES convenient and efficient for investigating the title reaction with quasiclassical trajectory calculations.

  13. Ground- and excited-state properties of inorganic solids from full-potential density-functional calculations

    NASA Astrophysics Data System (ADS)

    Ravindran, P.; Vidya, R.; Vajeeston, P.; Kjekshus, A.; Fjellvåg, H.

    2003-12-01

    The development in theoretical condensed-matter science based on density-functional theory (DFT) has reached a level where it is possible, from "parameter-free" quantum mechanical calculations to obtain total energies, forces, vibrational frequencies, magnetic moments, mechanical and optical properties and so forth. The calculation of such properties are important in the analyses of experimental data and they can be predicted with a precision that is sufficient for comparison with experiments. It is almost impossible to do justice to all developments achieved by DFT because of its rapid growth. Hence, it has here been focused on a few advances, primarily from our laboratory. Unusual bonding behaviors in complex materials are conveniently explored using the combination of charge density, charge transfer, and electron-localization function along with crystal-orbital Hamilton-population analyses. It is indicated that the elastic properties of materials can reliably be predicted from DFT calculations if one takes into account the structural relaxations along with gradient corrections in the calculations. Experimental techniques have their limitations in studies of the structural stability and pressure-induced structural transitions in hydride materials whereas the present theoretical approach can be applied to reliably predict properties under extreme pressures. From the spin-polarized, relativistic full-potential calculations one can study novel materials such as ruthenates, quasi-one-dimensional oxides, and spin-, charge-, and orbital-ordering in magnetic perovskite-like oxides. The importance of orbital-polarization correction to the DFT to predict the magnetic anisotropy in transition-metal compounds and magnetic moments in lanthanides and actinides are emphasized. Apart from the full-potential treatment, proper magnetic ordering as well as structural distortions have to be taken into account to predict correctly the insulating behavior of transition-metal oxides

  14. All-electron GW quasiparticle band structures of group 14 nitride compounds

    SciTech Connect

    Chu, Iek-Heng; Cheng, Hai-Ping; Kozhevnikov, Anton; Schulthess, Thomas C.

    2014-07-28

    We have investigated the group 14 nitrides (M{sub 3}N{sub 4}) in the spinel phase (γ-M{sub 3}N{sub 4} with M = C, Si, Ge, and Sn) and β phase (β-M{sub 3}N{sub 4} with M = Si, Ge, and Sn) using density functional theory with the local density approximation and the GW approximation. The Kohn-Sham energies of these systems have been first calculated within the framework of full-potential linearized augmented plane waves (LAPW) and then corrected using single-shot G{sub 0}W{sub 0} calculations, which we have implemented in the modified version of the Elk full-potential LAPW code. Direct band gaps at the Γ point have been found for spinel-type nitrides γ-M{sub 3}N{sub 4} with M = Si, Ge, and Sn. The corresponding GW-corrected band gaps agree with experiment. We have also found that the GW calculations with and without the plasmon-pole approximation give very similar results, even when the system contains semi-core d electrons. These spinel-type nitrides are novel materials for potential optoelectronic applications because of their direct and tunable band gaps.

  15. All-electron GW quasiparticle band structures of group 14 nitride compounds

    NASA Astrophysics Data System (ADS)

    Chu, Iek-Heng; Kozhevnikov, Anton; Schulthess, Thomas C.; Cheng, Hai-Ping

    2014-07-01

    We have investigated the group 14 nitrides (M3N4) in the spinel phase (γ-M3N4 with M = C, Si, Ge, and Sn) and β phase (β-M3N4 with M = Si, Ge, and Sn) using density functional theory with the local density approximation and the GW approximation. The Kohn-Sham energies of these systems have been first calculated within the framework of full-potential linearized augmented plane waves (LAPW) and then corrected using single-shot G0W0 calculations, which we have implemented in the modified version of the Elk full-potential LAPW code. Direct band gaps at the Γ point have been found for spinel-type nitrides γ-M3N4 with M = Si, Ge, and Sn. The corresponding GW-corrected band gaps agree with experiment. We have also found that the GW calculations with and without the plasmon-pole approximation give very similar results, even when the system contains semi-core d electrons. These spinel-type nitrides are novel materials for potential optoelectronic applications because of their direct and tunable band gaps.

  16. Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT.

    PubMed

    Ringe, Stefan; Oberhofer, Harald; Hille, Christoph; Matera, Sebastian; Reuter, Karsten

    2016-08-01

    The size-modified Poisson-Boltzmann (MPB) equation is an efficient implicit solvation model which also captures electrolytic solvent effects. It combines an account of the dielectric solvent response with a mean-field description of solvated finite-sized ions. We present a general solution scheme for the MPB equation based on a fast function-space-oriented Newton method and a Green's function preconditioned iterative linear solver. In contrast to popular multigrid solvers, this approach allows us to fully exploit specialized integration grids and optimized integration schemes. We describe a corresponding numerically efficient implementation for the full-potential density-functional theory (DFT) code FHI-aims. We show that together with an additional Stern layer correction the DFT+MPB approach can describe the mean activity coefficient of a KCl aqueous solution over a wide range of concentrations. The high sensitivity of the calculated activity coefficient on the employed ionic parameters thereby suggests to use extensively tabulated experimental activity coefficients of salt solutions for a systematic parametrization protocol. PMID:27323006

  17. Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT.

    PubMed

    Ringe, Stefan; Oberhofer, Harald; Hille, Christoph; Matera, Sebastian; Reuter, Karsten

    2016-08-01

    The size-modified Poisson-Boltzmann (MPB) equation is an efficient implicit solvation model which also captures electrolytic solvent effects. It combines an account of the dielectric solvent response with a mean-field description of solvated finite-sized ions. We present a general solution scheme for the MPB equation based on a fast function-space-oriented Newton method and a Green's function preconditioned iterative linear solver. In contrast to popular multigrid solvers, this approach allows us to fully exploit specialized integration grids and optimized integration schemes. We describe a corresponding numerically efficient implementation for the full-potential density-functional theory (DFT) code FHI-aims. We show that together with an additional Stern layer correction the DFT+MPB approach can describe the mean activity coefficient of a KCl aqueous solution over a wide range of concentrations. The high sensitivity of the calculated activity coefficient on the employed ionic parameters thereby suggests to use extensively tabulated experimental activity coefficients of salt solutions for a systematic parametrization protocol.

  18. Full Empirical Potential Curves and Improved Dissociation Energies for the X ^1Σ^+ and a ^1Π States of CH^+

    NASA Astrophysics Data System (ADS)

    Cho, Young-Sang; Le Roy, Robert

    2014-06-01

    CH^+ has been a species of interest since the dawn of molecular astrophysics,and it is an important intermediate in combustion processes. In the domain of `conventional' spectroscopy there have been a number of studies of low v' and v" portions of the A ^1Π-X ^1Σ^+ band system of various isotopologues, and Amano recently reported microwave measurements of the ground-state R(0) lines of 12CH^+, 13CH^+ and 12CD^+. used photodissociation spectroscopy to observe transitions to very high-J' tunneling-predissociation levels (shape resonances) involving v(A)=0-10, for many of which they also measured the photo-fragment kinetic energy release. More recently Hechtfischer et al. used photodissociation spectroscopy of `Feschbach resonance' levels at very high v'(A) and low J' to obtain the first direct measurement of the 12CH^+ dissociation energy with near-spectroscopic accuracy (± 1.1 cm-1). However, to date, all analyses of the data for this system had been performed using traditional band-constant or Dunham-expansion fits to data for the lowest vibrational levels, and there have been no attempts to combine the `conventional' low-v data with the high-J' and high-v' photodissociation data in a single treatment. The present work has addressed this problem by performing a Direct-Potential-Fit (DPF) analysis that obtains full analytic potential energy functions for the X ^1Σ^+ and A ^1Π states of CH^+ that are able to account for all of the available data (on average) within their uncertainties. A.E. Douglas and G. Herzberg, Astrophys. J. 94, 381 (1941). T. Amano, Astrophys. J. Lett. {716}, L1 (2010) H. Helm, P.C. Crosby, M.M. Graff and J.T. Mosley, Phys. Rev. A 25, 304 (1982) U. Hechtfischer and C. J. Williams, M. Lange, J. Linkemann, D. Schwalm, R. Wester, A. Wolf and D. Zajfman, J.Chem.Phys. 117, 8754 (2002). H.S.P. Müller, Astron. Astrophys. 514, L7 (2010)

  19. Validity of virial theorem in all-electron mixed basis density functional, Hartree-Fock, and GW calculations.

    PubMed

    Kuwahara, Riichi; Tadokoro, Yoichi; Ohno, Kaoru

    2014-08-28

    In this paper, we calculate kinetic and potential energy contributions to the electronic ground-state total energy of several isolated atoms (He, Be, Ne, Mg, Ar, and Ca) by using the local density approximation (LDA) in density functional theory, the Hartree-Fock approximation (HFA), and the self-consistent GW approximation (GWA). To this end, we have implemented self-consistent HFA and GWA routines in our all-electron mixed basis code, TOMBO. We confirm that virial theorem is fairly well satisfied in all of these approximations, although the resulting eigenvalue of the highest occupied molecular orbital level, i.e., the negative of the ionization potential, is in excellent agreement only in the case of the GWA. We find that the wave function of the lowest unoccupied molecular orbital level of noble gas atoms is a resonating virtual bound state, and that of the GWA spreads wider than that of the LDA and thinner than that of the HFA. PMID:25173006

  20. Large-scale All-electron Density Functional Theory Calculations using Enriched Finite Element Method

    NASA Astrophysics Data System (ADS)

    Kanungo, Bikash; Gavini, Vikram

    We present a computationally efficient method to perform large-scale all-electron density functional theory calculations by enriching the Lagrange polynomial basis in classical finite element (FE) discretization with atom-centered numerical basis functions, which are obtained from the solutions of the Kohn-Sham (KS) problem for single atoms. We term these atom-centered numerical basis functions as enrichment functions. The integrals involved in the construction of the discrete KS Hamiltonian and overlap matrix are computed using an adaptive quadrature grid based on gradients in the enrichment functions. Further, we propose an efficient scheme to invert the overlap matrix by exploiting its LDL factorization and employing spectral finite elements along with Gauss-Lobatto quadrature rules. Finally, we use a Chebyshev polynomial based acceleration technique to compute the occupied eigenspace in each self-consistent iteration. We demonstrate the accuracy, efficiency and scalability of the proposed method on various metallic and insulating benchmark systems, with systems ranging in the order of 10,000 electrons. We observe a 50-100 fold reduction in the overall computational time when compared to classical FE calculations while being commensurate with the desired chemical accuracy. We acknowledge the support of NSF (Grant No. 1053145) and ARO (Grant No. W911NF-15-1-0158) in conducting this work.

  1. Predicting Pt-195 NMR chemical shift using new relativistic all-electron basis set.

    PubMed

    Paschoal, D; Guerra, C Fonseca; de Oliveira, M A L; Ramalho, T C; Dos Santos, H F

    2016-10-01

    Predicting NMR properties is a valuable tool to assist the experimentalists in the characterization of molecular structure. For heavy metals, such as Pt-195, only a few computational protocols are available. In the present contribution, all-electron Gaussian basis sets, suitable to calculate the Pt-195 NMR chemical shift, are presented for Pt and all elements commonly found as Pt-ligands. The new basis sets identified as NMR-DKH were partially contracted as a triple-zeta doubly polarized scheme with all coefficients obtained from a Douglas-Kroll-Hess (DKH) second-order scalar relativistic calculation. The Pt-195 chemical shift was predicted through empirical models fitted to reproduce experimental data for a set of 183 Pt(II) complexes which NMR sign ranges from -1000 to -6000 ppm. Furthermore, the models were validated using a new set of 75 Pt(II) complexes, not included in the descriptive set. The models were constructed using non-relativistic Hamiltonian at density functional theory (DFT-PBEPBE) level with NMR-DKH basis set for all atoms. For the best model, the mean absolute deviation (MAD) and the mean relative deviation (MRD) were 150 ppm and 6%, respectively, for the validation set (75 Pt-complexes) and 168 ppm (MAD) and 5% (MRD) for all 258 Pt(II) complexes. These results were comparable with relativistic DFT calculation, 200 ppm (MAD) and 6% (MRD). © 2016 Wiley Periodicals, Inc. PMID:27510431

  2. Predicting Pt-195 NMR chemical shift using new relativistic all-electron basis set.

    PubMed

    Paschoal, D; Guerra, C Fonseca; de Oliveira, M A L; Ramalho, T C; Dos Santos, H F

    2016-10-01

    Predicting NMR properties is a valuable tool to assist the experimentalists in the characterization of molecular structure. For heavy metals, such as Pt-195, only a few computational protocols are available. In the present contribution, all-electron Gaussian basis sets, suitable to calculate the Pt-195 NMR chemical shift, are presented for Pt and all elements commonly found as Pt-ligands. The new basis sets identified as NMR-DKH were partially contracted as a triple-zeta doubly polarized scheme with all coefficients obtained from a Douglas-Kroll-Hess (DKH) second-order scalar relativistic calculation. The Pt-195 chemical shift was predicted through empirical models fitted to reproduce experimental data for a set of 183 Pt(II) complexes which NMR sign ranges from -1000 to -6000 ppm. Furthermore, the models were validated using a new set of 75 Pt(II) complexes, not included in the descriptive set. The models were constructed using non-relativistic Hamiltonian at density functional theory (DFT-PBEPBE) level with NMR-DKH basis set for all atoms. For the best model, the mean absolute deviation (MAD) and the mean relative deviation (MRD) were 150 ppm and 6%, respectively, for the validation set (75 Pt-complexes) and 168 ppm (MAD) and 5% (MRD) for all 258 Pt(II) complexes. These results were comparable with relativistic DFT calculation, 200 ppm (MAD) and 6% (MRD). © 2016 Wiley Periodicals, Inc.

  3. Norm-conserving pseudopotentials with chemical accuracy compared to all-electron calculations

    NASA Astrophysics Data System (ADS)

    Willand, Alex; Kvashnin, Yaroslav O.; Genovese, Luigi; Vázquez-Mayagoitia, Álvaro; Deb, Arpan Krishna; Sadeghi, Ali; Deutsch, Thierry; Goedecker, Stefan

    2013-03-01

    By adding a nonlinear core correction to the well established dual space Gaussian type pseudopotentials for the chemical elements up to the third period, we construct improved pseudopotentials for the Perdew-Burke-Ernzerhof [J. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996), 10.1103/PhysRevLett.77.3865] functional and demonstrate that they exhibit excellent accuracy. Our benchmarks for the G2-1 test set show average atomization energy errors of only half a kcal/mol. The pseudopotentials also remain highly reliable for high pressure phases of crystalline solids. When supplemented by empirical dispersion corrections [S. Grimme, J. Comput. Chem. 27, 1787 (2006), 10.1002/jcc.20495; S. Grimme, J. Antony, S. Ehrlich, and H. Krieg, J. Chem. Phys. 132, 154104 (2010), 10.1063/1.3382344] the average error in the interaction energy between molecules is also about half a kcal/mol. The accuracy that can be obtained by these pseudopotentials in combination with a systematic basis set is well superior to the accuracy that can be obtained by commonly used medium size Gaussian basis sets in all-electron calculations.

  4. A wavelet-based Projector Augmented-Wave (PAW) method: Reaching frozen-core all-electron precision with a systematic, adaptive and localized wavelet basis set

    NASA Astrophysics Data System (ADS)

    Rangel, T.; Caliste, D.; Genovese, L.; Torrent, M.

    2016-11-01

    We present a Projector Augmented-Wave (PAW) method based on a wavelet basis set. We implemented our wavelet-PAW method as a PAW library in the ABINIT package [http://www.abinit.org] and into BigDFT [http://www.bigdft.org]. We test our implementation in prototypical systems to illustrate the potential usage of our code. By using the wavelet-PAW method, we can simulate charged and special boundary condition systems with frozen-core all-electron precision. Furthermore, our work paves the way to large-scale and potentially order- N simulations within a PAW method.

  5. Will C3 crops enhanced with the C4 CO2-concentrating mechanism live up to their full potential (yield)?

    PubMed

    Driever, Steven M; Kromdijk, Johannes

    2013-10-01

    Sustainably feeding the world's growing population in future is a great challenge and can be achieved only by increasing yield per unit land surface. Efficiency of light interception and biomass partitioning into harvestable parts (harvest index) has been improved substantially via plant breeding in modern crops. The conversion efficiency of intercepted light into biomass still holds promise for yield increase. This conversion efficiency is to a great extent constrained by the metabolic capacity of photosynthesis, defined by the characteristics of its components. Genetic manipulations are increasingly applied to lift these constraints, by improving CO2 or substrate availability for the photosynthetic carbon reduction cycle. Although these manipulations can lead to improved potential growth rates, this increase might be offset by a decrease in performance under stress conditions. In this review, we assess possible positive or negative effects of the introduction of a CO2-concentrating mechanism in C3 crop species on crop potential productivity and yield robustness.

  6. Optical properties of alkali halide crystals from all-electron hybrid TD-DFT calculations

    SciTech Connect

    Webster, R. Harrison, N. M.; Bernasconi, L.

    2015-06-07

    We present a study of the electronic and optical properties of a series of alkali halide crystals AX, with A = Li, Na, K, Rb and X = F, Cl, Br based on a recent implementation of hybrid-exchange time-dependent density functional theory (TD-DFT) (TD-B3LYP) in the all-electron Gaussian basis set code CRYSTAL. We examine, in particular, the impact of basis set size and quality on the prediction of the optical gap and exciton binding energy. The formation of bound excitons by photoexcitation is observed in all the studied systems and this is shown to be correlated to specific features of the Hartree-Fock exchange component of the TD-DFT response kernel. All computed optical gaps and exciton binding energies are however markedly below estimated experimental and, where available, 2-particle Green’s function (GW-Bethe-Salpeter equation, GW-BSE) values. We attribute this reduced exciton binding to the incorrect asymptotics of the B3LYP exchange correlation ground state functional and of the TD-B3LYP response kernel, which lead to a large underestimation of the Coulomb interaction between the excited electron and hole wavefunctions. Considering LiF as an example, we correlate the asymptotic behaviour of the TD-B3LYP kernel to the fraction of Fock exchange admixed in the ground state functional c{sub HF} and show that there exists one value of c{sub HF} (∼0.32) that reproduces at least semi-quantitatively the optical gap of this material.

  7. Optical properties of alkali halide crystals from all-electron hybrid TD-DFT calculations

    NASA Astrophysics Data System (ADS)

    Webster, R.; Bernasconi, L.; Harrison, N. M.

    2015-06-01

    We present a study of the electronic and optical properties of a series of alkali halide crystals AX, with A = Li, Na, K, Rb and X = F, Cl, Br based on a recent implementation of hybrid-exchange time-dependent density functional theory (TD-DFT) (TD-B3LYP) in the all-electron Gaussian basis set code CRYSTAL. We examine, in particular, the impact of basis set size and quality on the prediction of the optical gap and exciton binding energy. The formation of bound excitons by photoexcitation is observed in all the studied systems and this is shown to be correlated to specific features of the Hartree-Fock exchange component of the TD-DFT response kernel. All computed optical gaps and exciton binding energies are however markedly below estimated experimental and, where available, 2-particle Green's function (GW-Bethe-Salpeter equation, GW-BSE) values. We attribute this reduced exciton binding to the incorrect asymptotics of the B3LYP exchange correlation ground state functional and of the TD-B3LYP response kernel, which lead to a large underestimation of the Coulomb interaction between the excited electron and hole wavefunctions. Considering LiF as an example, we correlate the asymptotic behaviour of the TD-B3LYP kernel to the fraction of Fock exchange admixed in the ground state functional cHF and show that there exists one value of cHF (˜0.32) that reproduces at least semi-quantitatively the optical gap of this material.

  8. Full-Thickness Excision versus Shaving by Laparoscopy for Intestinal Deep Infiltrating Endometriosis: Rationale and Potential Treatment Options

    PubMed Central

    Trovato, Maria Antonietta; Palmara, Vittorio Italo; Rapisarda, Agnese Maria Chiara; Sturlese, Emanuele; De Dominici, Rosanna; Alecci, Stefano; D'Amico, Paolo; Triolo, Onofrio

    2016-01-01

    Endometriosis is defined as the presence of endometrial mucosa (glands and stroma) abnormally implanted in locations other than the uterine cavity. Deep infiltrating endometriosis (DIE) is considered the most aggressive presentation of the disease, penetrating more than 5 mm in affected tissues, and it is reported in approximately 20% of all women with endometriosis. DIE can cause a complete distortion of the pelvic anatomy and it mainly involves uterosacral ligaments, bladder, rectovaginal septum, rectum, and rectosigmoid colon. This review describes the state of the art in laparoscopic approach for DIE with a special interest in intestinal involvement, according to recent literature findings. Our attention has been focused particularly on full-thickness excision versus shaving technique in deep endometriosis intestinal involvement. Particularly, the aim of this paper is clarifying from the clinical and methodological points of view the best surgical treatment of deep intestinal endometriosis, since there is no standard of care in the literature and in different surgical settings. Indeed, this review tries to suggest when it is advisable to manage the full-thickness excision or the shaving technique, also analyzing perioperative management, main complications, and surgical outcomes. PMID:27579309

  9. Full-Thickness Excision versus Shaving by Laparoscopy for Intestinal Deep Infiltrating Endometriosis: Rationale and Potential Treatment Options.

    PubMed

    Laganà, Antonio Simone; Vitale, Salvatore Giovanni; Trovato, Maria Antonietta; Palmara, Vittorio Italo; Rapisarda, Agnese Maria Chiara; Granese, Roberta; Sturlese, Emanuele; De Dominici, Rosanna; Alecci, Stefano; Padula, Francesco; Chiofalo, Benito; Grasso, Roberta; Cignini, Pietro; D'Amico, Paolo; Triolo, Onofrio

    2016-01-01

    Endometriosis is defined as the presence of endometrial mucosa (glands and stroma) abnormally implanted in locations other than the uterine cavity. Deep infiltrating endometriosis (DIE) is considered the most aggressive presentation of the disease, penetrating more than 5 mm in affected tissues, and it is reported in approximately 20% of all women with endometriosis. DIE can cause a complete distortion of the pelvic anatomy and it mainly involves uterosacral ligaments, bladder, rectovaginal septum, rectum, and rectosigmoid colon. This review describes the state of the art in laparoscopic approach for DIE with a special interest in intestinal involvement, according to recent literature findings. Our attention has been focused particularly on full-thickness excision versus shaving technique in deep endometriosis intestinal involvement. Particularly, the aim of this paper is clarifying from the clinical and methodological points of view the best surgical treatment of deep intestinal endometriosis, since there is no standard of care in the literature and in different surgical settings. Indeed, this review tries to suggest when it is advisable to manage the full-thickness excision or the shaving technique, also analyzing perioperative management, main complications, and surgical outcomes. PMID:27579309

  10. Full-length sequence analysis of hepatitis E virus isolates: showing potential determinants of virus genotype and identity.

    PubMed

    Yang, Dong; Jiang, Mei; Jin, Min; Qiu, Zhigang; Cui, Weihong; Shen, Zhiqiang; Li, Bo; Gong, Lianfeng; Chen, Zhaoli; Wang, Xinwei; Li, Jun-Wen

    2013-12-01

    The complete genome sequence of a genotype 4 strain of hepatitis E virus (CH-YT-HEV02) from a patient (in Yantai, China) has been determined. Phylogenetic analysis showed that CH-YT-HEV02 belongs to genotype 4, subtype 4a. However, the phylogenetic analysis indicated that it was most closely related to JKO-CHiSai98C (AB197673) strain, sharing only 91.6% sequence identity with it. Judging from the phylogenetic tree based on the full-length nucleotide sequences of all 70 genotype 4 HEV isolates retrieved from GenBank up to May, 2013, the CH-YT-HEV02 isolates could serve as a Yantai-indigenous strain. A broader comparison with other genotype isolates revealed that there are a few conserved amino acids in the HVR region of different HEV genotypes, and two amino acid motifs in ORF2 and ORF3 might serve as signatures of genotype diversity of HEV.

  11. Toward Accurate Modelling of Enzymatic Reactions: All Electron Quantum Chemical Analysis combined with QM/MM Calculation of Chorismate Mutase

    SciTech Connect

    Ishida, Toyokazu

    2008-09-17

    To further understand the catalytic role of the protein environment in the enzymatic process, the author has analyzed the reaction mechanism of the Claisen rearrangement of Bacillus subtilis chorismate mutase (BsCM). By introducing a new computational strategy that combines all-electron QM calculations with ab initio QM/MM modelings, it was possible to simulate the molecular interactions between the substrate and the protein environment. The electrostatic nature of the transition state stabilization was characterized by performing all-electron QM calculations based on the fragment molecular orbital technique for the entire enzyme.

  12. 31 CFR 370.35 - Does the Bureau of the Public Debt accept all electronically signed transaction requests?

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false Does the Bureau of the Public Debt accept all electronically signed transaction requests? 370.35 Section 370.35 Money and Finance: Treasury Regulations Relating to Money and Finance (Continued) FISCAL SERVICE, DEPARTMENT OF THE TREASURY BUREAU OF...

  13. All-electron topological insulator in InAs double wells

    NASA Astrophysics Data System (ADS)

    Erlingsson, Sigurdur I.; Egues, J. Carlos

    2015-01-01

    We show that electrons in ordinary III-V semiconductor double wells with an in-plane modulating periodic potential and interwell spin-orbit interaction are tunable topological insulators (TIs). Here the essential TI ingredients, namely, band inversion and the opening of an overall bulk gap in the spectrum arise, respectively, from (i) the combined effect of the double-well even-odd state splitting ΔSAS together with the superlattice potential and (ii) the interband Rashba spin-orbit coupling η . We corroborate our exact diagonalization results with an analytical nearly-free-electron description that allows us to derive an effective Bernevig-Hughes-Zhang model. Interestingly, the gate-tunable mass gap M drives a topological phase transition featuring a discontinuous Chern number at ΔSAS˜5.4 meV . Finally, we explicitly verify the bulk-edge correspondence by considering a strip configuration and determining not only the bulk bands in the nontopological and topological phases but also the edge states and their Dirac-like spectrum in the topological phase. The edge electronic densities exhibit peculiar spatial oscillations as they decay away into the bulk. For concreteness, we present our results for InAs-based wells with realistic parameters.

  14. All-electron molecular Dirac-Hartree-Fock calculations: Properties of the group IV monoxides GeO, SnO and PbO

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.

    1991-01-01

    Dirac-Hartree-Fock calculations have been carried out on the ground states of the group IV monoxides GeO, SnO and PbO. Geometries, dipole moments and infrared data are presented. For comparison, nonrelativistic, first-order perturbation and relativistic effective core potential calculations have also been carried out. Where appropriate the results are compared with the experimental data and previous calculations. Spin-orbit effects are of great importance for PbO, where first-order perturbation theory including only the mass-velocity and Darwin terms is inadequate to predict the relativistic corrections to the properties. The relativistic effective core potential results show a larger deviation from the all-electron values than for the hydrides, and confirm the conclusions drawn on the basis of the hydride calculations.

  15. How localized is ``local?'' Efficiency vs. accuracy of O(N) domain decomposition in local orbital based all-electron electronic structure theory

    NASA Astrophysics Data System (ADS)

    Havu, Vile; Blum, Volker; Scheffler, Matthias

    2007-03-01

    Numeric atom-centered local orbitals (NAO) are efficient basis sets for all-electron electronic structure theory. The locality of NAO's can be exploited to render (in principle) all operations of the self-consistency cycle O(N). This is straightforward for 3D integrals using domain decomposition into spatially close subsets of integration points, enabling critical computational savings that are effective from ˜tens of atoms (no significant overhead for smaller systems) and make large systems (100s of atoms) computationally feasible. Using a new all-electron NAO-based code,^1 we investigate the quantitative impact of exploiting this locality on two distinct classes of systems: Large light-element molecules [Alanine-based polypeptide chains (Ala)n], and compact transition metal clusters. Strict NAO locality is achieved by imposing a cutoff potential with an onset radius rc, and exploited by appropriately shaped integration domains (subsets of integration points). Conventional tight rc<= 3å have no measurable accuracy impact in (Ala)n, but introduce inaccuracies of 20-30 meV/atom in Cun. The domain shape impacts the computational effort by only 10-20 % for reasonable rc. ^1 V. Blum, R. Gehrke, P. Havu, V. Havu, M. Scheffler, The FHI Ab Initio Molecular Simulations (aims) Project, Fritz-Haber-Institut, Berlin (2006).

  16. TranAir: A full-potential, solution-adaptive, rectangular grid code for predicting subsonic, transonic, and supersonic flows about arbitrary configurations. User's manual

    NASA Technical Reports Server (NTRS)

    Johnson, F. T.; Samant, S. S.; Bieterman, M. B.; Melvin, R. G.; Young, D. P.; Bussoletti, J. E.; Hilmes, C. L.

    1992-01-01

    The TranAir computer program calculates transonic flow about arbitrary configurations at subsonic, transonic, and supersonic freestream Mach numbers. TranAir solves the nonlinear full potential equations subject to a variety of boundary conditions modeling wakes, inlets, exhausts, porous walls, and impermeable surfaces. Regions with different total temperature and pressure can be represented. The user's manual describes how to run the TranAir program and its graphical support programs.

  17. 4-Component correlated all-electron study on Eka-actinium Fluoride (E121F) including Gaunt interaction: Accurate analytical form, bonding and influence on rovibrational spectra

    NASA Astrophysics Data System (ADS)

    Amador, Davi H. T.; de Oliveira, Heibbe C. B.; Sambrano, Julio R.; Gargano, Ricardo; de Macedo, Luiz Guilherme M.

    2016-10-01

    A prolapse-free basis set for Eka-Actinium (E121, Z = 121), numerical atomic calculations on E121, spectroscopic constants and accurate analytical form for the potential energy curve of diatomic E121F obtained at 4-component all-electron CCSD(T) level including Gaunt interaction are presented. The results show a strong and polarized bond (≈181 kcal/mol in strength) between E121 and F, the outermost frontier molecular orbitals from E121F should be fairly similar to the ones from AcF and there is no evidence of break of periodic trends. Moreover, the Gaunt interaction, although small, is expected to influence considerably the overall rovibrational spectra.

  18. Full-scale in-line hydrolysis and simulation for potential energy and resource savings in activated sludge--a case study.

    PubMed

    Hey, Tobias; Jönsson, Karin; Jansen, Jes la Cour

    2012-01-01

    The potential effects of altering primary settlers during biological in-line hydrolysis and converting a nitrifying activated sludge process into a partial pre-denitrification process for the purpose of resource conservation were evaluated. A full-scale primary sludge hydrolysis experiment was performed at a wastewater treatment plant and implemented in a dynamic modelling tool based on ASM2d. The full-scale hydrolysis experiment achieved a volatile fatty acid (VFA) production of 43 g COD(HAc) x m(-3) with no release of ammonium. Additional nitrogen removal of 44 t N x a(-1) was simulated, and the produced hydrolysate was able to replace 50% of the annual ethanol usage. Furthermore, 196 MWh of electricity per annum could be saved through the reduction of ethanol production and the optimization of the operation strategy of the activated sludge tank by operating a different number of anoxic zones.

  19. All-electron double zeta basis sets for the lanthanides: Application in atomic and molecular property calculations

    NASA Astrophysics Data System (ADS)

    Jorge, F. E.; Martins, L. S. C.; Franco, M. L.

    2016-01-01

    Segmented all-electron basis sets of valence double zeta quality plus polarization functions (DZP) for the elements from Ce to Lu are generated to be used with the non-relativistic and Douglas-Kroll-Hess (DKH) Hamiltonians. At the B3LYP level, the DZP-DKH atomic ionization energies and equilibrium bond lengths and atomization energies of the lanthanide trifluorides are evaluated and compared with benchmark theoretical and experimental data reported in the literature. In general, this compact size set shows to have a regular, efficient, and reliable performance. It can be particularly useful in molecular property calculations that require explicit treatment of the core electrons.

  20. Full-dimensional quantum calculations of ground-state tunneling splitting of malonaldehyde using an accurate ab initio potential energy surface.

    PubMed

    Wang, Yimin; Braams, Bastiaan J; Bowman, Joel M; Carter, Stuart; Tew, David P

    2008-06-14

    Quantum calculations of the ground vibrational state tunneling splitting of H-atom and D-atom transfer in malonaldehyde are performed on a full-dimensional ab initio potential energy surface (PES). The PES is a fit to 11 147 near basis-set-limit frozen-core CCSD(T) electronic energies. This surface properly describes the invariance of the potential with respect to all permutations of identical atoms. The saddle-point barrier for the H-atom transfer on the PES is 4.1 kcalmol, in excellent agreement with the reported ab initio value. Model one-dimensional and "exact" full-dimensional calculations of the splitting for H- and D-atom transfer are done using this PES. The tunneling splittings in full dimensionality are calculated using the unbiased "fixed-node" diffusion Monte Carlo (DMC) method in Cartesian and saddle-point normal coordinates. The ground-state tunneling splitting is found to be 21.6 cm(-1) in Cartesian coordinates and 22.6 cm(-1) in normal coordinates, with an uncertainty of 2-3 cm(-1). This splitting is also calculated based on a model which makes use of the exact single-well zero-point energy (ZPE) obtained with the MULTIMODE code and DMC ZPE and this calculation gives a tunneling splitting of 21-22 cm(-1). The corresponding computed splittings for the D-atom transfer are 3.0, 3.1, and 2-3 cm(-1). These calculated tunneling splittings agree with each other to within less than the standard uncertainties obtained with the DMC method used, which are between 2 and 3 cm(-1), and agree well with the experimental values of 21.6 and 2.9 cm(-1) for the H and D transfer, respectively.

  1. Rotational excitations in para-H2+para-H2 collisions: Full- and reduced-dimensional quantum wave packet studies comparing different potential energy surfaces

    NASA Astrophysics Data System (ADS)

    Otto, Frank; Gatti, Fabien; Meyer, Hans-Dieter

    2008-02-01

    We study the process of rotational excitation in the collisions of para-H2 with para-H2 by propagating wave packets with the multiconfiguration time-dependent Hartree (MCTDH) algorithm. Transition probabilities are then calculated by the method of Tannor and Weeks based on time-correlation functions. Calculations were carried out up to a total angular momentum of J =70 to compute integral cross sections up to 1.2eV in collision energy and thermal rate coefficients from 100to3000K. The process is studied on the full-dimensional potential energy surface of Boothroyd-Martin-Keogh-Peterson (BMKP) as well as on the rigid rotor surface of Diep and Johnson. We test the validity of the rigid rotor approximation by also considering two rigid rotor restrictions of the BMKP potential energy surface (PES). Additionally, we investigate a variant of the BMKP PES suggested by Pogrebnya and Clary [Chem. Phys. Lett. 363, 523 (2002)] with reduced anisotropy. We compare our results with previous theoretical data for the cross sections and with experimental data for the rate coefficients at low temperatures.

  2. Mode specificity in the OH + CHD3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface.

    PubMed

    Song, Hongwei; Lu, Yunpeng; Li, Jun; Yang, Minghui; Guo, Hua

    2016-04-28

    An initial state selected time-dependent wave packet method is applied to study the dynamics of the OH + CHD3 reaction with a six-dimensional model on a newly developed full-dimensional ab initio potential energy surface (PES). This quantum dynamical (QD) study is complemented by full-dimensional quasi-classical trajectory (QCT) calculations on the same PES. The QD results indicate that both translational energy and the excitation of the CH stretching mode significantly promote the reaction while the excitation of the umbrella mode has a negligible effect on the reactivity. For this early barrier reaction, interestingly, the CH stretching mode is more effective than translational energy in promoting the reaction except at very low collision energies. These QD observations are supported by QCT results. The higher efficacy of the CH stretching model in promoting this early barrier reaction is inconsistent with the prediction of the naively extended Polanyi's rules, but can be rationalized by the recently proposed sudden vector projection model.

  3. The Origins of - and Inter-Molecular Vibrational Couplings: a Case Study of H_2O-Ar on Full and Reduced-Dimensional Potential Energy Surface

    NASA Astrophysics Data System (ADS)

    Hou, Dan; Ma, Yong-Tao; Zhang, Xiao-Long; Li, Hui

    2016-06-01

    The origin and strength of intra- and inter-molecular vibrational coupling is difficult to probe by direct experimental observations. However, explicitly including or not including some specific intramolecular vibrational modes to study intermolecular interaction provides a precise theoretical way to examine the effects of anharmonic coupling between modes. In this work, a full-dimension intra- and inter-molecular ab initio potential energy surface (PES) for H_2O-Ar, which explicitly incorporates interdependence on the intramolecular normal-mode coordinates of the H_2O monomer, has been calculated. In addition, four analytic vibrational-quantum-state-specific PESs are obtained by least-squares fitting vibrationally averaged interaction energies for the (νb{1},νb{2},νb{3})=(0,0,0),(0,0,1),(1,0,0),(0,1,0) states of H_2O to the three-dimensional Morse/long-range potential function. The resulting vibrationally averaged PESs provide good representations of the experimental infrared data, with RMS discrepancies smaller than 0.02 wn for all three rotational branches of the asymmetric stretch fundamental transitions. The infrared band origin shifts associated with three fundamental bands of H_2O in H_2O-Ar complex are predicted for the first time and are found to be in good agreement with the (extrapolated) experimental values. Upon introduction of additional intramolecular degrees of freedom into the intermolecular potential energy surface, there is clear spectroscopic evidence of intra- and intermolecular vibrational couplings. J. Chem. Phys., 144, 014301 (2016)

  4. All-electron first-principles GW+Bethe-Salpeter calculation for optical absorption spectra of sodium clusters

    SciTech Connect

    Noguchi, Yoshifumi; Ohno, Kaoru

    2010-04-15

    The optical absorption spectra of sodium clusters (Na{sub 2n}, n{<=} 4) are calculated by using an all-electron first-principles GW+Bethe-Salpeter method with the mixed-basis approach within the Tamm-Dancoff approximation. In these small systems, the excitonic effect strongly affects the optical properties due to the confinement of exciton in the small system size. The present state-of-the-art method treats the electron-hole two-particle Green's function by incorporating the ladder diagrams up to the infinite order and therefore takes into account the excitonic effect in a good approximation. We check the accuracy of the present method by comparing the resulting spectra with experiments. In addition, the effect of delocalization in particular in the lowest unoccupied molecular orbital in the GW quasiparticle wave function is also discussed by rediagonalizing the Dyson equation.

  5. All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals

    NASA Astrophysics Data System (ADS)

    Knuth, Franz; Carbogno, Christian; Atalla, Viktor; Blum, Volker; Scheffler, Matthias

    2015-05-01

    We derive and implement the strain derivatives of the total energy of solids, i.e., the analytic stress tensor components, in an all-electron, numeric atom-centered orbital based density-functional formalism. We account for contributions that arise in the semi-local approximation (LDA/GGA) as well as in the generalized Kohn-Sham case, in which a fraction of exact exchange (hybrid functionals) is included. In this work, we discuss the details of the implementation including the numerical corrections for sparse integrations grids which allow to produce accurate results. We validate the implementation for a variety of test cases by comparing to strain derivatives performed via finite differences. Additionally, we include the detailed definition of the overlapping atom-centered integration formalism used in this work to obtain total energies and their derivatives.

  6. All-electron segmented contraction basis sets of triple zeta valence quality for the fifth-row elements

    NASA Astrophysics Data System (ADS)

    Martins, L. S. C.; Jorge, F. E.; Machado, S. F.

    2015-11-01

    All-electron contracted Gaussian basis set of triple zeta valence quality plus polarisation functions (TZP) for the elements Cs, Ba, La, and from Hf to Rn is presented. Douglas-Kroll-Hess (DKH) basis set for fifth-row elements is also reported. We have recontracted the original TZP basis set, i.e., the values of the contraction coefficients are re-optimised using the second-order DKH Hamiltonian. By addition of diffuse functions (s, p, d, f, and g symmetries), which are optimised for the anion ground states, an augmented TZP basis set is constructed. Using the B3LYP hybrid functional, the performance of the TZP-DKH basis set is assessed for predicting atomic ionisation energy as well as spectroscopy constants of some compounds. Despite its compact size, this set demonstrates consistent, efficient, and reliable performance and will be especially useful in calculations of molecular properties that require explicit treatment of the core electrons.

  7. Electrostatic potential and Born energy of charged molecules interacting with phospholipid membranes: calculation via 3-D numerical solution of the full Poisson equation.

    PubMed

    Schnitzer, J E; Lambrakis, K C

    1991-09-21

    Understanding the physicochemical basis of the interaction of molecules with lipid bilayers is fundamental to membrane biology. In this study, a new, three-dimensional numerical solution of the full Poisson equation including local dielectric variation is developed using finite difference techniques in order to model electrostatic interactions of charged molecules with a non-uniform dielectric. This solution is used to describe the electric field and electrostatic potential profile of a charged molecule interacting with a phospholipid bilayer in a manner consistent with the known composition and structure of the membrane. Furthermore, the Born interaction energy is then calculated by appropriate integration of the electric field over whole space. Numerical computations indicate that the electrostatic potential profile surrounding a charge molecule and its resultant Born interaction energy are a function of molecular position within the membrane and change most significantly within the polar region of the bilayer. The maximum interaction energy is observed when the charge is placed at the center of the hydrophobic core of the membrane and is strongly dependent on the size of the charge and on the thickness of the hydrocarbon core of the bilayer. The numerical results of this continuum model are compared with various analytical approximations for the Born energy including models established for discontinuous slab dielectrics. The calculated energies agree with the well-known Born analytical expression only when the charge is located near the center of a hydrocarbon core of greater than 60 A in thickness. The Born-image model shows excellent agreement with the numerical results only when modified to include an appropriate effective thickness of the low dielectric region. In addition, a newly derived approximation which considers the local mean dielectric provides a simple and continuous solution that also agrees well with the numerical results.

  8. The origins of intra- and inter-molecular vibrational couplings: A case study of H2O-Ar on full and reduced-dimensional potential energy surface.

    PubMed

    Hou, Dan; Ma, Yong-Tao; Zhang, Xiao-Long; Li, Hui

    2016-01-01

    The origin and strength of intra- and inter-molecular vibrational coupling is difficult to probe by direct experimental observations. However, explicitly including or not including some specific intramolecular vibrational modes to study intermolecular interaction provides a precise theoretical way to examine the effects of anharmonic coupling between modes. In this work, a full-dimension intra- and inter-molecular ab initio potential energy surface (PES) for H2O-Ar, which explicitly incorporates interdependence on the intramolecular (Q1,  Q2,  Q3) normal-mode coordinates of the H2O monomer, has been calculated. In addition, four analytic vibrational-quantum-state-specific PESs are obtained by least-squares fitting vibrationally averaged interaction energies for the (v1,  v2,  v3) =  (0,  0,  0), (0,  0,  1), (1,  0,  0), (0,  1,  0) states of H2O to the three-dimensional Morse/long-range potential function. Each vibrationally averaged PES fitted to 442 points has root-mean-square (rms) deviation smaller than 0.15 cm(-1), and required only 58 parameters. With the 3D PESs of H2O-Ar dimer system, we employed the combined radial discrete variable representation/angular finite basis representation method and Lanczos algorithm to calculate rovibrational energy levels. This showed that the resulting vibrationally averaged PESs provide good representations of the experimental infrared data, with rms discrepancies smaller than 0.02 cm(-1) for all three rotational branches of the asymmetric stretch fundamental transitions. The infrared band origin shifts associated with three fundamental bands of H2O in H2O-Ar complex are predicted for the first time and are found to be in good agreement with the (extrapolated) experimental values. Upon introduction of additional intramolecular degrees of freedom into the intermolecular potential energy surface, there is clear spectroscopic evidence of intra- and intermolecular vibrational couplings.

  9. TranAir: A full-potential, solution-adaptive, rectangular grid code for predicting subsonic, transonic, and supersonic flows about arbitrary configurations. Theory document

    NASA Technical Reports Server (NTRS)

    Johnson, F. T.; Samant, S. S.; Bieterman, M. B.; Melvin, R. G.; Young, D. P.; Bussoletti, J. E.; Hilmes, C. L.

    1992-01-01

    A new computer program, called TranAir, for analyzing complex configurations in transonic flow (with subsonic or supersonic freestream) was developed. This program provides accurate and efficient simulations of nonlinear aerodynamic flows about arbitrary geometries with the ease and flexibility of a typical panel method program. The numerical method implemented in TranAir is described. The method solves the full potential equation subject to a set of general boundary conditions and can handle regions with differing total pressure and temperature. The boundary value problem is discretized using the finite element method on a locally refined rectangular grid. The grid is automatically constructed by the code and is superimposed on the boundary described by networks of panels; thus no surface fitted grid generation is required. The nonlinear discrete system arising from the finite element method is solved using a preconditioned Krylov subspace method embedded in an inexact Newton method. The solution is obtained on a sequence of successively refined grids which are either constructed adaptively based on estimated solution errors or are predetermined based on user inputs. Many results obtained by using TranAir to analyze aerodynamic configurations are presented.

  10. Full-dimensional quantum dynamics study of the H2 + C2H → H + C2H2 reaction on an ab initio potential energy surface.

    PubMed

    Chen, Liuyang; Shao, Kejie; Chen, Jun; Yang, Minghui; Zhang, Dong H

    2016-05-21

    This work performs a time-dependent wavepacket study of the H2 + C2H → H + C2H2 reaction on a new ab initio potential energy surface (PES). The PES is constructed using neural network method based on 68 478 geometries with energies calculated at UCCSD(T)-F12a/aug-cc-pVTZ level and covers H2 + C2H↔H + C2H2, H + C2H2 → HCCH2, and HCCH2 radial isomerization reaction regions. The reaction dynamics of H2 + C2H → H + C2H2 are investigated using full-dimensional quantum dynamics method. The initial-state selected reaction probabilities are calculated for reactants in eight vibrational states. The calculated results showed that the H2 vibrational excitation predominantly enhances the reactivity while the excitation of bending mode of C2H slightly inhibits the reaction. The excitations of two stretching modes of C2H molecule have negligible effect on the reactivity. The integral cross section is calculated with J-shift approximation and the mode selectivity in this reaction is discussed. The rate constants over 200-2000 K are calculated and agree well with the experimental measured values.

  11. Mulliken Population Analysis of X-ray Magnetic Circular Dichroism in Uranium Monochalcogenides: Examination of Sum Rules by Fully Relativistic Full-Potential LCAO Method

    NASA Astrophysics Data System (ADS)

    Suzuki, Shugo; Ariizumi, Toshihiro; Li, Ming-Fang

    2009-07-01

    We study the X-ray magnetic circular dichroism (XMCD) spectra at the U M4,5 and N4,5 edges of uranium monochalcogenides, UX where X=S, Se, and Te, examining the applicability of the XMCD sum rules to UX by the fully relativistic full-potential linear-combination-of-atomic-orbitals (LCAO) method based on the density functional theory. To extract the transitions relevant to the sum-rule analysis, we employ the Mulliken population analysis (MPA). Using the MPA, the orbital sum rule is found to be valid to 10-20% for the M4,5 edges and valid to 5-15% for the N4,5 edges. On the other hand, the spin sum rule is found to be valid to 10-20% for the M4,5 edges whereas valid to 30-35% for the N4,5 edges. Furthermore, it is found that the calculated XMCD spectra are consistent with a recent experimental observation that the intensity of the N4,5 XMCD signal is comparable to that of the M4,5 XMCD signal although contradicting a previous theoretical prediction that the XMCD intensity at the N4,5 edges is one order of magnitude smaller than that at the M4,5 edges.

  12. The Bacterial Communities of Full-Scale Biologically Active, Granular Activated Carbon Filters Are Stable and Diverse and Potentially Contain Novel Ammonia-Oxidizing Microorganisms.

    PubMed

    LaPara, Timothy M; Hope Wilkinson, Katheryn; Strait, Jacqueline M; Hozalski, Raymond M; Sadowksy, Michael J; Hamilton, Matthew J

    2015-10-01

    The bacterial community composition of the full-scale biologically active, granular activated carbon (BAC) filters operated at the St. Paul Regional Water Services (SPRWS) was investigated using Illumina MiSeq analysis of PCR-amplified 16S rRNA gene fragments. These bacterial communities were consistently diverse (Shannon index, >4.4; richness estimates, >1,500 unique operational taxonomic units [OTUs]) throughout the duration of the 12-month study period. In addition, only modest shifts in the quantities of individual bacterial populations were observed; of the 15 most prominent OTUs, the most highly variable population (a Variovorax sp.) modulated less than 13-fold over time and less than 8-fold from filter to filter. The most prominent population in the profiles was a Nitrospira sp., representing 13 to 21% of the community. Interestingly, very few of the known ammonia-oxidizing bacteria (AOB; <0.07%) and no ammonia-oxidizing Archaea were detected in the profiles. Quantitative PCR of amoA genes, however, suggested that AOB were prominent in the bacterial communities (amoA/16S rRNA gene ratio, 1 to 10%). We conclude, therefore, that the BAC filters at the SPRWS potentially contained significant numbers of unidentified and novel ammonia-oxidizing microorganisms that possess amoA genes similar to those of previously described AOB. PMID:26209671

  13. The Bacterial Communities of Full-Scale Biologically Active, Granular Activated Carbon Filters Are Stable and Diverse and Potentially Contain Novel Ammonia-Oxidizing Microorganisms

    PubMed Central

    Hope Wilkinson, Katheryn; Strait, Jacqueline M.; Hozalski, Raymond M.; Sadowksy, Michael J.; Hamilton, Matthew J.

    2015-01-01

    The bacterial community composition of the full-scale biologically active, granular activated carbon (BAC) filters operated at the St. Paul Regional Water Services (SPRWS) was investigated using Illumina MiSeq analysis of PCR-amplified 16S rRNA gene fragments. These bacterial communities were consistently diverse (Shannon index, >4.4; richness estimates, >1,500 unique operational taxonomic units [OTUs]) throughout the duration of the 12-month study period. In addition, only modest shifts in the quantities of individual bacterial populations were observed; of the 15 most prominent OTUs, the most highly variable population (a Variovorax sp.) modulated less than 13-fold over time and less than 8-fold from filter to filter. The most prominent population in the profiles was a Nitrospira sp., representing 13 to 21% of the community. Interestingly, very few of the known ammonia-oxidizing bacteria (AOB; <0.07%) and no ammonia-oxidizing Archaea were detected in the profiles. Quantitative PCR of amoA genes, however, suggested that AOB were prominent in the bacterial communities (amoA/16S rRNA gene ratio, 1 to 10%). We conclude, therefore, that the BAC filters at the SPRWS potentially contained significant numbers of unidentified and novel ammonia-oxidizing microorganisms that possess amoA genes similar to those of previously described AOB. PMID:26209671

  14. The Bacterial Communities of Full-Scale Biologically Active, Granular Activated Carbon Filters Are Stable and Diverse and Potentially Contain Novel Ammonia-Oxidizing Microorganisms.

    PubMed

    LaPara, Timothy M; Hope Wilkinson, Katheryn; Strait, Jacqueline M; Hozalski, Raymond M; Sadowksy, Michael J; Hamilton, Matthew J

    2015-10-01

    The bacterial community composition of the full-scale biologically active, granular activated carbon (BAC) filters operated at the St. Paul Regional Water Services (SPRWS) was investigated using Illumina MiSeq analysis of PCR-amplified 16S rRNA gene fragments. These bacterial communities were consistently diverse (Shannon index, >4.4; richness estimates, >1,500 unique operational taxonomic units [OTUs]) throughout the duration of the 12-month study period. In addition, only modest shifts in the quantities of individual bacterial populations were observed; of the 15 most prominent OTUs, the most highly variable population (a Variovorax sp.) modulated less than 13-fold over time and less than 8-fold from filter to filter. The most prominent population in the profiles was a Nitrospira sp., representing 13 to 21% of the community. Interestingly, very few of the known ammonia-oxidizing bacteria (AOB; <0.07%) and no ammonia-oxidizing Archaea were detected in the profiles. Quantitative PCR of amoA genes, however, suggested that AOB were prominent in the bacterial communities (amoA/16S rRNA gene ratio, 1 to 10%). We conclude, therefore, that the BAC filters at the SPRWS potentially contained significant numbers of unidentified and novel ammonia-oxidizing microorganisms that possess amoA genes similar to those of previously described AOB.

  15. Occurrence, distribution, and potential influencing factors of sewage sludge components derived from nine full-scale wastewater treatment plants of Beijing, China.

    PubMed

    Wang, Xu; Li, Meiyan; Liu, Junxin; Qu, Jiuhui

    2016-07-01

    Millions of tons of waste activated sludge (WAS) produced from biological wastewater treatment processes cause severe adverse environmental consequences. A better understanding of WAS composition is thus very critical for sustainable sludge management. In this work, the occurrence and distribution of several fundamental sludge constituents were explored in WAS samples from nine full-scale wastewater treatment plants (WWTPs) of Beijing, China. Among all the components investigated, active heterotrophic biomass was dominant in the samples (up to 9478mg/L), followed by endogenous residues (6736mg/L), extracellular polymeric substances (2088mg/L), and intracellular storage products (464mg/L) among others. Moreover, significant differences (p<0.05) were observed in composition profiles of sludge samples among the studied WWTPs. To identify the potential parameters affecting the variable fractions of sludge components, wastewater source as well as design and operational parameters of WWTPs were studied using statistical methods. The findings indicated that the component fraction of sewage sludge depends more on wastewater treatment alternatives than on wastewater characteristics among other parameters. A principal component analysis was conducted, which further indicated that there was a greater proportion of residual inert biomass in the sludge produced by the combined system of the conventional anaerobic/anoxic/oxic process and a membrane bioreactor. Additionally, a much longer solids retention time was also found to influence the sludge composition and induce an increase in both endogenous inert residues and extracellular polymeric substances in the sludge.

  16. Ab initio full-potential study of mechanical properties and magnetic phase stability of californium monopnictides (CfN and CfP)

    NASA Astrophysics Data System (ADS)

    Amari, S.; Bouhafs, B.

    2016-09-01

    Based on the first-principles methods, the structural, elastic, electronic, properties and magnetic ordering of californium monopnictides CfX (X = P) have been studied using the full-potential augmented plane wave plus local orbitals (FP-L/APW + lo) method within the framework of density functional theory (DFT). The electronic exchange correlation energy is described by generalized gradient approximation GGA and GGA+U (U is the Hubbard correction). The GGA+U method is applied to the rare-earth 5f states. We have calculated the lattice parameters, bulk modulii and the first pressure derivatives of the bulk modulii. The elastic properties of the studied compounds are only investigated in the most stable calculated phase. In order to gain further information, we have calculated Young's modulus, shear modulus, anisotropy factor and Kleinman parameter by the aid of the calculated elastic constants. The results mainly show that californium monopnictides CfX (X = P) have an antiferromagnetic spin ordering. Density of states (DOS) and charge densities for both compounds are also computed in the NaCl (B1) structure.

  17. Efficient Parallel All-Electron Four-Component Dirac-Kohn-Sham Program Using a Distributed Matrix Approach II.

    PubMed

    Storchi, Loriano; Rampino, Sergio; Belpassi, Leonardo; Tarantelli, Francesco; Quiney, Harry M

    2013-12-10

    We propose a new complete memory-distributed algorithm, which significantly improves the parallel implementation of the all-electron four-component Dirac-Kohn-Sham (DKS) module of BERTHA (J. Chem. Theory Comput. 2010, 6, 384). We devised an original procedure for mapping the DKS matrix between an efficient integral-driven distribution, guided by the structure of specific G-spinor basis sets and by density fitting algorithms, and the two-dimensional block-cyclic distribution scheme required by the ScaLAPACK library employed for the linear algebra operations. This implementation, because of the efficiency in the memory distribution, represents a leap forward in the applicability of the DKS procedure to arbitrarily large molecular systems and its porting on last-generation massively parallel systems. The performance of the code is illustrated by some test calculations on several gold clusters of increasing size. The DKS self-consistent procedure has been explicitly converged for two representative clusters, namely Au20 and Au34, for which the density of electronic states is reported and discussed. The largest gold cluster uses more than 39k basis functions and DKS matrices of the order of 23 GB. PMID:26592273

  18. All-electronic droplet generation on-chip with real-time feedback control for EWOD digital microfluidics.

    PubMed

    Gong, Jian; Kim, Chang-Jin C J

    2008-06-01

    Electrowetting-on-dielectric (EWOD) actuation enables digital (or droplet) microfluidics where small packets of liquids are manipulated on a two-dimensional surface. Due to its mechanical simplicity and low energy consumption, EWOD holds particular promise for portable systems. To improve volume precision of the droplets, which is desired for quantitative applications such as biochemical assays, existing practices would require near-perfect device fabrication and operation conditions unless the droplets are generated under feedback control by an extra pump setup off of the chip. In this paper, we develop an all-electronic (i.e., no ancillary pumping) real-time feedback control of on-chip droplet generation. A fast voltage modulation, capacitance sensing, and discrete-time PID feedback controller are integrated on the operating electronic board. A significant improvement is obtained in the droplet volume uniformity, compared with an open loop control as well as the previous feedback control employing an external pump. Furthermore, this new capability empowers users to prescribe the droplet volume even below the previously considered minimum, allowing, for example, 1 : x (x < 1) mixing, in comparison to the previously considered n : m mixing (i.e., n and m unit droplets).

  19. ALL-ELECTRONIC DROPLET GENERATION ON-CHIP WITH REAL-TIME FEEDBACK CONTROL FOR EWOD DIGITIAL MICROFLUIDICS

    PubMed Central

    Gong, Jian; Kim, Chang-Jin “CJ”

    2009-01-01

    Electrowetting-on-dielectric (EWOD) actuation enables digital (or droplet) microfluidics where small packets of liquids are manipulated on a two-dimensional surface. Due to its mechanical simplicity and low energy consumption, EWOD holds particular promise for portable systems. To improve volume precision of the droplets, which is desired for quantitative applications such as biochemical assays, existing practices would require near-perfect device fabricaion and operation conditions unless the droplets are generated under feedback control by an extra pump setup off of the chip. In this paper, we develop an all-electronic (i.e., no ancillary pumping) real-time feedback control of on-chip droplet generation. A fast voltage modulation, capacitance sensing, and discrete-time PID feedback controller are integrated on the operating electronic board. A significant improvement is obtained in the droplet volume uniformity, compared with an open loop control as well as the previous feedback control employing an external pump. Furthermore, this new capability empowers users to prescribe the droplet volume even below the previously considered minimum, allowing, for example, 1:x (x < 1) mixing, in comparison to the previously considered n:m mixing (i.e., n and m unit droplets). PMID:18497909

  20. Advancing Efficient All-Electron Electronic Structure Methods Based on Numeric Atom-Centered Orbitals for Energy Related Materials

    NASA Astrophysics Data System (ADS)

    Blum, Volker

    This talk describes recent advances of a general, efficient, accurate all-electron electronic theory approach based on numeric atom-centered orbitals; emphasis is placed on developments related to materials for energy conversion and their discovery. For total energies and electron band structures, we show that the overall accuracy is on par with the best benchmark quality codes for materials, but scalable to large system sizes (1,000s of atoms) and amenable to both periodic and non-periodic simulations. A recent localized resolution-of-identity approach for the Coulomb operator enables O (N) hybrid functional based descriptions of the electronic structure of non-periodic and periodic systems, shown for supercell sizes up to 1,000 atoms; the same approach yields accurate results for many-body perturbation theory as well. For molecular systems, we also show how many-body perturbation theory for charged and neutral quasiparticle excitation energies can be efficiently yet accurately applied using basis sets of computationally manageable size. Finally, the talk highlights applications to the electronic structure of hybrid organic-inorganic perovskite materials, as well as to graphene-based substrates for possible future transition metal compound based electrocatalyst materials. All methods described here are part of the FHI-aims code. VB gratefully acknowledges contributions by numerous collaborators at Duke University, Fritz Haber Institute Berlin, TU Munich, USTC Hefei, Aalto University, and many others around the globe.

  1. Explicitly correlated MRCI-F12 potential energy surfaces for methane fit with several permutation invariant schemes and full-dimensional vibrational calculations

    NASA Astrophysics Data System (ADS)

    Majumder, Moumita; Hegger, Samuel E.; Dawes, Richard; Manzhos, Sergei; Wang, Xiao-Gang; Tucker, Carrington, Jr.; Li, Jun; Guo, Hua

    2015-07-01

    A data-set of nearly 100,000 symmetry unique multi-configurational ab initio points for methane were generated at the (AE)-MRCI-F12(Q)/CVQZ-F12 level, including energies beyond 30,000 cm-1 above the minimum and fit into potential energy surfaces (PESs) by several permutation invariant schemes. A multi-expansion interpolative fit combining interpolating moving least squares (IMLS) fitting and permutation invariant polynomials (PIP) was able to fit the complete data-set to a root-mean-square deviation of 1.0 cm-1 and thus was used to benchmark the other fitting methods. The other fitting methods include a single PIP expansion and two neural network (NN) based approaches, one of which combines NN with PIP. Full-dimensional variational vibrational calculations using a contracted-iterative method (and a Lanczos eigensolver) were used to assess the spectroscopic accuracy of the electronic structure method. The results show that the NN-based fitting approaches are able to fit the data-set remarkably accurately with the PIP-NN method producing levels in remarkably close agreement with the PIP-IMLS benchmark. The (AE)-MRCI-F12(Q)/CVQZ-F12 electronic structure method produces vibrational levels of near spectroscopic accuracy and a superb equilibrium geometry. The levels are systematically slightly too high, beginning at ∼ 1-2 cm-1 above the fundamentals and becoming correspondingly higher for overtones. The PES is therefore suitable for small ab initio or empirical corrections and since it is based on a multi-reference method, can be extended to represent dynamically relevant dissociation channels.

  2. An accurate full-dimensional potential energy surface for H-Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption.

    PubMed

    Janke, Svenja M; Auerbach, Daniel J; Wodtke, Alec M; Kandratsenka, Alexander

    2015-09-28

    We have constructed a potential energy surface (PES) for H-atoms interacting with fcc Au(111) based on fitting the analytic form of the energy from Effective Medium Theory (EMT) to ab initio energy values calculated with density functional theory. The fit used input from configurations of the H-Au system with Au atoms at their lattice positions as well as configurations with the Au atoms displaced from their lattice positions. It reproduces the energy, in full dimension, not only for the configurations used as input but also for a large number of additional configurations derived from ab initio molecular dynamics (AIMD) trajectories at finite temperature. Adiabatic molecular dynamics simulations on this PES reproduce the energy loss behavior of AIMD. EMT also provides expressions for the embedding electron density, which enabled us to develop a self-consistent approach to simulate nonadiabatic electron-hole pair excitation and their effect on the motion of the incident H-atoms. For H atoms with an energy of 2.7 eV colliding with Au, electron-hole pair excitation is by far the most important energy loss pathway, giving an average energy loss ≈3 times that of the adiabatic case. This increased energy loss enhances the probability of the H-atom remaining on or in the Au slab by a factor of 2. The most likely outcome for H-atoms that are not scattered also depends prodigiously on the energy transfer mechanism; for the nonadiabatic case, more than 50% of the H-atoms which do not scatter are adsorbed on the surface, while for the adiabatic case more than 50% pass entirely through the 4 layer simulation slab.

  3. An accurate full-dimensional potential energy surface for H–Au(111): Importance of nonadiabatic electronic excitation in energy transfer and adsorption

    SciTech Connect

    Janke, Svenja M.; Auerbach, Daniel J.; Kandratsenka, Alexander; Wodtke, Alec M.

    2015-09-28

    We have constructed a potential energy surface (PES) for H-atoms interacting with fcc Au(111) based on fitting the analytic form of the energy from Effective Medium Theory (EMT) to ab initio energy values calculated with density functional theory. The fit used input from configurations of the H–Au system with Au atoms at their lattice positions as well as configurations with the Au atoms displaced from their lattice positions. It reproduces the energy, in full dimension, not only for the configurations used as input but also for a large number of additional configurations derived from ab initio molecular dynamics (AIMD) trajectories at finite temperature. Adiabatic molecular dynamics simulations on this PES reproduce the energy loss behavior of AIMD. EMT also provides expressions for the embedding electron density, which enabled us to develop a self-consistent approach to simulate nonadiabatic electron-hole pair excitation and their effect on the motion of the incident H-atoms. For H atoms with an energy of 2.7 eV colliding with Au, electron-hole pair excitation is by far the most important energy loss pathway, giving an average energy loss ≈3 times that of the adiabatic case. This increased energy loss enhances the probability of the H-atom remaining on or in the Au slab by a factor of 2. The most likely outcome for H-atoms that are not scattered also depends prodigiously on the energy transfer mechanism; for the nonadiabatic case, more than 50% of the H-atoms which do not scatter are adsorbed on the surface, while for the adiabatic case more than 50% pass entirely through the 4 layer simulation slab.

  4. Effect of the electrostatic surface potential on the oligomerization of full-length human recombinant prion protein at single-molecule level.

    PubMed

    Wang, Bin; Lou, Zhichao; Zhang, Haiqian; Xu, Bingqian

    2016-03-21

    The electrostatic surface potential (ESP) of prion oligomers has critical influences on the aggregating processes of the prion molecules. The atomic force microscopy (AFM) and structural simulation were combined to investigate the molecular basis of the full-length human recombinant prion oligomerization on mica surfaces. The high resolution non-intrusive AFM images showed that the prion oligomers formed different patterns on mica surfaces at different buffer pH values. The basic binding units for the large oligomers were determined to be prion momoners (Ms), dimers (Ds), and trimers (Ts). The forming of the D and T units happened through the binding of hydrophobic β-sheets of the M units. In contrast, the α-helices of these M, D, and T units were the binding areas for the formation of large oligomers. At pH 4.5, the binding units M, D, and T showed clear polarized ESP distributions on the surface domains, while at pH 7.0, they showed more evenly distributed ESPs. Based on the conformations of oligomers observed from AFM images, the D and T units were more abundantly on mica surface at pH 4.5 because the ESP re-distribution of M units helped to stabilize these larger oligomers. The amino acid side chains involved in the binding interfaces were stabilized by hydrogen bonds and electrostatic interactions. The detailed analysis of the charged side chains at pH 4.5 indicated that the polarized ESPs induced the aggregations among M, D, and T to form larger oligomers. Therefore, the hydrogen bonds and electrostatic interactions worked together to form the stabilized prion oligomers. PMID:27004887

  5. Effect of the electrostatic surface potential on the oligomerization of full-length human recombinant prion protein at single-molecule level

    NASA Astrophysics Data System (ADS)

    Wang, Bin; Lou, Zhichao; Zhang, Haiqian; Xu, Bingqian

    2016-03-01

    The electrostatic surface potential (ESP) of prion oligomers has critical influences on the aggregating processes of the prion molecules. The atomic force microscopy (AFM) and structural simulation were combined to investigate the molecular basis of the full-length human recombinant prion oligomerization on mica surfaces. The high resolution non-intrusive AFM images showed that the prion oligomers formed different patterns on mica surfaces at different buffer pH values. The basic binding units for the large oligomers were determined to be prion momoners (Ms), dimers (Ds), and trimers (Ts). The forming of the D and T units happened through the binding of hydrophobic β-sheets of the M units. In contrast, the α-helices of these M, D, and T units were the binding areas for the formation of large oligomers. At pH 4.5, the binding units M, D, and T showed clear polarized ESP distributions on the surface domains, while at pH 7.0, they showed more evenly distributed ESPs. Based on the conformations of oligomers observed from AFM images, the D and T units were more abundantly on mica surface at pH 4.5 because the ESP re-distribution of M units helped to stabilize these larger oligomers. The amino acid side chains involved in the binding interfaces were stabilized by hydrogen bonds and electrostatic interactions. The detailed analysis of the charged side chains at pH 4.5 indicated that the polarized ESPs induced the aggregations among M, D, and T to form larger oligomers. Therefore, the hydrogen bonds and electrostatic interactions worked together to form the stabilized prion oligomers.

  6. Cluster size dependence of double ionization energy spectra of spin-polarized aluminum and sodium clusters: All-electron spin-polarized GW+T -matrix method

    NASA Astrophysics Data System (ADS)

    Noguchi, Yoshifumi; Ohno, Kaoru; Solovyev, Igor; Sasaki, Taizo

    2010-04-01

    The double ionization energy (DIE) spectra are calculated for the spin-polarized aluminum and sodium clusters by means of the all-electron spin-polarized GW+T -matrix method based on the many-body perturbation theory. Our method using the one- and two-particle Green’s functions enables us to determine the whole spectra at once in a single calculation. The smaller is the size of the cluster, the larger the difference between the minimal double ionization energy and the twice of the ionization potential. This is because the strong Coulomb repulsion between two holes becomes dominant in small confined geometry. Due to Pauli’s exclusion principle, the parallel spin DIE is close to or smaller than the antiparallel spin DIE except for Na4 that has well-separated highest and second highest occupied molecular-orbital levels calculated by the spin-dependent GW calculation. In this paper, we compare the results calculated for aluminum and sodium clusters and discuss the spin-polarized effect and the cluster size dependence of the resulting spectra in detail.

  7. The Occurrence of Potentially Habitable Planets Orbiting M Dwarfs Estimated from the Full Kepler Dataset and an Empirical Measurement of the Detection Sensitivity

    NASA Astrophysics Data System (ADS)

    Dressing, Courtney D.; Charbonneau, David

    2015-07-01

    We present an improved estimate of the occurrence rate of small planets orbiting small stars by searching the full four-year Kepler data set for transiting planets using our own planet detection pipeline and conducting transit injection and recovery simulations to empirically measure the search completeness of our pipeline. We identified 156 planet candidates, including one object that was not previously identified as a Kepler Object of Interest. We inspected all publicly available follow-up images, observing notes, and centroid analyses, and corrected for the likelihood of false positives. We evaluated the sensitivity of our detection pipeline on a star-by-star basis by injecting 2000 transit signals into the light curve of each target star. For periods shorter than 50 days, we find {0.56}-0.05+0.06 Earth-size planets (1‑1.5 R⊕) and {0.46}-0.05+0.07 super-Earths (1.5‑2 R⊕) per M dwarf. In total, we estimate a cumulative planet occurrence rate of 2.5 ± 0.2 planets per M dwarf with radii 1‑4 R⊕ and periods shorter than 200 days. Within a conservatively defined habitable zone (HZ) based on the moist greenhouse inner limit and maximum greenhouse outer limit, we estimate an occurrence rate of {0.16}-0.07+0.17 Earth-size planets and {0.12}-0.05+0.10 super-Earths per M dwarf HZ. Adopting the broader insolation boundaries of the recent Venus and early Mars limits yields a higher estimate of {0.24}-0.08+0.18 Earth-size planets and {0.21}-0.06+0.11 super-Earths per M dwarf HZ. This suggests that the nearest potentially habitable non-transiting and transiting Earth-size planets are 2.6 ± 0.4 pc and {10.6}-1.8+1.6 pc away, respectively. If we include super-Earths, these distances diminish to 2.1 ± 0.2 pc and {8.6}-0.8+0.7 pc.

  8. Effects of complete vitamin and mineral supplementation in full potential all-milk diets on growth and health of Holstein bull calves

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Pre-ruminant Holstein bull calves were fed two diets of pasteurized whole milk (PWM) in amounts that either limited intake or that maximized intake according to common commercial practice. Diets then were either supplemented or not supplemented with a full complement of vitamins and trace minerals ...

  9. Mountain Gem Russet: A medium to late season potato variety with high early and full season yield potential and excellent fresh market characteristics

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Mountain Gem Russet is a medium to late maturing variety with both high early and full season yields of oblong-long, medium-russeted tubers having higher protein content than those of standard potato varieties. Mountain Gem Russet has greater resistance to tuber late blight, tuber malformations and ...

  10. A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH{sub 4} system

    SciTech Connect

    Li, Jun E-mail: zhangdh@dicp.ac.cn; Chen, Jun; Zhao, Zhiqiang; Zhang, Dong H. E-mail: zhangdh@dicp.ac.cn; Xie, Daiqian; Guo, Hua

    2015-05-28

    We report a permutationally invariant global potential energy surface (PES) for the H + CH{sub 4} system based on ∼63 000 data points calculated at a high ab initio level (UCCSD(T)-F12a/AVTZ) using the recently proposed permutation invariant polynomial-neural network method. The small fitting error (5.1 meV) indicates a faithful representation of the ab initio points over a large configuration space. The rate coefficients calculated on the PES using tunneling corrected transition-state theory and quasi-classical trajectory are found to agree well with the available experimental and previous quantum dynamical results. The calculated total reaction probabilities (J{sub tot} = 0) including the abstraction and exchange channels using the new potential by a reduced dimensional quantum dynamic method are essentially the same as those on the Xu-Chen-Zhang PES [Chin. J. Chem. Phys. 27, 373 (2014)].

  11. Comparing the Antibacterial and Functional Properties of Cameroonian and Manuka Honeys for Potential Wound Healing-Have We Come Full Cycle in Dealing with Antibiotic Resistance?

    PubMed

    Boateng, Joshua; Diunase, Keshu Nso

    2015-01-01

    The increased incidence of bacterial resistance to antibiotics has generated renewed interest in "traditional" antimicrobials, such as honey. This paper reports on a study comparing physico-chemical, antioxidant and antibacterial characteristics (that potentially contribute in part, to the functional wound healing activity) of Cameroonian honeys with those of Manuka honey. Agar well diffusion was used to generate zones of inhibition against Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aureus while broth dilutions were used to study the minimum inhibitory concentrations (MICs). Non-peroxide activity was investigated by catalase for hydrogen peroxide reduction. The Cameroonian honeys demonstrated functional properties similar to Manuka honey, with strong correlations between the antioxidant activity and total phenol content of each honey. They were also as effective as Manuka honey in reducing bacteria load with an MIC of 10% w/v against all three bacteria and exhibited non-peroxide antimicrobial activity. These Cameroon honeys have potential therapeutic activity and may contain compounds with activity against Gram positive and Gram negative bacteria. Antibacterial agents from such natural sources present a potential affordable treatment of wound infections caused by antibiotic resistant bacteria, which are a leading cause of amputations and deaths in many African countries. PMID:26364634

  12. Comparing the Antibacterial and Functional Properties of Cameroonian and Manuka Honeys for Potential Wound Healing-Have We Come Full Cycle in Dealing with Antibiotic Resistance?

    PubMed

    Boateng, Joshua; Diunase, Keshu Nso

    2015-09-02

    The increased incidence of bacterial resistance to antibiotics has generated renewed interest in "traditional" antimicrobials, such as honey. This paper reports on a study comparing physico-chemical, antioxidant and antibacterial characteristics (that potentially contribute in part, to the functional wound healing activity) of Cameroonian honeys with those of Manuka honey. Agar well diffusion was used to generate zones of inhibition against Escherichia coli, Pseudomonas aeruginosa and Staphylococcus aureus while broth dilutions were used to study the minimum inhibitory concentrations (MICs). Non-peroxide activity was investigated by catalase for hydrogen peroxide reduction. The Cameroonian honeys demonstrated functional properties similar to Manuka honey, with strong correlations between the antioxidant activity and total phenol content of each honey. They were also as effective as Manuka honey in reducing bacteria load with an MIC of 10% w/v against all three bacteria and exhibited non-peroxide antimicrobial activity. These Cameroon honeys have potential therapeutic activity and may contain compounds with activity against Gram positive and Gram negative bacteria. Antibacterial agents from such natural sources present a potential affordable treatment of wound infections caused by antibiotic resistant bacteria, which are a leading cause of amputations and deaths in many African countries.

  13. Pure MW Data for v=0-6 of PbI Give Vibrational Spacings and a Full Analytic Potential Energy Function

    NASA Astrophysics Data System (ADS)

    Yoo, Ji Ho (Chris); Evans, Corey; Walker, Nick; Le Roy, Robert J.

    2015-06-01

    At last year's ISMS meeting, Zaleski et al. reported new broadband MW spectroscopy measurements of pure rotational transitions in the v=0-6 levels of the ^2Π1/2 ground electronic state of PbI. The analysis presented at that time was a conventional v-level by v-level `band-constant' analysis performed using the PGopher program. That level-by-level PGopher analysis yielded values of B_v, D_v and five spin-splitting parameters for each vibrational level of each isotopologue. Ignoring the spin-splitting information, the B_v and D_v values were used to generate a set of synthetic pure R(0) transitions for each level that were taken to represent the ``mechanical'' information about the molecule contained in these spectra. A standard direct-potential-fit (DPF) analysis was then used to fit these data to an ``Expanded Morse Oscillator'' (EMO) potential function form. The well-depth parameter D_e was fixed at the literature value, while values of the equilibrium distance r_e and three EMO exponent-coefficient expansion `potential shape' parameters are determined from the fits. The best fits to the data yield potentials whose fundamental vibrational spacings are in excellent agreement with experiment together with reliable predictions for the first five overtone energies. D.P. Zaleski, H. Köckert, S.L. Stephens, N. Walker, L.-M. Dickens, and C. Evans, paper RE08 at the 69th International Symposium on Molecular Spectroscopy, University of Illinois (2014). PGopher - a Program for Simulating Rotational Structure, C. M. Western, University of Bristol, http://pgopher.chm.bris.ac.uk DPotFit 2.0: A Computer Program for fitting Diatomic Molecule Spectra to Potential Energy Functions, R.J. Le Roy, J. Seto and Y. Huang, University of Waterloo Chemical Physics Research Report CP-667 (2013); see http://leroy.uwaterloo.ca/programs/. K. Ziebarth, R. Breidohr, O. Shestakov and E.H. Fink, Chem. Phys. Lett. 190, 271 (1992).

  14. Full-dimensional quantum calculations of vibrational levels of NH4+ and isotopomers on an accurate ab initio potential energy surface

    DOE PAGES

    Hua -Gen Yu; Han, Huixian; Guo, Hua

    2016-03-29

    Vibrational energy levels of the ammonium cation (NH4+) and its deuterated isotopomers are calculated using a numerically exact kinetic energy operator on a recently developed nine-dimensional permutation invariant semiglobal potential energy surface fitted to a large number of high-level ab initio points. Like CH4, the vibrational levels of NH4+ and ND4+ exhibit a polyad structure, characterized by a collective quantum number P = 2(v1 + v3) + v2 + v4. As a result, the low-lying vibrational levels of all isotopomers are assigned and the agreement with available experimental data is better than 1 cm–1.

  15. Full-Dimensional Quantum Calculations of Vibrational Levels of NH4(+) and Isotopomers on An Accurate Ab Initio Potential Energy Surface.

    PubMed

    Yu, Hua-Gen; Han, Huixian; Guo, Hua

    2016-04-14

    Vibrational energy levels of the ammonium cation (NH4(+)) and its deuterated isotopomers are calculated using a numerically exact kinetic energy operator on a recently developed nine-dimensional permutation invariant semiglobal potential energy surface fitted to a large number of high-level ab initio points. Like CH4, the vibrational levels of NH4(+) and ND4(+) exhibit a polyad structure, characterized by a collective quantum number P = 2(v1 + v3) + v2 + v4. The low-lying vibrational levels of all isotopomers are assigned and the agreement with available experimental data is better than 1 cm(-1).

  16. Variation in the Oral Processing of Everyday Meals Is Associated with Fullness and Meal Size; A Potential Nudge to Reduce Energy Intake?

    PubMed

    Ferriday, Danielle; Bosworth, Matthew L; Godinot, Nicolas; Martin, Nathalie; Forde, Ciarán G; Van Den Heuvel, Emmy; Appleton, Sarah L; Mercer Moss, Felix J; Rogers, Peter J; Brunstrom, Jeffrey M

    2016-01-01

    Laboratory studies have demonstrated that experimental manipulations of oral processing can have a marked effect on energy intake. Here, we explored whether variations in oral processing across a range of unmodified everyday meals could affect post-meal fullness and meal size. In Study 1, female participants (N = 12) attended the laboratory over 20 lunchtime sessions to consume a 400-kcal portion of a different commercially available pre-packaged meal. Prior to consumption, expected satiation was assessed. During each meal, oral processing was characterised using: (i) video-recordings of the mouth and (ii) real-time measures of plate weight. Hunger and fullness ratings were elicited pre- and post-consumption, and for a further three hours. Foods that were eaten slowly had higher expected satiation and delivered more satiation and satiety. Building on these findings, in Study 2 we selected two meals (identical energy density) from Study 1 that were equally liked but maximised differences in oral processing. On separate days, male and female participants (N = 24) consumed a 400-kcal portion of either the "fast" or "slow" meal followed by an ad libitum meal (either the same food or a dessert). When continuing with the same food, participants consumed less of the slow meal. Further, differences in food intake during the ad libitum meal were not compensated at a subsequent snacking opportunity an hour later. Together, these findings suggest that variations in oral processing across a range of unmodified everyday meals can affect fullness after consuming a fixed portion and can also impact meal size. Modifying food form to encourage increased oral processing (albeit to a lesser extent than in experimental manipulations) might represent a viable target for food manufacturers to help to nudge consumers to manage their weight. PMID:27213451

  17. Variation in the Oral Processing of Everyday Meals Is Associated with Fullness and Meal Size; A Potential Nudge to Reduce Energy Intake?

    PubMed Central

    Ferriday, Danielle; Bosworth, Matthew L.; Godinot, Nicolas; Martin, Nathalie; Forde, Ciarán G.; Van Den Heuvel, Emmy; Appleton, Sarah L.; Mercer Moss, Felix J.; Rogers, Peter J.; Brunstrom, Jeffrey M.

    2016-01-01

    Laboratory studies have demonstrated that experimental manipulations of oral processing can have a marked effect on energy intake. Here, we explored whether variations in oral processing across a range of unmodified everyday meals could affect post-meal fullness and meal size. In Study 1, female participants (N = 12) attended the laboratory over 20 lunchtime sessions to consume a 400-kcal portion of a different commercially available pre-packaged meal. Prior to consumption, expected satiation was assessed. During each meal, oral processing was characterised using: (i) video-recordings of the mouth and (ii) real-time measures of plate weight. Hunger and fullness ratings were elicited pre- and post-consumption, and for a further three hours. Foods that were eaten slowly had higher expected satiation and delivered more satiation and satiety. Building on these findings, in Study 2 we selected two meals (identical energy density) from Study 1 that were equally liked but maximised differences in oral processing. On separate days, male and female participants (N = 24) consumed a 400-kcal portion of either the “fast” or “slow” meal followed by an ad libitum meal (either the same food or a dessert). When continuing with the same food, participants consumed less of the slow meal. Further, differences in food intake during the ad libitum meal were not compensated at a subsequent snacking opportunity an hour later. Together, these findings suggest that variations in oral processing across a range of unmodified everyday meals can affect fullness after consuming a fixed portion and can also impact meal size. Modifying food form to encourage increased oral processing (albeit to a lesser extent than in experimental manipulations) might represent a viable target for food manufacturers to help to nudge consumers to manage their weight. PMID:27213451

  18. ``If it's not on the Web, it doesn't exist at all'': Electronic Information Resources -- Myth and Reality

    NASA Astrophysics Data System (ADS)

    Stevens-Rayburn, Sarah; Bouton, Ellen N.

    In this paper, we review the current status of astronomical research via electronic means, with an eye towards separating the hype from the hypothetical in hopes of revealing the actual state of affairs. We will review both anecdotal and scholarly work aimed at documenting the state of research using the World Wide Web and demonstrate that although there is enormous potential in electronic research, much of that potential is as yet unrealized. In addition, especially in astronomy, a significant amount of material is not (yet) available electronically and likely will never be. Finally, we will point out the potential danger of a looming paradigm shift in the way astronomers conduct research and the possible consequences thereof. \\end{abstract}

  19. An improved quasi-diabatic representation of the 1, 2, 3(1)A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates.

    PubMed

    Zhu, Xiaolei; Malbon, Christopher L; Yarkony, David R

    2016-03-28

    In a recent work we constructed a quasi-diabatic representation, H(d), of the 1, 2, 3(1)A adiabatic states of phenol from high level multireference single and double excitation configuration interaction electronic structure data, energies, energy gradients, and derivative couplings. That H(d) accurately describes surface minima, saddle points, and also regions of strong nonadiabatic interactions, reproducing the locus of conical intersection seams and the coordinate dependence of the derivative couplings. The present work determines the accuracy of H(d) for describing phenol photodissociation. Additionally, we demonstrate that a modest energetic shift of two diabats yields a quantifiably more accurate H(d) compared with experimental energetics. The analysis shows that in favorable circumstances it is possible to use single point energies obtained from the most reliable electronic structure methods available, including methods for which the energy gradients and derivative couplings are not available, to improve the quality of a global representation of several coupled potential energy surfaces. Our data suggest an alternative interpretation of kinetic energy release measurements near λphot ∼ 248 nm.

  20. An improved quasi-diabatic representation of the 1, 2, 31A coupled adiabatic potential energy surfaces of phenol in the full 33 internal coordinates

    NASA Astrophysics Data System (ADS)

    Zhu, Xiaolei; Malbon, Christopher L.; Yarkony, David R.

    2016-03-01

    In a recent work we constructed a quasi-diabatic representation, Hd, of the 1, 2, 31A adiabatic states of phenol from high level multireference single and double excitation configuration interaction electronic structure data, energies, energy gradients, and derivative couplings. That Hd accurately describes surface minima, saddle points, and also regions of strong nonadiabatic interactions, reproducing the locus of conical intersection seams and the coordinate dependence of the derivative couplings. The present work determines the accuracy of Hd for describing phenol photodissociation. Additionally, we demonstrate that a modest energetic shift of two diabats yields a quantifiably more accurate Hd compared with experimental energetics. The analysis shows that in favorable circumstances it is possible to use single point energies obtained from the most reliable electronic structure methods available, including methods for which the energy gradients and derivative couplings are not available, to improve the quality of a global representation of several coupled potential energy surfaces. Our data suggest an alternative interpretation of kinetic energy release measurements near λphot ˜ 248 nm.

  1. All-electron first principles calculations of the ground and some low-lying excited states of BaI.

    PubMed

    Miliordos, Evangelos; Papakondylis, Aristotle; Tsekouras, Athanasios A; Mavridis, Aristides

    2007-10-01

    The electronic structure of the heavy diatomic molecule BaI has been examined for the first time by ab initio multiconfigurational configuration interaction (MRCI) and coupled cluster (RCCSD(T)) methods. The effects of special relativity have been taken into account through the second-order Douglas-Kroll-Hess approximation. The construction of Omega(omega,omega) potential energy curves allows for the estimation of "experimental" dissociation energies (De) of the first few excited states by exploiting the accurately known De experimental value of the X2Sigma+ ground state. All states examined are of ionic character with a Mulliken charge transfer of 0.5 e- from Ba to I, and this is reflected to large dipole moments ranging from 6 to 11 D. Despite the inherent difficulties of a heavy system like BaI, our results are encouraging. With the exception of bond distances that on the average are calculated 0.05 A longer than the experimental ones, common spectroscopic parameters are in fair agreement with experiment, whereas De values are on the average 10 kcal/mol smaller. PMID:17850123

  2. Realising the Full Potential of the Web.

    ERIC Educational Resources Information Center

    Berners-Lee, Tim

    1999-01-01

    Argues that the first phase of the Web is communication through shared knowledge. Predicts that the second side to the Web, yet to emerge, is that of machine-understandable information, with humans providing the inspiration and the intuition. (CR)

  3. Full-dimensional, high-level ab initio potential energy surfaces for H2(H2O) and H2(H2O)2 with application to hydrogen clathrate hydrates.

    PubMed

    Homayoon, Zahra; Conte, Riccardo; Qu, Chen; Bowman, Joel M

    2015-08-28

    New, full-dimensional potential energy surfaces (PESs), obtained using precise least-squares fitting of high-level electronic energy databases, are reported for intrinsic H2(H2O) two-body and H2(H2O)2 three-body potentials. The database for H2(H2O) consists of approximately 44 000 energies at the coupled cluster singles and doubles plus perturbative triples (CCSD(T))-F12a/haQZ (aug-cc-pVQZ for O and cc-pVQZ for H) level of theory, while the database for the three-body interaction consists of more than 36 000 energies at the CCSD(T)-F12a/haTZ (aug-cc-pVTZ for O, cc-pVTZ for H) level of theory. Two precise potentials are based on the invariant-polynomial technique and are compared to computationally faster ones obtained via "purified" symmetrization. All fits use reduced permutational symmetry appropriate for these non-covalent interactions. These intrinsic potentials are employed together with existing ones for H2, H2O, and (H2O)2, to obtain full PESs for H2(H2O) and H2(H2O)2. Properties of these full PESs are presented, including a diffusion Monte Carlo calculation of the zero-point energy and wavefunction, and dissociation energy of the H2(H2O) dimer. These PESs together with an existing one for water clusters are used in a many-body representation of the PES of hydrogen clathrate hydrates, illustrated for H2@(H2O)20. An analysis of this hydrate is presented, including the electronic dissociation energy to remove H2 from the calculated equilibrium structure.

  4. All-electron self-consistent G W in the Matsubara-time domain: Implementation and benchmarks of semiconductors and insulators

    NASA Astrophysics Data System (ADS)

    Chu, Iek-Heng; Trinastic, Jonathan P.; Wang, Yun-Peng; Eguiluz, Adolfo G.; Kozhevnikov, Anton; Schulthess, Thomas C.; Cheng, Hai-Ping

    2016-03-01

    The G W approximation is a well-known method to improve electronic structure predictions calculated within density functional theory. In this work, we have implemented a computationally efficient G W approach that calculates central properties within the Matsubara-time domain using the modified version of elk, the full-potential linearized augmented plane wave (FP-LAPW) package. Continuous-pole expansion (CPE), a recently proposed analytic continuation method, has been incorporated and compared to the widely used Padé approximation. Full crystal symmetry has been employed for computational speedup. We have applied our approach to 18 well-studied semiconductors/insulators that cover a wide range of band gaps computed at the levels of single-shot G0W0 , partially self-consistent G W0 , and fully self-consistent G W (full-G W ), in conjunction with the diagonal approximation. Our calculations show that G0W0 leads to band gaps that agree well with experiment for the case of simple s -p electron systems, whereas full-G W is required for improving the band gaps in 3 d electron systems. In addition, G W0 almost always predicts larger band gap values compared to full-G W , likely due to the substantial underestimation of screening effects as well as the diagonal approximation. Both the CPE method and Padé approximation lead to similar band gaps for most systems except strontium titantate, suggesting that further investigation into the latter approximation is necessary for strongly correlated systems. Moreover, the calculated cation d band energies suggest that both full-G W and G W0 lead to results in good agreement with experiment. Our computed band gaps serve as important benchmarks for the accuracy of the Matsubara-time G W approach.

  5. Full potential study of the elastic, electronic, and optical properties of spinels MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4} under pressure effect

    SciTech Connect

    Semari, F.; Khenata, R.; Rabah, M.; Bouhemadou, A.; Bin Omran, S.; Reshak, Ali H.; Rached, D.

    2010-12-15

    The structural, elastic, electronic, and optical properties of cubic spinel MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4} compounds have been calculated using a full relativistic version of the full-potential linearized-augmented plane wave with the mixed basis FP/APW+lo method. The exchange and correlation potential is treated by the generalized-gradient approximation (GGA). Moreover, the Engel-Vosko GGA formalism is also applied to optimize the corresponding potential for band structure calculations. The ground state properties, including the lattice constants, the internal parameter, the bulk modulus, and the pressure derivative of the bulk modulus are in reasonable agreement with the available data. Using the total energy-strain technique, we have determined the full set of first-order elastic constants C{sub ij} and their pressure dependence, which have not been calculated or measured yet. The shear modulus, Young's modulus, and Poisson's ratio are calculated for polycrystalline XIn{sub 2}S{sub 4} aggregates. The Debye temperature is estimated from the average sound velocity. Electronic band structures show a direct band gap ({Gamma}-{Gamma}) for MgIn{sub 2}S{sub 4} and an indirect band gap (K-{Gamma}) for CdIn{sub 2}S{sub 4}. The calculated band gaps with EVGGA show a significant improvement over the GGA. The optical constants, including the dielectric function {epsilon}({omega}), the refractive index n({omega}), the reflectivity R({omega}), and the energy loss function L({omega}) were calculated for radiation up to 30 eV. -- Graphical abstract: Calculated total and partial densities of states for MgIn{sub 2}S{sub 4} and CdIn{sub 2}S{sub 4}

  6. Full-dimensional, high-level ab initio potential energy surfaces for H{sub 2}(H{sub 2}O) and H{sub 2}(H{sub 2}O){sub 2} with application to hydrogen clathrate hydrates

    SciTech Connect

    Homayoon, Zahra; Conte, Riccardo; Qu, Chen; Bowman, Joel M.

    2015-08-28

    New, full-dimensional potential energy surfaces (PESs), obtained using precise least-squares fitting of high-level electronic energy databases, are reported for intrinsic H{sub 2}(H{sub 2}O) two-body and H{sub 2}(H{sub 2}O){sub 2} three-body potentials. The database for H{sub 2}(H{sub 2}O) consists of approximately 44 000 energies at the coupled cluster singles and doubles plus perturbative triples (CCSD(T))-F12a/haQZ (aug-cc-pVQZ for O and cc-pVQZ for H) level of theory, while the database for the three-body interaction consists of more than 36 000 energies at the CCSD(T)-F12a/haTZ (aug-cc-pVTZ for O, cc-pVTZ for H) level of theory. Two precise potentials are based on the invariant-polynomial technique and are compared to computationally faster ones obtained via “purified” symmetrization. All fits use reduced permutational symmetry appropriate for these non-covalent interactions. These intrinsic potentials are employed together with existing ones for H{sub 2}, H{sub 2}O, and (H{sub 2}O){sub 2}, to obtain full PESs for H{sub 2}(H{sub 2}O) and H{sub 2}(H{sub 2}O){sub 2}. Properties of these full PESs are presented, including a diffusion Monte Carlo calculation of the zero-point energy and wavefunction, and dissociation energy of the H{sub 2}(H{sub 2}O) dimer. These PESs together with an existing one for water clusters are used in a many-body representation of the PES of hydrogen clathrate hydrates, illustrated for H{sub 2}@(H{sub 2}O){sub 20}. An analysis of this hydrate is presented, including the electronic dissociation energy to remove H{sub 2} from the calculated equilibrium structure.

  7. X-ray absorption spectra of hexagonal ice and liquid water by all-electron Gaussian and augmented plane wave calculations.

    PubMed

    Iannuzzi, Marcella

    2008-05-28

    Full potential x-ray spectroscopy simulations of hexagonal ice and liquid water are performed by means of the newly implemented methodology based on the Gaussian augmented plane waves formalism. The computed spectra obtained within the supercell approach are compared to experimental data. The variations of the spectral distribution determined by the quality of the basis set, the size of the sample, and the choice of the core-hole potential are extensively discussed. The second part of this work is focused on the understanding of the connections between specific configurations of the hydrogen bond network and the corresponding contributions to the x-ray absorption spectrum in liquid water. Our results confirm that asymmetrically coordinated molecules, in particular, those donating only one or no hydrogen bond, are associated with well identified spectral signatures that differ significantly from the ice spectral profile. However, transient local structures, with half formed hydrogen bonds, may still give rise to spectra with dominant postedge contributions and relatively weaker oscillator strengths at lower energy. This explains why by averaging the spectra over all the O atoms of liquid instantaneous configurations extracted from ab initio molecular dynamics trajectories, the spectral features indicating the presence of weak or broken hydrogen bonds turn out to be attenuated and sometimes not clearly distinguishable.

  8. X-ray absorption spectra of hexagonal ice and liquid water by all-electron Gaussian and augmented plane wave calculations

    NASA Astrophysics Data System (ADS)

    Iannuzzi, Marcella

    2008-05-01

    Full potential x-ray spectroscopy simulations of hexagonal ice and liquid water are performed by means of the newly implemented methodology based on the Gaussian augmented plane waves formalism. The computed spectra obtained within the supercell approach are compared to experimental data. The variations of the spectral distribution determined by the quality of the basis set, the size of the sample, and the choice of the core-hole potential are extensively discussed. The second part of this work is focused on the understanding of the connections between specific configurations of the hydrogen bond network and the corresponding contributions to the x-ray absorption spectrum in liquid water. Our results confirm that asymmetrically coordinated molecules, in particular, those donating only one or no hydrogen bond, are associated with well identified spectral signatures that differ significantly from the ice spectral profile. However, transient local structures, with half formed hydrogen bonds, may still give rise to spectra with dominant postedge contributions and relatively weaker oscillator strengths at lower energy. This explains why by averaging the spectra over all the O atoms of liquid instantaneous configurations extracted from ab initio molecular dynamics trajectories, the spectral features indicating the presence of weak or broken hydrogen bonds turn out to be attenuated and sometimes not clearly distinguishable.

  9. Full CI Benchmark Potentials for the 6e^- System Li_2 with a CBS Extrapolation from aug-cc-pCV5Z and aug-cc-pCV6Z Basis Sets Using Fciqmc and Dmrg

    NASA Astrophysics Data System (ADS)

    Dattani, Nikesh S.; Sharma, Sandeep; Alavi, Ali

    2016-06-01

    Being the simplest uncharged homonuclear dimer after H_2 that has a stable ground state, Li_2 is one of the most important benchmark systems for theory and experiment. In 1930, Delbruck used Li_2 to test his theory of homopolar binding, and it was used again and again as a prototype to test what have now become some of the most ubiquitous concepts in molecular physics (LCAO, SCF, MO, just to name a few). Experimentally, Roscoe and Schuster studied alkali dimers back in 1874. At the dawn of quantum mechanics, the emerging types of spectroscopic analyses we now use today, were tested on Li_2 in the labs of Wurm (1928), Harvey (1929), Lewis (1931), and many others, independently. Li_2 was at the centre of the development of PFOODR in the 80s, and PAS in the 90s; and Lithium Bose-Einstein condensates were announced only 1 month after the Nobel Prize winning BEC announcement in 1995. Even now in the 2010s, numerous experimental and theoretical studies on Li have tested QED up to the 7th power of the fine structure constant. Li_2 has also been of interest to sub-atomic physicists, as it was spectroscopic measurements on ^7Li_2 that determined the spin of ^7Li to be 3/2 in 1931; and Li_2 has been proposed in 2014 as a candidate for the first ``halo nucleonic molecule". The lowest triplet state a(1^3Σ_u^+) is an excellent benchmark system for all newly emerging ab initio techniques because it has only 6e^-, its potential is only 334 cm-1 deep, it avoids harsh complications from spin-orbit coupling, and it is the deepest potential for which all predicted vibrational energy levels have been observed with 0.0001 cm-1 precision. However the current best ab initio potentials do not even yield all vibrational energy spacings correct to within 1 cm-1. This could be because the calculation was only done on a cc-pV5Z basis set, or because the QCISD(T,full) method that the authors used, only considered triple excitations while a full CI calculation should include up to hexuple

  10. Full Color Holographic Endoscopy

    NASA Astrophysics Data System (ADS)

    Osanlou, A.; Bjelkhagen, H.; Mirlis, E.; Crosby, P.; Shore, A.; Henderson, P.; Napier, P.

    2013-02-01

    The ability to produce color holograms from the human tissue represents a major medical advance, specifically in the areas of diagnosis and teaching. This has been achieved at Glyndwr University. In corporation with partners at Gooch & Housego, Moor Instruments, Vivid Components and peninsula medical school, Exeter, UK, for the first time, we have produced full color holograms of human cell samples in which the cell boundary and the nuclei inside the cells could be clearly focused at different depths - something impossible with a two-dimensional photographic image. This was the main objective set by the peninsula medical school at Exeter, UK. Achieving this objective means that clinically useful images essentially indistinguishable from the object human cells could be routinely recorded. This could potentially be done at the tip of a holo-endoscopic probe inside the body. Optimised recording exposure and development processes for the holograms were defined for bulk exposures. This included the optimisation of in-house recording emulsions for coating evaluation onto polymer substrates (rather than glass plates), a key step for large volume commercial exploitation. At Glyndwr University, we also developed a new version of our in-house holographic (world-leading resolution) emulsion.

  11. Full-dimensional quantum calculations of the dissociation energy, zero-point, and 10 K properties of H7+/D7+ clusters using an ab initio potential energy surface

    NASA Astrophysics Data System (ADS)

    Barragán, Patricia; Pérez de Tudela, Ricardo; Qu, Chen; Prosmiti, Rita; Bowman, Joel M.

    2013-07-01

    Diffusion Monte Carlo (DMC) and path-integral Monte Carlo computations of the vibrational ground state and 10 K equilibrium state properties of the H_7^+/D_7^+ cations are presented, using an ab initio full-dimensional potential energy surface. The DMC zero-point energies of dissociated fragments H_5^+(D_5^+)+H2(D2) are also calculated and from these results and the electronic dissociation energy, dissociation energies, D0, of 752 ± 15 and 980 ± 14 cm-1 are reported for H_7^+ and D_7^+, respectively. Due to the known error in the electronic dissociation energy of the potential surface, these quantities are underestimated by roughly 65 cm-1. These values are rigorously determined for first time, and compared with previous theoretical estimates from electronic structure calculations using standard harmonic analysis, and available experimental measurements. Probability density distributions are also computed for the ground vibrational and 10 K state of H_7^+ and D_7^+. These are qualitatively described as a central H_3^+/D_3^+ core surrounded by "solvent" H2/D2 molecules that nearly freely rotate.

  12. Rate constant calculations of the GeH4 + OH/OD → GeH3 + H2O/HOD reactions using an ab initio based full-dimensional potential energy surface.

    PubMed

    Espinosa-Garcia, J; Rangel, C; Corchado, J C

    2016-06-22

    We report an analytical full-dimensional potential energy surface for the GeH4 + OH → GeH3 + H2O reaction based on ab initio calculations. It is a practically barrierless reaction with very high exothermicity and the presence of intermediate complexes in the entrance and exit channels, reproducing the experimental evidence. Using this surface, thermal rate constants for the GeH4 + OH/OD isotopic reactions were calculated using two approaches: variational transition state theory (VTST) and quasi-classical trajectory (QCT) calculations, in the temperature range 200-1000 K, and results were compared with the only experimental data at 298 K. Both methods showed similar values over the whole temperature range, with differences less than 30%; and the experimental data was reproduced at 298 K, with negative temperature dependence below 300 K, which is associated with the presence of an intermediate complex in the entrance channel. However, while the QCT approach reproduced the experimental kinetic isotope effect, the VTST approach underestimated it. We suggest that this difference is associated with the harmonic approximation used in the treatment of vibrational frequencies.

  13. Rate constant calculations of the GeH4 + OH/OD → GeH3 + H2O/HOD reactions using an ab initio based full-dimensional potential energy surface.

    PubMed

    Espinosa-Garcia, J; Rangel, C; Corchado, J C

    2016-06-22

    We report an analytical full-dimensional potential energy surface for the GeH4 + OH → GeH3 + H2O reaction based on ab initio calculations. It is a practically barrierless reaction with very high exothermicity and the presence of intermediate complexes in the entrance and exit channels, reproducing the experimental evidence. Using this surface, thermal rate constants for the GeH4 + OH/OD isotopic reactions were calculated using two approaches: variational transition state theory (VTST) and quasi-classical trajectory (QCT) calculations, in the temperature range 200-1000 K, and results were compared with the only experimental data at 298 K. Both methods showed similar values over the whole temperature range, with differences less than 30%; and the experimental data was reproduced at 298 K, with negative temperature dependence below 300 K, which is associated with the presence of an intermediate complex in the entrance channel. However, while the QCT approach reproduced the experimental kinetic isotope effect, the VTST approach underestimated it. We suggest that this difference is associated with the harmonic approximation used in the treatment of vibrational frequencies. PMID:27292879

  14. Diet - full liquid

    MedlinePlus

    ... O Milkshakes Pudding Popsicles You can NOT eat solid foods when you are on a full liquid ... bouillon, consommé, and strained cream soups, but NO solids) Sodas, such as ginger ale and Sprite Gelatin ( ...

  15. New results for the OH (ν=0,j=0)+CO (ν=0,j=0)-->H+CO2 reaction: Five- and full-dimensional quantum dynamical study on several potential energy surfaces

    NASA Astrophysics Data System (ADS)

    Valero, Rosendo; McCormack, Drew A.; Kroes, Geert-Jan

    2004-03-01

    Full- [six-dimensional (6-D)] and reduced-dimensional [five-dimensional (5-D)] quantum wave packet calculations have been performed for the title reaction to obtain reaction probabilities deriving from the ground rovibrational states of OH and CO with total angular momentum J=0. Three potential energy surfaces (PES) are studied, namely, those of Bradley and Schatz (BS), Yu, Muckerman, and Sears (YMS), and Lakin, Troya, Schatz, and Harding (LTSH). 6-D calculations are performed only for the BS PES, while 5-D results are reported for all three PES'. The 6-D results obtained in the present work improve on those previously reported, since a larger vibrational basis and a better representation of the OH and CO bonds has been introduced. In particular, we now employ a generalized Lanczos-Morse discrete variable representation for both the OH and CO vibrations. In a further improvement, the generalized discrete variable representation of the CO vibration is based on different CO intramolecular potentials for the asymptotic and product grids employed in our projection formalism. This new treatment of the vibrational bases allows for a large reduction in computation time with respect to our previous implementation of the wave packet method, for a given level of accuracy. As a result, we have been able to extend the range of collision energies for which we can obtain converged 6-D results to a higher energy (0.8 eV) than was possible before (0.5 eV). The comparison of the new 6-D and previous 5-D results for the BS PES shows good agreement of the general trend in the reaction probabilities over all collision energies considered (0.1-0.8 eV), while our previous 6-D calculation showed reaction probabilities that differed from the 5-D results by up to 10% between 0.5 and 0.8 eV. The 5-D reaction probabilities reveal interesting trends for the different PES'. In particular, at low energies (<0.2 eV) the LTSH PES gives rise to much larger reactivity than the other PES', while at

  16. Full Multigrid Flow Solver

    NASA Technical Reports Server (NTRS)

    Mineck, Raymond E.; Thomas, James L.; Biedron, Robert T.; Diskin, Boris

    2005-01-01

    FMG3D (full multigrid 3 dimensions) is a pilot computer program that solves equations of fluid flow using a finite difference representation on a structured grid. Infrastructure exists for three dimensions but the current implementation treats only two dimensions. Written in Fortran 90, FMG3D takes advantage of the recursive subroutine feature, dynamic memory allocation, and structured-programming constructs of that language. FMG3D supports multi-block grids with three types of block-to-block interfaces: periodic, C-zero, and C-infinity. For all three types, grid points must match at interfaces. For periodic and C-infinity types, derivatives of grid metrics must be continuous at interfaces. The available equation sets are as follows: scalar elliptic equations, scalar convection equations, and the pressure-Poisson formulation of the Navier-Stokes equations for an incompressible fluid. All the equation sets are implemented with nonzero forcing functions to enable the use of user-specified solutions to assist in verification and validation. The equations are solved with a full multigrid scheme using a full approximation scheme to converge the solution on each succeeding grid level. Restriction to the next coarser mesh uses direct injection for variables and full weighting for residual quantities; prolongation of the coarse grid correction from the coarse mesh to the fine mesh uses bilinear interpolation; and prolongation of the coarse grid solution uses bicubic interpolation.

  17. [Full-field OCT].

    PubMed

    Dubois, Arnaud; Boccara, Claude

    2006-10-01

    Optical coherence tomography (OCT) is an emerging technique for imaging of biological media with micrometer-scale resolution, whose most significant impact concerns ophthalmology. Since its introduction in the early 1990's, OCT has known a lot of improvements and sophistications. Full-field OCT is our original approach of OCT, based on white-light interference microscopy. Tomographic images are obtained by combination of interferometric images recorded in parallel by a detector array such as a CCD camera. Whereas conventional OCT produces B-mode (axially-oriented) images like ultrasound imaging, full-field OCT acquires tomographic images in the en face (transverse) orientation. Full-field OCT is an alternative method to conventional OCT to provide ultrahigh resolution images (approximately 1 microm), using a simple halogen lamp instead of a complex laser-based source. Various studies have been carried, demonstrating the performances of this technology for three-dimensional imaging of ex vivo specimens. Full-field OCT can be used for non-invasive histological studies without sample preparation. In vivo imaging is still difficult because of the object motions. A lot of efforts are currently devoted to overcome this limitation. Ultra-fast full-field OCT was recently demonstrated with unprecedented image acquisition speed, but the detection sensitivity has still to be improved. Other research directions include the increase of the imaging penetration depth in highly scattering biological tissues such as skin, and the exploitation of new contrasts such as optical birefringence to provide additional information on the tissue morphology and composition. PMID:17026940

  18. Full Scale Tunnel model

    NASA Technical Reports Server (NTRS)

    1929-01-01

    Interior view of Full-Scale Tunnel (FST) model. (Small human figures have been added for scale.) On June 26, 1929, Elton W. Miller wrote to George W. Lewis proposing the construction of a model of the full-scale tunnel . 'The excellent energy ratio obtained in the new wind tunnel of the California Institute of Technology suggests that before proceeding with our full scale tunnel design, we ought to investigate the effect on energy ratio of such factors as: 1. small included angle for the exit cone; 2. carefully designed return passages of circular section as far as possible, without sudden changes in cross sections; 3. tightness of walls. It is believed that much useful information can be obtained by building a model of about 1/16 scale, that is, having a closed throat of 2 ft. by 4 ft. The outside dimensions would be about 12 ft. by 25 ft. in plan and the height 4 ft. Two propellers will be required about 28 in. in diameter, each to be driven by direct current motor at a maximum speed of 4500 R.P.M. Provision can be made for altering the length of certain portions, particularly the exit cone, and possibly for the application of boundary layer control in order to effect satisfactory air flow.

  19. Full Tolerant Archiving System

    NASA Astrophysics Data System (ADS)

    Knapic, C.; Molinaro, M.; Smareglia, R.

    2013-10-01

    The archiving system at the Italian center for Astronomical Archives (IA2) manages data from external sources like telescopes, observatories, or surveys and handles them in order to guarantee preservation, dissemination, and reliability, in most cases in a Virtual Observatory (VO) compliant manner. A metadata model dynamic constructor and a data archive manager are new concepts aimed at automatizing the management of different astronomical data sources in a fault tolerant environment. The goal is a full tolerant archiving system, nevertheless complicated by the presence of various and time changing data models, file formats (FITS, HDF5, ROOT, PDS, etc.) and metadata content, even inside the same project. To avoid this unpleasant scenario a novel approach is proposed in order to guarantee data ingestion, backward compatibility, and information preservation.

  20. Full Scale Tunnel (FST)

    NASA Technical Reports Server (NTRS)

    1930-01-01

    Construction of Full Scale Tunnel (FST). In November 1929, Smith DeFrance submitted his recommendations for the general design of the Full Scale Wind Tunnel. The last on his list concerned the division of labor required to build this unusual facility. He believed the job had five parts and described them as follows: 'It is proposed that invitations be sent out for bids on five groups of items. The first would be for one contract on the complete structure; second the same as first, including the erection of the cones but not the fabrication, since this would be more of a shipyard job; third would cover structural steel, cover, sash and doors, but not cones or foundation; fourth, foundations; an fifth, fabrication of cones.' DeFrance's memorandum prompted the NACA to solicit estimates from a large number of companies. Preliminary designs and estimates were prepared and submitted to the Bureau of the Budget and Congress appropriated funds on February 20, 1929. The main construction contract with the J.A. Jones Company of Charlotte, North Carolina was signed one year later on February 12, 1930. It was a peculiar structure as the building's steel framework is visible on the outside of the building. DeFrance described this in NACA TR No. 459: 'The entire equipment is housed in a structure, the outside walls of which serve as the outer walls of the return passages. The over-all length of the tunnel is 434 feet 6 inches, the width 222 feet, and the maximum height 97 feet. The framework is of structural steel....' (pp. 292-293)

  1. Full Scale Tunnel (FST)

    NASA Technical Reports Server (NTRS)

    1930-01-01

    Construction of Full-Scale Tunnel (FST). In November 1929, Smith DeFrance submitted his recommendations for the general design of the Full Scale Wind Tunnel. The last on his list concerned the division of labor required to build this unusual facility. He believed the job had five parts and described them as follows: 'It is proposed that invitations be sent out for bids on five groups of items. The first would be for one contract on the complete structure; second the same as first, including the erection of the cones but not the fabrication, since this would be more of a shipyard job; third would cover structural steel, cover, sash and doors, but not cones or foundation; fourth, foundations; and fifth, fabrication of cones.' DeFrance's memorandum prompted the NACA to solicit estimates from a large number of companies. Preliminary designs and estimates were prepared and submitted to the Bureau of the Budget and Congress appropriated funds on February 20, 1929. The main construction contract with the J.A. Jones Company of Charlotte, North Carolina was signed one year later on February 12, 1930. It was a peculiar structure as the building's steel framework is visible on the outside of the building. DeFrance described this in NACA TR No. 459: 'The entire equipment is housed in a structure, the outside walls of which serve as the outer walls of the return passages. The over-all length of the tunnel is 434 feet 6 inches, the width 222 feet, and the maximum height 97 feet. The framework is of structural steel....' (pp. 292-293).

  2. Full Jupiter Mosaic

    NASA Technical Reports Server (NTRS)

    2007-01-01

    This image of Jupiter is produced from a 2x2 mosaic of photos taken by the New Horizons Long Range Reconnaissance Imager (LORRI), and assembled by the LORRI team at the Johns Hopkins University Applied Physics Laboratory. The telescopic camera snapped the images during a 3-minute, 35-second span on February 10, when the spacecraft was 29 million kilometers (18 million miles) from Jupiter. At this distance, Jupiter's diameter was 1,015 LORRI pixels -- nearly filling the imager's entire (1,024-by-1,024 pixel) field of view. Features as small as 290 kilometers (180 miles) are visible.

    Both the Great Red Spot and Little Red Spot are visible in the image, on the left and lower right, respectively. The apparent 'storm' on the planet's right limb is a section of the south tropical zone that has been detached from the region to its west (or left) by a 'disturbance' that scientists and amateur astronomers are watching closely.

    At the time LORRI took these images, New Horizons was 820 million kilometers (510 million miles) from home -- nearly 51/2 times the distance between the Sun and Earth. This is the last full-disk image of Jupiter LORRI will produce, since Jupiter is appearing larger as New Horizons draws closer, and the imager will start to focus on specific areas of the planet for higher-resolution studies.

  3. SOHO Resumes Full Operation

    NASA Astrophysics Data System (ADS)

    2003-07-01

    SOHO orbit hi-res Size hi-res: 324 kb Credits: SOHO (ESA & NASA) SOHO orbit Because of its static position, every three months the high-gain antenna loses sight of Earth. During this time, engineers will rotate the spacecraft by 180 degrees to regain full contact a few days later. Since 19 June 2003, SOHO's high-gain antenna (HGA), which transmits high-speed data to Earth, has been fixed in position following the discovery of a malfunction in its pointing mechanism. This resulted in a loss of signal through SOHO's usual 26-metre ground stations on 27 June 2003. However, 34-metre radio dishes continued to receive high-speed transmissions from the HGA until 1 July 2003. Since then, astronomers have been relying primarily on a slower transmission rate signal, sent through SOHO's backup antenna. It can be picked up whenever a 34-metre dish is available. However, this signal could not transmit all of SOHO's data. Some data was recorded on board, however, and downloaded using high-speed transmissions through the backup antenna when time on the largest, 70-metre dishes could be spared. SOHO itself orbits a point in space, 1.5 million kilometres closer to the Sun than the Earth, once every 6 months. To reorient the HGA for the next half of this orbit, engineers rolled the spacecraft through a half-circle on 8 July 2003. On 10 July, the 34-metre radio dish in Madrid re-established contact with SOHO's HGA. Then on the morning of 14 July 2003, normal operations with the spacecraft resumed through its usual 26-metre ground stations, as predicted. With the HGA now static, the blackouts, lasting between 9 and 16 days, will continue to occur every 3 months. Engineers will rotate SOHO by 180 degrees every time this occurs. This manoeuvre will minimise data losses. Stein Haugan, acting SOHO project scientist, says "It is good to welcome SOHO back to normal operations, as it proves that we have a good understanding of the situation and can confidently work around it."

  4. The Kepler Full Frame Images

    NASA Technical Reports Server (NTRS)

    Dotson, Jessie L.; Batalha, Natalie; Bryson, Stephen T.; Caldwell, Douglas A.; Clarke, Bruce D.

    2010-01-01

    NASA's exoplanet discovery mission Kepler provides uninterrupted 1-min and 30-min optical photometry of a 100 square degree field over a 3.5 yr nominal mission. Downlink bandwidth is filled at these short cadences by selecting only detector pixels specific to 105 preselected stellar targets. The majority of the Kepler field, comprising 4 x 10(exp 6) m_v < 20 sources, is sampled at much lower 1-month cadence in the form of a full-frame image. The Full Frame Images (FFIs) are calibrated by the Science Operations Center at NASA Ames Research Center. The Kepler Team employ these images for astrometric and photometric reference but make the images available to the astrophysics community through the Multimission Archive at STScI (MAST). The full-frame images provide a resource for potential Kepler Guest Observers to select targets and plan observing proposals, while also providing a freely-available long-cadence legacy of photometric variation across a swathe of the Galactic disk.

  5. Singlet-triplet energy splitting between 1D and 3D (1s2 2s nd), n = 3, 4, 5, and 6, Rydberg states of the beryllium atom (9Be) calculated with all-electron explicitly correlated Gaussian functions

    NASA Astrophysics Data System (ADS)

    Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik

    2014-11-01

    Accurate variational nonrelativistic quantum-mechanical calculations are performed for the five lowest 1D and four lowest 3D states of the 9Be isotope of the beryllium atom. All-electron explicitly correlated Gaussian (ECG) functions are used in the calculations and their nonlinear parameters are optimized with the aid of the analytical energy gradient determined with respect to these parameters. The effect of the finite nuclear mass is directly included in the Hamiltonian used in the calculations. The singlet-triplet energy gaps between the corresponding 1D and 3D states, are reported.

  6. Inspiring a Life Full of Learning

    ERIC Educational Resources Information Center

    Nasse, Saul

    2010-01-01

    After being appointed as Controller of BBC Learning, this author reflected on how the BBC had inspired his own love of learning. He realised that unlocking the learning potential of the full range of BBC outputs would be the key to inspiring a "life full of learning" for all its audiences. In this article, the author describes four new programme…

  7. Imaginative Play during Childhood: Required for Reaching Full Potential

    ERIC Educational Resources Information Center

    Stephens, Karen

    2009-01-01

    At a brisk pace, research findings focused on children's play are finally reaching the light of day in popular media. No longer left sitting in archives of academic journals, the benefits of play to lifelong success have been touted in radio, television, magazines, and newspapers. It gives early childhood professionals a powerful, credible…

  8. Carbon tax needs thresholds to reach its full potential

    NASA Astrophysics Data System (ADS)

    Pezzey, John C. V.; Jotzo, Frank

    2013-12-01

    The political opportunities for implementing a carbon tax high enough to induce large emission cuts will be better if at first the tax is charged on the difference between emissions and fixed thresholds, rather than on all emissions as is now practised.

  9. Paraxial Full-Field Cloaking

    NASA Astrophysics Data System (ADS)

    Choi, Joseph; Howell, John

    2015-05-01

    Broadband, omnidirectional invisibility cloaking has been a goal of scientists since coordinate transformations were suggested for cloaking. The requirements for realizing such a cloak can be simplified by considering only the paraxial (`small-angle') regime. We recap the experimental demonstration of paraxial ray optics cloaking and theoretically complete its formalism, by extending it to the full-field of light. We then show how to build a full-field paraxial cloaking system.

  10. An algorithm for nonrelativistic quantum-mechanical finite-nuclear-mass variational calculations of nitrogen atom in L = 0, M = 0 states using all-electrons explicitly correlated Gaussian basis functions

    SciTech Connect

    Sharkey, Keeper L.; Adamowicz, Ludwik

    2014-05-07

    An algorithm for quantum-mechanical nonrelativistic variational calculations of L = 0 and M = 0 states of atoms with an arbitrary number of s electrons and with three p electrons have been implemented and tested in the calculations of the ground {sup 4}S state of the nitrogen atom. The spatial part of the wave function is expanded in terms of all-electrons explicitly correlated Gaussian functions with the appropriate pre-exponential Cartesian angular factors for states with the L = 0 and M = 0 symmetry. The algorithm includes formulas for calculating the Hamiltonian and overlap matrix elements, as well as formulas for calculating the analytic energy gradient determined with respect to the Gaussian exponential parameters. The gradient is used in the variational optimization of these parameters. The Hamiltonian used in the approach is obtained by rigorously separating the center-of-mass motion from the laboratory-frame all-particle Hamiltonian, and thus it explicitly depends on the finite mass of the nucleus. With that, the mass effect on the total ground-state energy is determined.

  11. Full and partial gauge fixing

    SciTech Connect

    Shirzad, A.

    2007-08-15

    Gauge fixing may be done in different ways. We show that using the chain structure to describe a constrained system enables us to use either a full gauge, in which all gauged degrees of freedom are determined, or a partial gauge, in which some first class constraints remain as subsidiary conditions to be imposed on the solutions of the equations of motion. We also show that the number of constants of motion depends on the level in a constraint chain in which the gauge fixing condition is imposed. The relativistic point particle, electromagnetism, and the Polyakov string are discussed as examples and full or partial gauges are distinguished.

  12. Step up to Full Inquiry

    ERIC Educational Resources Information Center

    Jensen, Jill; Kindem, Cathy

    2011-01-01

    Elementary students make great scientists. They are natural questioners and observers. Capitalizing on this natural curiosity and wonderment, the authors have developed a method of doing inquiry investigations with students that many teachers have found practical and user friendly. Their belief is that full inquiry lessons serve as a vital method…

  13. Full breastfeeding and paediatric cancer

    PubMed Central

    Ortega-García, Juan A.; Ferrís-Tortajada, Josep; Torres-Cantero, Alberto M.; Soldin, Offie P.; Torres, Encarna Pastor; Fuster-Soler, Jose L.; Lopez-Ibor, Blanca; Madero-López, Luis

    2013-01-01

    Aim It has been suggested that there is an inverse association between breastfeeding and the risk of childhood cancer. We investigated the association between full breastfeeding and paediatric cancer (PC) in a case control study in Spain. Methods Maternal reports of full breastfeeding, collected through personal interviews using the Paediatric Environmental History, were compared among 187 children 6 months of age or older who had PC and 187 age-matched control siblings. Results The mean duration of full breastfeeding for cases were 8.43 and 11.25 weeks for controls. Cases had been significantly more often bottle-fed than controls (odds ratio (OR) 1.8; 95% confidence interval (CI) 1.1–2.8). Cases were significantly less breastfed for at least 2 months (OR 0.5; 95% CI 0.3–0.8), for at least 4 months (OR 0.5; 95% CI 0.3–0.8), and for 24 weeks or more (OR 0.5; 95% CI 0.2–0.9). Conclusions Breastfeeding was inversely associated with PC, the protection increasing with the duration of full breastfeeding. Additional research on possible mechanisms of this association may be warranted. Meanwhile, breastfeeding should be encouraged among mothers. PMID:17999666

  14. Full-Scale Tunnel (FST)

    NASA Technical Reports Server (NTRS)

    1931-01-01

    Wing and nacelle set-up in Full-Scale Tunnel (FST). The NACA conducted drag tests in 1931 on a P3M-1 nacelle which were presented in a special report to the Navy. Smith DeFrance described this work in the report's introduction: 'Tests were conducted in the full-scale wind tunnel on a five to four geared Pratt and Whitney Wasp engine mounted in a P3M-1 nacelle. In order to simulate the flight conditions the nacelle was assembled on a 15-foot span of wing from the same airplane. The purpose of the tests was to improve the cooling of the engine and to reduce the drag of the nacelle combination. Thermocouples were installed at various points on the cylinders and temperature readings were obtained from these by the power plants division. These results will be reported in a memorandum by that division. The drag results, which are covered by this memorandum, were obtained with the original nacelle condition as received from the Navy with the tail of the nacelle modified, with the nose section of the nacelle modified, with a Curtiss anti-drag ring attached to the engine, with a Type G ring developed by the N.A.C.A., and with a Type D cowling which was also developed by the N.A.C.A.' (p. 1)

  15. Achieving and sustaining full employment.

    PubMed

    Rosen, S M

    1995-01-01

    Human rights and public health considerations provide strong support for policies that maximize employment. Ample historical and conceptual evidence supports the feasibility of full employment policies. New factors affecting the labor force, the rate of technological change, and the globalization of economic activity require appropriate policies--international as well as national--but do not invalidate the ability of modern states to apply the measures needed. Among these the most important include: (I) systematic reduction in working time with no loss of income, (2) active labor market policies, (3) use of fiscal and monetary measures to sustain the needed level of aggregate demand, (4) restoration of equal bargaining power between labor and capital, (5) social investment in neglected and outmoded infrastructure, (6) accountability of corporations for decisions to shift or reduce capital investment, (7) major reductions in military spending, to be replaced by socially needed and economically productive expenditures, (8) direct public sector job creation, (9) reform of monetary policy to restore emphasis on minimizing unemployment and promoting full employment. None are without precedent in modern economies. The obstacles are ideological and political. To overcome them will require intellectual clarity and effective advocacy. PMID:7499512

  16. Full-Scale Tunnel (FST)

    NASA Technical Reports Server (NTRS)

    1929-01-01

    Modified propeller and spinner in Full-Scale Tunnel (FST) model. On June 26, 1929, Elton W. Miller wrote to George W. Lewis proposing the construction of a model of the full-scale tunnel. 'The excellent energy ratio obtained in the new wind tunnel of the California Institute of Technology suggests that before proceeding with our full scale tunnel design, we ought to investigate the effect on energy ratio of such factors as: 1. small included angle for the exit cone; 2. carefully designed return passages of circular section as far as possible, without sudden changes in cross sections; 3. tightness of walls. It is believed that much useful information can be obtained by building a model of about 1/16 scale, that is, having a closed throat of 2 ft. by 4 ft. The outside dimensions would be about 12 ft. by 25 ft. in plan and the height 4 ft. Two propellers will be required about 28 in. in diameter, each to be driven by direct current motor at a maximum speed of 4500 R.P.M. Provision can be made for altering the length of certain portions, particularly the exit cone, and possibly for the application of boundary layer control in order to effect satisfactory air flow. This model can be constructed in a comparatively short time, using 2 by 4 framing with matched sheathing inside, and where circular sections are desired they can be obtained by nailing sheet metal to wooden ribs, which can be cut on the band saw. It is estimated that three months will be required for the construction and testing of such a model and that the cost will be approximately three thousand dollars, one thousand dollars of which will be for the motors. No suitable location appears to exist in any of our present buildings, and it may be necessary to build it outside and cover it with a roof.' George Lewis responded immediately (June 27) granting the authority to proceed. He urged Langley to expedite construction and to employ extra carpenters if necessary. Funds for the model came from the FST project

  17. Full-bridge capacitive extensometer

    NASA Astrophysics Data System (ADS)

    Peters, Randall D.

    1993-08-01

    Capacitive transducers have proven to be very effective sensors of small displacements, because of inherent stability and noninvasive high resolution. The most versatile ones have been those of a differential type, in which two elements are altered in opposite directions in response to change of the system parameter being monitored. Oftentimes, this differential pair has been incorporated into a bridge circuit, which is a useful means for employing synchronous detection to improve signal to noise ratios. Unlike previous differential capacitive dilatometers which used only two active capacitors, the present sensor is a full-bridge type, which is well suited to measuring low-level thermal expansions. This analog sensor is capable of 0.1 μm resolution anywhere within a range of several centimeters, with a linearity of 0.1%. Its user friendly output can be put on a strip chart recorder or directed to a computer for sophisticated data analysis.

  18. Full-Scale Tunnel (FST)

    NASA Technical Reports Server (NTRS)

    1930-01-01

    Construction of Full-Scale Tunnel (FST). In November 1929, Smith DeFrance submitted his recommendations for the general design of the Full Scale Wind Tunnel. The last on his list concerned the division of labor required to build this unusual facility. He believed the job had five parts and described them as follows: 'It is proposed that invitations be sent out for bids on five groups of items. The first would be for one contract on the complete structure; second the same as first, including the erection of the cones but not the fabrication, since this would be more of a shipyard job; third would cover structural steel, cover, sash and doors, but not cones or foundation; fourth, foundations; an fifth, fabrication of cones.' DeFrance's memorandum prompted the NACA to solicit estimates from a large number of companies. Preliminary designs and estimates were prepared and submitted to the Bureau of the Budget and Congress appropriated funds on February 20, 1929. The main construction contract with the J.A. Jones Company of Charlotte, North Carolina was signed one year later on February 12, 1930. It was a peculiar structure as the building's steel framework is visible on the outside of the building. DeFrance described this in NACA TR No. 459: 'The entire equipment is housed in a structure, the outside walls of which serve as the outer walls of the return passages. The over-all length of the tunnel is 434 feet 6 inches, the width 222 feet, and the maximum height 97 feet. The framework is of structural steel....' (pp. 292-293).

  19. Full-Scale Tunnel (FST)

    NASA Technical Reports Server (NTRS)

    1930-01-01

    Construction of Full-Scale Tunnel (FST): 120-Foot Truss hoisting, one and two point suspension. In November 1929, Smith DeFrance submitted his recommendations for the general design of the Full Scale Wind Tunnel. The last on his list concerned the division of labor required to build this unusual facility. He believed the job had five parts and described them as follows: 'It is proposed that invitations be sent out for bids on five groups of items. The first would be for one contract on the complete structure; second the same as first, including the erection of the cones but not the fabrication, since this would be more of a shipyard job; third would cover structural steel, cover, sash and doors, but not cones or foundation; fourth, foundations; and fifth, fabrication of cones.' DeFrance's memorandum prompted the NACA to solicit estimates from a large number of companies. Preliminary designs and estimates were prepared and submitted to the Bureau of the Budget and Congress appropriated funds on February 20, 1929. The main construction contract with the J.A. Jones Company of Charlotte, North Carolina was signed one year later on February 12, 1930. It was a peculiar structure as the building's steel framework is visible on the outside of the building. DeFrance described this in NACA TR No. 459: 'The entire equipment is housed in a structure, the outside walls of which serve as the outer walls of the return passages. The over-all length of the tunnel is 434 feet 6 inches, the width 222 feet, and the maximum height 97 feet. The framework is of structural steel....' (pp. 292-293)

  20. X-ray absorption spectroscopy, EELS, and full-potential augmented plane wave study of the electronic structure of Ti{sub 2}AlC, Ti{sub 2}AlN, Nb{sub 2}AlC, and (Ti{sub 0.5}Nb{sub 0.5}){sub 2}AlC

    SciTech Connect

    Hug, G.; Jaouen, M.; Barsoum, M.W.

    2005-01-01

    The structural parameters of various Haegg phases (H or M{sub n+1}AX{sub n} phases) are studied experimentally by x-ray and electron spectroscopies, x-ray diffraction, and ab initio full potential as well as full mutiple scattering theoretical calculations. Experimentally it was found that the structure of all ternary compounds analyzed herein are relaxed. The values of the lattice parameters and relaxations obtained from ab initio calculations are in excellent agreement with those deduced from the analysis of the experimental data. The bonding scheme has been analyzed and the charge transfer between constituting atoms determined. It is demonstrated that the strength and electrical transport properties in these materials are principally governed by the metallic planes. For the solid solution (Ti{sub 0.5}Nb{sub 0.5}){sub 2}AlC, the most salient result is that the basal planes are corrugated, which could explain the solid solution scattering observed in this H phase.

  1. Full L.A. treatment

    SciTech Connect

    Wahbeh, V.N.; Clark, J.H.; Naydo, W.R.; Horii, R.S.

    1993-09-01

    The high-purity-oxygen activated sludge process will be used to expand secondary treatment capacity and improve water quality in Santa Monica Bay. The facility is operated by the city of Los Angeles Department of Public Works` Bureau of Sanitation. The overall Hyperion Full Secondary Project is 30% complete, including a new headworks, a new primary clarifier battery, an electrical switch yard, and additional support facilities. The upgrading of secondary facilities is 50% complete, and construction of the digester facilities, the waste-activated sludge thickening facility, and the second phase of the three-phase modification to existing primary clarifier batteries has just begun. The expansion program will provide a maximum monthly design capacity of 19,723 L/s(450 mgd). Hyperion`s expansion program uses industrial treatment techniques rarely attempted in a municipal facility, particularly on such a large scale, including: a user-friendly intermediate pumping station featuring 3.8-m Archimedes screw pumps with a capacity of 5479 L/s each; space-efficient, high-purity-oxygen reactors; a one-of-a-kind, 777-Mg/d oxygen-generating facility incorporating several innovative features that not only save money and energy, but reduce noise; design improvements in 36 new final clarifiers to enhance settling and provide high effluent quality; and egg-shaped digesters to respond to technical and aesthetic design parameters.

  2. Endoscopic full-thickness resection: Current status

    PubMed Central

    Schmidt, Arthur; Meier, Benjamin; Caca, Karel

    2015-01-01

    Conventional endoscopic resection techniques such as endoscopic mucosal resection or endoscopic submucosal dissection are powerful tools for treatment of gastrointestinal neoplasms. However, those techniques are restricted to superficial layers of the gastrointestinal wall. Endoscopic full-thickness resection (EFTR) is an evolving technique, which is just about to enter clinical routine. It is not only a powerful tool for diagnostic tissue acquisition but also has the potential to spare surgical therapy in selected patients. This review will give an overview about current EFTR techniques and devices. PMID:26309354

  3. High-Fidelity Full System Simulations

    NASA Technical Reports Server (NTRS)

    Lytle, John K.

    2004-01-01

    High-fidelity full system simulations have the potential for revolutionizing the way complex systems, such as propulsion systems for aerospace vehicles, are designed, developed, manufactured, and operated. Significant time and cost savings will result from simulations that will resolve deleterious component interactions early in the design process. In addition, innovative new system configurations will result from the use of new tools that enable designers to challenge traditional rules and practices. The major challenges to developing and implementing high-fidelity systems simulations are in reducing the time and effort required to build, execute, and analyze data for the high complex simulations. In addition, large scale testing with unique instrumentation is required to validate the simulations. The solution to these problems reside in the application of advanced information technologies to assist the user to effectively manage, process, and synthesize the vast amount of data. The following presentation describes in more detail the benefits of high-fidelity full system simulations, the challenges to developing and implementing large scale simulations, and one approach that is being followed by the NASA Glenn Research Center to overcome these challenges. In addition, topics for discussion by the panel and audience are suggested.

  4. Full body powder antichip. Final report

    SciTech Connect

    1996-04-17

    Chipping is the major paint defect listed for automobile customer dissatisfaction. The improved chip resistance and smoother paint surfaces produced by full body powder antichip will result in greater customer satisfaction and greater demand for US-produced automobiles. Powder antichip contains virtually no solvent, thereby reducing the potential VOC emissions from Newark Assembly by more than 90 tons per year as compared to the solvent-borne material presently applied in most full body applications. Since Newark Assembly Plant is in a severe non-attainment air quality area, which must demonstrate a 15% reduction in emissions by 1996, projects such as this are crucial to the longevity of industry in this region. The liquid paint spray systems include incineration of the oven volatile organic compounds (VOC`s) at 1,500 F. Since there are minimal VOC`s in powder coatings and the only possible releases occur only during polymerization, incineration is not required. The associated annual savings resulting from the elimination of the incinerator utilized on the liquid spray system is 1.44 {times} 10{sup 10} BTU`s per unit installed. The annual cost savings is approximately $388 thousand, far below the original estimates.

  5. Five Possible Work Profiles for Full-Time Academic Advisors

    ERIC Educational Resources Information Center

    Steele, George

    2006-01-01

    Five potential work profiles for full-time academic advisors, based on the impact of technology, are proposed. The forces accelerating the impact of technology are identified, and the impact of emerging technologies on full-time advisor practice is discussed.

  6. Full Life Wind Turbine Gearbox Lubricating Fluids

    SciTech Connect

    Lutz, Glenn A.; Jungk, Manfred; Bryant, Jonathan J.; Lauer, Rebecca S.; Chobot, Anthony; Mayer, Tyler; Palmer, Shane; Kauffman, Robert E.

    2012-02-28

    the lubricating fluids performance under the most extreme conditions. The PAO Reference oil also passed its testing without any noticeable deterioration of the gear surface. However the PAO Reference oil was replaced midway through the progressive loading, as the lubricant was burned in an attempt to raise the sump temperature to the same levels as for the PFPE. Both materials experienced a decrease of viscosity during their respective run times. The viscosity index decreased for the PAO there while there was a slight increase for the PFPE. FZG laboratory gear tests and measurements of the drive motor's current during the full scale gear box trial were made to characterize the relative efficiency between the PFPE fluid and the PAO Reference oil. In the FZG laboratory efficiency test, the PFPE fluids show much higher churning losses due to their higher viscosity and density. The analysis seems to show that the efficiency correlates better to dynamic viscosity than any other of the measured metrics such as film thickness. In load stages where the load, speed and temperature are similar, the PFPE fluid has a greater film thickness and theoretical gear protection, but requires a larger current for the drive motor than the PAO. However in load stages where the film thickness is the same, the PFPE fluid's reduced dynamic viscosity gives it a slight efficiency advantage relative to the PAO reference oil. Ultimately, many factors such as temperature, rotational speed, and fluid viscosity combine in a complex fashion to influence the results. However, the PFPE's much lower change of viscosity with respect to temperature, allows variations in designing an optimum viscosity to balance efficiency versus gear protection. Economic analysis was done using Cost of Energy calculations. The results vary from 5.3% for a 'Likely Case' to 16.8% for a 'Best Case' scenario as potential cost improvement by using PFPE as the gearbox lubricating fluid. It is important to note the largest

  7. Full Scale Coated Fiber Neutron Detector Measurements

    SciTech Connect

    Kouzes, Richard T.; Ely, James H.; Erikson, Luke E.; Kernan, Warnick J.; Stromswold, David C.; Woodring, Mitchell L.

    2010-03-17

    Radiation portal monitors used for interdiction of illicit materials at borders include highly sensitive neutron detection systems. The main reason for having neutron detection capability is to detect fission neutrons from plutonium. The currently deployed radiation portal monitors (RPMs) from Ludlum and Science Applications International Corporation (SAIC) use neutron detectors based upon 3He-filled gas proportional counters, which are the most common large neutron detector. There is a declining supply of 3He in the world, and thus, methods to reduce the use of this gas in RPMs with minimal changes to the current system designs and sensitivity to cargo-borne neutrons are being investigated. Four technologies have been identified as being currently commercially available, potential alternative neutron detectors to replace the use of 3He in RPMs. These technologies are: 1) Boron trifluoride (BF3)-filled proportional counters, 2) Boron-lined proportional counters, 3) Lithium-loaded glass fibers, and 4) Coated non-scintillating plastic fibers. Reported here are the results of tests of the full-scale 6Li/ZnS(Ag)-coated non-scintillating plastic fibers option. This testing measured the required performance for neutron detection efficiency and gamma ray rejection capabilities of a system manufactured by Innovative American Technology (IAT) and Saint Gobain, and is a follow-up report to an earlier one on a smaller prototype system.

  8. Full waveform inversion for mechanized tunneling reconnaissance

    NASA Astrophysics Data System (ADS)

    Lamert, Andre; Musayev, Khayal; Lambrecht, Lasse; Friederich, Wolfgang; Hackl, Klaus; Baitsch, Matthias

    2016-04-01

    In mechanized tunnel drilling processes, exploration of soil structure and properties ahead of the tunnel boring machine can greatly help to lower costs and improve safety conditions during drilling. We present numerical full waveform inversion approaches in time and frequency domain of synthetic acoustic data to detect different small scale structures representing potential obstacles in front of the tunnel boring machine. With the use of sensitivity kernels based on the adjoint wave field in time domain and in frequency domain it is possible to derive satisfactory models with a manageable amount of computational load. Convergence to a suitable model is assured by the use of iterative model improvements and gradually increasing frequencies. Results of both, time and frequency approach, will be compared for different obstacle and source/receiver setups. They show that the image quality strongly depends on the used receiver and source positions and increases significantly with the use of transmission waves due to the installed receivers and sources at the surface and/or in bore holes. Transmission waves lead to clearly identified structure and position of the obstacles and give satisfactory guesses for the wave speed. Setups using only reflected waves result in blurred objects and ambiguous position of distant objects and allow to distinguish heterogeneities with higher or lower wave speed, respectively.

  9. Composite hull for full-ocean depth

    SciTech Connect

    Garvey, R.E.; Hawkes, G.S.

    1990-01-01

    A lightweight and economical modular design concept for a manned submersible is proposed to give two passengers repeated access to the deepest parts of the ocean in a safe, comfortable, and efficient manner. This versatile craft will allow work and exploration to be accomplished at moderate to maximum depths without any compromise in terms of capabilities or operating cost. Its design follows the experience acquired from the numerous existing minimum volume'' pressure hull submersible, and represents a radical departure from conventional designs. This paper addresses issues of gaining effective, safe working access for full ocean depth. Cylindrical composite hulls have the potential to achieve positive buoyancy sufficient to carry personnel and equipment swiftly back to the surface after completing exploration of the deepest ocean. Buoyancy for a submersible is similar to lift for an airplane, except that without lift, the airplane remains on the surface, but without buoyancy, the submersible never returns to the surface. There are two means of achieving buoyancy. The traditional method used to steel, titanium, or aluminium alloy deep-ocean vehicles is to add a very large buoy to compensate for the negative buoyancy of the hull. The alternate method is for the hull to displace more than its weight in water. This requires at least twice compression strength per unit mass of hull than steel, titanium, or aluminum alloys can provide. Properly constructed organic-matrix composites are light and strong enough to form a dry, 1-atm cabin with buoyancy to carry research staff and equipment to any depth in the ocean. Three different composite hull configurations are presented. Each is capable of serving as a cabin for a two-person crew. None would displace more than 4 tons of seawater. 30 refs., 3 figs., 1 tab.

  10. Academic Journal Embargoes and Full Text Databases.

    ERIC Educational Resources Information Center

    Brooks, Sam

    2003-01-01

    Documents the reasons for embargoes of academic journals in full text databases (i.e., publisher-imposed delays on the availability of full text content) and provides insight regarding common misconceptions. Tables present data on selected journals covering a cross-section of subjects and publishers and comparing two full text business databases.…

  11. Wavefield Compression for Full-Waveform Inversion

    NASA Astrophysics Data System (ADS)

    Boehm, Christian; Fichtner, Andreas; de la Puente, Josep; Hanzich, Mauricio

    2015-04-01

    We present compression techniques tailored to iterative nonlinear minimization methods that significantly reduce the memory requirements to store the forward wavefield for the computation of sensitivity kernels. Full-waveform inversion on 3d data sets requires massive computing and memory capabilities. Adjoint techniques offer a powerful tool to compute the first and second derivatives. However, due to the asynchronous nature of forward and adjoint simulations, a severe bottleneck is introduced by the necessity to access both wavefields simultaneously when computing sensitivity kernels. There exist two opposing strategies to deal with this challenge. On the one hand, conventional approaches save the whole forward wavefield to the disk, which yields a significant I/O overhead and might require several terabytes of storage capacity per seismic event. On the other hand, checkpointing techniques allow to trade an almost arbitrary amount of memory requirements for a - potentially large - number of additional forward simulations. We propose an alternative approach that strikes a balance between memory requirements and the need for additional computations. Here, we aim at compressing the forward wavefield in such a way that (1) the I/O overhead is reduced substantially without the need for additional simulations, (2) the costs for compressing/decompressing the wavefield are negligible, and (3) the approximate derivatives resulting from the compressed forward wavefield do not affect the rate of convergence of a Newton-type minimization method. To this end, we apply an adaptive re-quantization of the displacement field that uses dynamically adjusted floating-point accuracies - i.e., a locally varying number of bits - to store the data. Furthermore, the spectral element functions are adaptively downsampled to a lower polynomial degree. In addition, a sliding-window cubic spline re-interpolates the temporal snapshots to recover a smooth signal. Moreover, a preprocessing step

  12. Primary Care Sports Medicine: A Full-Timer's Perspective.

    ERIC Educational Resources Information Center

    Moats, William E.

    1988-01-01

    This article describes the history and structure of a sports medicine facility, the patient care services it offers, and the types of injuries treated at the center. Opportunities and potentials for physicians who wish to enter the field of sports medicine on a full-time basis are described, as are steps to take to prepare to do so. (Author/JL)

  13. Where Full-Text Is Viable.

    ERIC Educational Resources Information Center

    Cotton, P. L.

    1987-01-01

    Defines two types of online databases: source, referring to those intended to be complete in themselves, whether full-text or abstracts; and bibliographic, meaning those that are not complete. Predictions are made about the future growth rate of these two types of databases, as well as full-text versus abstract databases. (EM)

  14. The Weaknesses of Full-Text Searching

    ERIC Educational Resources Information Center

    Beall, Jeffrey

    2008-01-01

    This paper provides a theoretical critique of the deficiencies of full-text searching in academic library databases. Because full-text searching relies on matching words in a search query with words in online resources, it is an inefficient method of finding information in a database. This matching fails to retrieve synonyms, and it also retrieves…

  15. About Reformulation in Full-Text IRS.

    ERIC Educational Resources Information Center

    Debili, Fathi; And Others

    1989-01-01

    Analyzes different kinds of reformulations used in information retrieval systems where full text databases are accessed through natural language queries. Tests of these reformulations on large full text databases managed by the Syntactic and Probabilistic Indexing and Retrieval of Information in Texts (SPIRIT) system are described, and an expert…

  16. Why Online Education Will Attain Full Scale

    ERIC Educational Resources Information Center

    Sener, John

    2010-01-01

    Online higher education has attained scale and is poised to take the next step in its growth. Although significant obstacles to a full scale adoption of online education remain, we will see full scale adoption of online higher education within the next five to ten years. Practically all higher education students will experience online education in…

  17. Full inclusion and students with autism.

    PubMed

    Mesibov, G B; Shea, V

    1996-06-01

    The concept of "full inclusion" is that students with special needs can and should be educated in the same settings as their normally developing peers with appropriate support services, rather than being placed in special education classrooms or schools. According to advocates the benefits of full inclusion are increased expectations by teachers, behavioral modeling of normally developing peers, more learning, and greater self-esteem. Although the notion of full inclusion has appeal, especially for parents concerned about their children's rights, there is very little empirical evidence for this approach, especially as it relates to children with autism. This manuscript addresses the literature on full inclusion and its applicability for students with autism. Although the goals and values underlying full inclusion are laudable, neither the research literature nor thoughtful analysis of the nature of autism supports elimination of smaller, highly structured learning environments for some students with autism. PMID:8792264

  18. Automated Simplification of Full Chemical Mechanisms

    NASA Technical Reports Server (NTRS)

    Norris, A. T.

    1997-01-01

    A code has been developed to automatically simplify full chemical mechanisms. The method employed is based on the Intrinsic Low Dimensional Manifold (ILDM) method of Maas and Pope. The ILDM method is a dynamical systems approach to the simplification of large chemical kinetic mechanisms. By identifying low-dimensional attracting manifolds, the method allows complex full mechanisms to be parameterized by just a few variables; in effect, generating reduced chemical mechanisms by an automatic procedure. These resulting mechanisms however, still retain all the species used in the full mechanism. Full and skeletal mechanisms for various fuels are simplified to a two dimensional manifold, and the resulting mechanisms are found to compare well with the full mechanisms, and show significant improvement over global one step mechanisms, such as those by Westbrook and Dryer. In addition, by using an ILDM reaction mechanism in a CID code, a considerable improvement in turn-around time can be achieved.

  19. Full employment maintenance in the private sector

    NASA Technical Reports Server (NTRS)

    Young, G. A.

    1976-01-01

    Operationally, full employment can be accomplished by applying modern computer capabilities, game and decision concepts, and communication feedback possibilities, rather than accepted economic tools, to the problem of assuring invariant full employment. The government must provide positive direction to individual firms concerning the net number of employees that each firm must hire or refrain from hiring to assure national full employment. To preserve free enterprise and the decision making power of the individual manager, this direction must be based on each private firm's own numerical employment projections.

  20. Live a Full Life with Fibro

    MedlinePlus

    ... Live a Full Life with Fibro Page Content Fibromyalgia is a chronic pain condition that affects 10 ... family, you can live an active life with fibromyalgia. Talking with Your Physician Take the first step ...

  1. Astronaut Eileen Collins in Full Fuselage Trainer

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Astronaut Eileen M. Collins, pilot for the STS-63 mission, participates in STS-63 training at JSC's Shuttle mockup and integration laboratory. Collins is seated at the pilot's station in the Full Fuselage Trainer (FFT).

  2. JWST Full Scale Model Being Built

    NASA Video Gallery

    : The full-scale model of the James Webb Space Telescope is constructed for the 2010 World Science Festival in Battery Park, NY. The model takes about five days to construct. This video contains a ...

  3. Full CI benchmark calculations on CH3

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Taylor, Peter R.

    1987-01-01

    Full CI calculations have been performed on the CH3 radical. The full CI results are compared to those obtained using CASSCF/multireference CI and coupled-pair functional methods, both at the equilibrium CH distance and at geometries with the three CH bonds extended. In general, the performance of the approximate methods is similar to that observed in calculations on other molecules in which one or two bonds were stretched.

  4. Rat full term amniotic fluid harbors highly potent stem cells.

    PubMed

    Mun-Fun, Hoo; Ferdaos, Nurfarhana; Hamzah, Siti Nurusaadah; Ridzuan, Noridzzaida; Hisham, Nurul Afiqah; Abdullah, Syahril; Ramasamy, Rajesh; Cheah, Pike See; Thilakavathy, Karrupiah; Yazid, Mohd Nazri; Nordin, Norshariza

    2015-10-01

    Amniotic fluid stem cells (AFSCs) are commonly isolated from mid-term amniotic fluid (AF) of animals and human collected via an invasive technique, amniocentesis. Alternatively, AFSCs could be collected at full-term. However, it is unclear whether AFSCs are present in the AF at full term. Here, we aimed to isolate and characterize stem cells isolated from AF of full term pregnant rats. Three stem cell lines have been established following immuno-selection against the stem cell marker, c-kit. Two of the new lines expressed multiple markers of pluripotency until more than passage 90. Further, they spontaneously differentiated into derivatives of the three primary germ layers through the formation of good quality embryoid bodies (EBs), and can be directly differentiated into neural lineage. Their strong stemness and potent neurogenic properties highlight the presence of highly potent stem cells in AF of full-term pregnancies, which could serve as a potential source of stem cells for regenerative medicine.

  5. A full multigrid method for eigenvalue problems

    NASA Astrophysics Data System (ADS)

    Chen, Hongtao; Xie, Hehu; Xu, Fei

    2016-10-01

    In this paper, a full (nested) multigrid scheme is proposed to solve eigenvalue problems. The idea here is to use a correction method to transform the eigenvalue problem solving to a series of corresponding boundary value problem solving and eigenvalue problems defined on a very low-dimensional finite element space. The boundary value problems which are defined on a sequence of multilevel finite element spaces can be solved by some multigrid iteration steps. The computational work of this new scheme can reach the same optimal order as solving the corresponding boundary value problem by the full multigrid method. Therefore, this type of full multigrid method improves the overfull efficiency of the eigenvalue problem solving.

  6. Full-duplex optical communication system

    NASA Technical Reports Server (NTRS)

    Shay, Thomas M. (Inventor); Hazzard, David A. (Inventor); Horan, Stephen (Inventor); Payne, Jason A. (Inventor)

    2004-01-01

    A method of full-duplex electromagnetic communication wherein a pair of data modulation formats are selected for the forward and return data links respectively such that the forward data electro-magnetic beam serves as a carrier for the return data. A method of encoding optical information is used wherein right-hand and left-hand circular polarizations are assigned to optical information to represent binary states. An application for an earth to low earth orbit optical communications system is presented which implements the full-duplex communication and circular polarization keying modulation format.

  7. Are Full-Time MBAs Performing?

    ERIC Educational Resources Information Center

    Rowland, Caroline Ann; Hall, Roger David

    2012-01-01

    Full-time MBA students amount to about one-third of the 26,000 students enrolled on MBA programmes at UK universities. The programmes have become increasingly international in student composition and concerns have been expressed about performance, quality and comparability between programmes. Research into predictors of MBA success has been…

  8. Treatment of Childhood Encopresis: Full Cleanliness Training

    ERIC Educational Resources Information Center

    Arnold, Susan; Doleys, Daniel M.

    1975-01-01

    Full Cleanliness Training (a procedure in which the trainee is required to correct the results of inappropriate toileting behavior by cleaning himself and his clothing) was used in combination with positive reinforcement to deal with a trainable retarded 8 year old boy with encopresis and a toilet phobia. (Author/CL)

  9. Full Inclusion: The Least Restrictive Environment

    ERIC Educational Resources Information Center

    Mullings, Shirley E.

    2011-01-01

    The purpose of the phenomenological study was to examine elementary educators' perceptions of full inclusion as the least restrictive environment for students with disabilities. Thirty-six teachers and administrators participated in interviews and responded to multiple-choice survey items. The recorded data from the interviews were…

  10. Full Text Journal Subscriptions: An Evolutionary Process.

    ERIC Educational Resources Information Center

    Luther, Judy

    1997-01-01

    Provides an overview of companies offering Web accessible subscriptions to full text electronic versions of scientific, technical, and medical journals (Academic Press, Blackwell, EBSCO, Elsevier, Highwire Press, Information Quest, Institute of Physics, Johns Hopkins University Press, OCLC, OVID, Springer, and SWETS). Also lists guidelines for…

  11. Towards Full Employment in a Modern Society.

    ERIC Educational Resources Information Center

    Department for Education and Employment, London (England).

    This document outlines how the government of the United Kingdom intends to achieve and sustain full employment and social justice across the country. Chapter 1 discusses the United Kingdom's economic, educational, and social problems and details plans to solve them through a policy based on the following principles: (1) building an economy with…

  12. Full Disclosure: New and Responsible Attitudes.

    ERIC Educational Resources Information Center

    Arnold, Joanne E.

    Broad influences impinge upon the question of "full disclosure," a question that asks what information about the conduct of public affairs should be made available to the public. Increasingly, state laws require the disclosure of all information about the conduct of public business, the receipt and expenditure of public funds, and the outcomes of…

  13. Keeping Rural Schools up to Full Speed

    ERIC Educational Resources Information Center

    Beesley, Andrea

    2011-01-01

    Rural schools are long accustomed to meeting challenges in innovative ways. For them, the challenge is not so much a lack of technology as it is adequate internet access, which affects both teachers and students. In this article, the author discusses how to keep rural schools up to full speed. The author suggests that the best approach when…

  14. Full and Partial Cloaking in Electromagnetic Scattering

    NASA Astrophysics Data System (ADS)

    Deng, Youjun; Liu, Hongyu; Uhlmann, Gunther

    2016-08-01

    In this paper, we consider two regularized transformation-optics cloaking schemes for electromagnetic (EM) waves. Both schemes are based on the blowup construction with the generating sets being, respectively, a generic curve and a planar subset. We derive sharp asymptotic estimates in assessing the cloaking performances of the two constructions in terms of the regularization parameters and the geometries of the cloaking devices. The first construction yields an approximate full-cloak, whereas the second construction yields an approximate partial-cloak. Moreover, by incorporating properly chosen conducting layers, both cloaking constructions are capable of nearly cloaking arbitrary EM contents. This work complements the existing results in Ammari et al. (SIAM J Appl Math 73:2055-2076, 2013), Bao and Liu (SIAM J Appl Math 74:724-742, 2014), Bao et al. (J Math Pure Appl (9) 101:716-733, 2014) on approximate EM cloaks with the generating set being a singular point, and it also extends Deng et al. (On regularized full- and partial-cloaks in acoustic scat- tering. Preprint, arXiv:1502.01174, 2015), Li et al. (Commun Math Phys, 335:671-712, 2015) on regularized full and partial cloaks for acoustic waves governed by the Helmholtz system to the more challenging EM case governed by the full Maxwell system.

  15. Strontium Removal: Full-Scale Ohio Demonstrations

    EPA Science Inventory

    The objectives of this presentation are to present a brief overview of past bench-scale research to evaluate the impact lime softening on strontium removal from drinking water and present full-scale drinking water treatment studies to impact of lime softening and ion exchange sof...

  16. Aircraft Engineering Conference 1934 - Full Scale Tunnel

    NASA Technical Reports Server (NTRS)

    1934-01-01

    Gathered together in the only facility big enough to hold them, attendees at Langleys 1934 aircraft Engineering Conference pose in the Full Scale Wind Tunnel underneath a Boeing P-26A Peashooter. Present, among other notables, were Orville Wright, Charles Lindbergh, and Howard Hughes.

  17. Astronaut Eileen Collins in Full Fuselage Trainer

    NASA Technical Reports Server (NTRS)

    1993-01-01

    Astronaut Eileen M. Collins, pilot for the STS-63 mission, participates in STS-63 training at JSC's Shuttle mockup and integration laboratory. Collins is seated at the pilot's station in the Full Fuselage Trainer (FFT) (48403-4); Collins looks out the aft flight deck window in the Shuttle mockup trainer (48405).

  18. Reconfigurable Full-Page Braille Displays

    NASA Technical Reports Server (NTRS)

    Garner, H. Douglas

    1994-01-01

    Electrically actuated braille display cells of proposed type arrayed together to form full-page braille displays. Like other braille display cells, these provide changeable patterns of bumps driven by digitally recorded text stored on magnetic tapes or in solid-state electronic memories. Proposed cells contain electrorheological fluid. Viscosity of such fluid increases in strong electrostatic field.

  19. The case for full practice authority.

    PubMed

    Holmes, Olivia; Kinsey-Weathers, Shanieka

    2016-03-01

    The Institute of Medicine (IOM) recommended in its 2010 report on the future of nursing that advanced practice registered nurses (APRNs) should factor prominently in providing care to the millions of Americans who access healthcare services under the Affordable Care Act (ACA). The IOM also recommended that APRNs practice to the full extent of their education and training.However, many states have laws in place that limit full practice authority for APRNs, specifically NPs, in providing basic health services such as primary care. These laws place restrictions on independent practice and Medicaid and Medicare reimbursement, which prevent nurses from “responding effectively to rapidly changing health care settings and an evolving health care system.” Less than half of the United States has adopted full practice authority licensure and practice laws (see APRN practice authority at a glance). This article discusses how the primary care needs of millions of Americans can be met by granting full practice authority to APRNs nationwide and provides evidence to support the high level of care these practitioners can provide independently. PMID:26910092

  20. Community Schools: A Full-Spectrum Resource

    ERIC Educational Resources Information Center

    Govmez, David; Gonzales, Lisa; Niebuhr, Deanna; Villarreal, Lisa

    2012-01-01

    Meeting the needs of the whole child is the goal of community schools, which partner with other agencies to offer a range of services and opportunities. In this article the authors discuss community schools as a full-spectrum resource for families and children, and give an example of how community schools are able to provide for the needs of…

  1. Generalized Full-Information Item Bifactor Analysis

    ERIC Educational Resources Information Center

    Cai, Li; Yang, Ji Seung; Hansen, Mark

    2011-01-01

    Full-information item bifactor analysis is an important statistical method in psychological and educational measurement. Current methods are limited to single-group analysis and inflexible in the types of item response models supported. We propose a flexible multiple-group item bifactor analysis framework that supports a variety of…

  2. MAMA Full Field Sensitivity Monitor & PSF Check

    NASA Astrophysics Data System (ADS)

    Proffitt, Charles

    2009-07-01

    The purpose of this program is to monitor the sensitivity of the MAMAdetectors over the full field. This is achieved by observing globularcluster NGC6681 once during Cycle 17. The data can be directlycompared with similar data obtained in Cycles 7, 8, 9, 10, 11, and 12.

  3. Adaptive, full-spectrum solar energy system

    DOEpatents

    Muhs, Jeffrey D.; Earl, Dennis D.

    2003-08-05

    An adaptive full spectrum solar energy system having at least one hybrid solar concentrator, at least one hybrid luminaire, at least one hybrid photobioreactor, and a light distribution system operably connected to each hybrid solar concentrator, each hybrid luminaire, and each hybrid photobioreactor. A lighting control system operates each component.

  4. Renewable-Biomolecule-Based Full Lithium-Ion Batteries.

    PubMed

    Hu, Pengfei; Wang, Hua; Yang, Yun; Yang, Jie; Lin, Jie; Guo, Lin

    2016-05-01

    A renewable-biomolecule-based full lithium-ion battery is successfully fabricated for the first time. Naturally derivable emodin and humic acid based electrodes are used as cathode and anode, respectively. The as-assembled batteries exhibit superb specific capacity and substantial operating voltage capable of powering a wearable electronic watch, suggesting the great potential for practical applications with the significant merits of sustainability and biocompatibility.

  5. Ultralow Thermal Conductivity in Full Heusler Semiconductors.

    PubMed

    He, Jiangang; Amsler, Maximilian; Xia, Yi; Naghavi, S Shahab; Hegde, Vinay I; Hao, Shiqiang; Goedecker, Stefan; Ozoliņš, Vidvuds; Wolverton, Chris

    2016-07-22

    Semiconducting half and, to a lesser extent, full Heusler compounds are promising thermoelectric materials due to their compelling electronic properties with large power factors. However, intrinsically high thermal conductivity resulting in a limited thermoelectric efficiency has so far impeded their widespread use in practical applications. Here, we report the computational discovery of a class of hitherto unknown stable semiconducting full Heusler compounds with ten valence electrons (X_{2}YZ, X=Ca, Sr, and Ba; Y=Au and Hg; Z=Sn, Pb, As, Sb, and Bi) through high-throughput ab initio screening. These new compounds exhibit ultralow lattice thermal conductivity κ_{L} close to the theoretical minimum due to strong anharmonic rattling of the heavy noble metals, while preserving high power factors, thus resulting in excellent phonon-glass electron-crystal materials.

  6. Ultralow Thermal Conductivity in Full Heusler Semiconductors.

    PubMed

    He, Jiangang; Amsler, Maximilian; Xia, Yi; Naghavi, S Shahab; Hegde, Vinay I; Hao, Shiqiang; Goedecker, Stefan; Ozoliņš, Vidvuds; Wolverton, Chris

    2016-07-22

    Semiconducting half and, to a lesser extent, full Heusler compounds are promising thermoelectric materials due to their compelling electronic properties with large power factors. However, intrinsically high thermal conductivity resulting in a limited thermoelectric efficiency has so far impeded their widespread use in practical applications. Here, we report the computational discovery of a class of hitherto unknown stable semiconducting full Heusler compounds with ten valence electrons (X_{2}YZ, X=Ca, Sr, and Ba; Y=Au and Hg; Z=Sn, Pb, As, Sb, and Bi) through high-throughput ab initio screening. These new compounds exhibit ultralow lattice thermal conductivity κ_{L} close to the theoretical minimum due to strong anharmonic rattling of the heavy noble metals, while preserving high power factors, thus resulting in excellent phonon-glass electron-crystal materials. PMID:27494488

  7. Full-resolution interferometric SAR processing

    NASA Astrophysics Data System (ADS)

    Rogers, George W.; Breitenstein, Darryl S.; Roth, Duane; Mansfield, Arthur W.; Rais, Houra

    2000-08-01

    In this paper we present our approach to full resolution IFSAR processing that retains full azimuth and range resolution for a significant fraction of the pixels. This is accomplished through the use of statistical analysis and nonlinear smoothing in conjunction with limited spectral extrapolation. In our approach, a significant fraction of the pixels retain their original phase values all of the way through the processing. At the same time, we are able to reduce the number of residues by several orders of magnitude. An additional benefit of this approach is the ability to detect and discriminate between complete decorrelation due to large bodies of water and partial decorrelation due to foliage. The approach will be presented along with examples based on ERS tandem pair data.

  8. Ultralow Thermal Conductivity in Full Heusler Semiconductors

    NASA Astrophysics Data System (ADS)

    He, Jiangang; Amsler, Maximilian; Xia, Yi; Naghavi, S. Shahab; Hegde, Vinay I.; Hao, Shiqiang; Goedecker, Stefan; OzoliĆš, Vidvuds; Wolverton, Chris

    2016-07-01

    Semiconducting half and, to a lesser extent, full Heusler compounds are promising thermoelectric materials due to their compelling electronic properties with large power factors. However, intrinsically high thermal conductivity resulting in a limited thermoelectric efficiency has so far impeded their widespread use in practical applications. Here, we report the computational discovery of a class of hitherto unknown stable semiconducting full Heusler compounds with ten valence electrons (X2Y Z , X =Ca , Sr, and Ba; Y =Au and Hg; Z =Sn , Pb, As, Sb, and Bi) through high-throughput ab initio screening. These new compounds exhibit ultralow lattice thermal conductivity κL close to the theoretical minimum due to strong anharmonic rattling of the heavy noble metals, while preserving high power factors, thus resulting in excellent phonon-glass electron-crystal materials.

  9. Full-scale studies of alum recovery

    SciTech Connect

    1988-01-01

    Full-scale testing was conducted at the Williams Water Treatment Plant to evaluate alum recovery. Two tests were conducted, one in August and one is September. The objective was to determine the dewaterability of the solids remaining after alum recovery on sand drying beds and to evaluate the effectiveness of the recovered alum as a coagulant in the water plant and for phosphorus removal at the wastewater plant.

  10. On Boolean matrices with full factor rank

    SciTech Connect

    Shitov, Ya

    2013-11-30

    It is demonstrated that every (0,1)-matrix of size n×m having Boolean rank n contains a column with at least √n/2−1 zero entries. This bound is shown to be asymptotically optimal. As a corollary, it is established that the size of a full-rank Boolean matrix is bounded from above by a function of its tropical and determinantal ranks. Bibliography: 16 titles.

  11. Laser Resurfacing: Full Field and Fractional.

    PubMed

    Pozner, Jason N; DiBernardo, Barry E

    2016-07-01

    Laser resurfacing is a very popular procedure worldwide. Full field and fractional lasers are used in many aesthetic practices. There have been significant advances in laser resurfacing in the past few years, which make patient treatments more efficacious and with less downtime. Erbium and carbon dioxide and ablative, nonablative, and hybrid fractional lasers are all extremely effective and popular tools that have a place in plastic surgery and dermatology offices. PMID:27363765

  12. Full Duplex, Spread Spectrum Radio System

    NASA Technical Reports Server (NTRS)

    Harvey, Bruce A.

    2000-01-01

    The goal of this project was to support the development of a full duplex, spread spectrum voice communications system. The assembly and testing of a prototype system consisting of a Harris PRISM spread spectrum radio, a TMS320C54x signal processing development board and a Zilog Z80180 microprocessor was underway at the start of this project. The efforts under this project were the development of multiple access schemes, analysis of full duplex voice feedback delays, and the development and analysis of forward error correction (FEC) algorithms. The multiple access analysis involved the selection between code division multiple access (CDMA), frequency division multiple access (FDMA) and time division multiple access (TDMA). Full duplex voice feedback analysis involved the analysis of packet size and delays associated with full loop voice feedback for confirmation of radio system performance. FEC analysis included studies of the performance under the expected burst error scenario with the relatively short packet lengths, and analysis of implementation in the TMS320C54x digital signal processor. When the capabilities and the limitations of the components used were considered, the multiple access scheme chosen was a combination TDMA/FDMA scheme that will provide up to eight users on each of three separate frequencies. Packets to and from each user will consist of 16 samples at a rate of 8,000 samples per second for a total of 2 ms of voice information. The resulting voice feedback delay will therefore be 4 - 6 ms. The most practical FEC algorithm for implementation was a convolutional code with a Viterbi decoder. Interleaving of the bits of each packet will be required to offset the effects of burst errors.

  13. IRAC Full-Scale Flight Testbed Capabilities

    NASA Technical Reports Server (NTRS)

    Lee, James A.; Pahle, Joseph; Cogan, Bruce R.; Hanson, Curtis E.; Bosworth, John T.

    2009-01-01

    Overview: Provide validation of adaptive control law concepts through full scale flight evaluation in a representative avionics architecture. Develop an understanding of aircraft dynamics of current vehicles in damaged and upset conditions Real-world conditions include: a) Turbulence, sensor noise, feedback biases; and b) Coupling between pilot and adaptive system. Simulated damage includes 1) "B" matrix (surface) failures; and 2) "A" matrix failures. Evaluate robustness of control systems to anticipated and unanticipated failures.

  14. Towards a Full Waveform Ambient Noise Inversion

    NASA Astrophysics Data System (ADS)

    Sager, K.; Ermert, L. A.; Boehm, C.; Fichtner, A.

    2015-12-01

    Noise tomography usually works under the assumption that the inter-station ambient noise correlation is equal to a scaled version of the Green's function between the two receivers. This assumption, however, is only met under specific conditions, for instance, wavefield diffusivity and equipartitioning, zero attenuation, etc., that are typically not satisfied in the Earth. This inconsistency inhibits the exploitation of the full waveform information contained in noise correlations regarding Earth structure and noise generation. To overcome this limitation we attempt to develop a method that consistently accounts for noise distribution, 3D heterogeneous Earth structure and the full seismic wave propagation physics in order to improve the current resolution of tomographic images of the Earth. As an initial step towards a full waveform ambient noise inversion we develop a preliminary inversion scheme based on a 2D finite-difference code simulating correlation functions and on adjoint techniques. With respect to our final goal, a simultaneous inversion for noise distribution and Earth structure, we address the following two aspects: (1) the capabilities of different misfit functionals to image wave speed anomalies and source distribution and (2) possible source-structure trade-offs, especially to what extent unresolvable structure could be mapped into the inverted noise source distribution and vice versa.

  15. Structural and Thermoelectric Properties of Ternary Full-Heusler Alloys

    NASA Astrophysics Data System (ADS)

    Hayashi, K.; Eguchi, M.; Miyazaki, Y.

    2016-09-01

    The thermoelectric properties of ternary full-Heusler alloys, Co2 YZ, which are in a ferromagnetic state up to high temperature above 300 K, were measured and are discussed in terms of the crystal structure and electronic states. Among the full-Heusler alloys studied, the Co2MnSi sample exhibited the highest absolute value of Seebeck coefficient and also the highest electrical conductivity in the temperature range from 300 K to 1023 K. The highest power factor of 2.9 × 10-3 W/m-K2 was obtained for the Co2MnSi sample at 550 K, demonstrating the potential of half-metallic full-Heusler alloys as thermoelectric materials.

  16. Information Technology Assessment Study: Full Report

    NASA Technical Reports Server (NTRS)

    Peterson, John (Editor)

    2002-01-01

    A team was formed to assess NASA Office of Space Science (OSS) information technology research and development activities. These activities were reviewed for their relevance to OSS missions, for their potential for using products better supplied by industry or other government agencies, and for recommending an information technology (IT) infusion strategy for appropriate products for OSS missions. Assessment scope and methodology are presented. IT needs and interests for future OSS missions and current NASA IT research and development (R&D) are discussed. Non-NASA participants provide overviews of some of their IT R&D programs. Implementation and infusion issues and the findings and recommendations of the assessment team are presented.

  17. Full Waveform Inversion with Optimal Basis Functions

    NASA Astrophysics Data System (ADS)

    Sun, Gang; Chang, Qianshun; Sheng, Ping

    2003-03-01

    Based on the approach suggested by Tarantola, and Gauthier etal., we show that the alternate use of the step (linear) function basis and the block function (quasi-δ function) basis can give accurate full waveform inversion results for the layered acoustic systems, starting from a uniform background. Our method is robust against additive white noise (up to 20% of the signal) and can resolve layers that are comparable to or smaller than a wavelength in thickness. The physical reason for the success of our approach is illustrated through a simple example.

  18. Full spectrum analysis in environmental monitoring.

    PubMed

    Reinhardt, Sascha

    2014-08-01

    In environmental radiation monitoring, the time-variable natural gamma radiation background complicates the nuclide identification and analysis of a gamma spectrum. A full spectrum analysis based on the noise adjusted singular value decomposition method for the description of the time-variable background and adjustment calculations is a possible analysis method, which may provide advantages compared with a peak-based analysis, if applied to a time series of gamma spectra. An analysis example is shown and discussed with a measured time series of gamma spectra obtained from a spectroscopic gamma detector with a NaI(Tl) scintillator as it is used in the environmental radiation monitoring.

  19. Full-Scale Tests of NACA Cowlings

    NASA Technical Reports Server (NTRS)

    Theodorsen, Theodore; Brevoort, M J; Stickle, George W

    1937-01-01

    A comprehensive investigation has been carried on with full-scale models in the NACA 20-foot wind tunnel, the general purpose of which is to furnish information in regard to the physical functioning of the composite propeller-nacelle unit under all conditions of take-off, taxiing, and normal flight. This report deals exclusively with the cowling characteristics under condition of normal flight and includes the results of tests of numerous combinations of more than a dozen nose cowlings, about a dozen skirts, two propellers, two sizes of nacelle, as well as various types of spinners and other devices.

  20. Full spectrum millimeter-wave modulation.

    PubMed

    Macario, Julien; Yao, Peng; Shi, Shouyuan; Zablocki, Alicia; Harrity, Charles; Martin, Richard D; Schuetz, Christopher A; Prather, Dennis W

    2012-10-01

    In recent years, the development of new lithium niobate electro-optic modulator designs and material processing techniques have contributed to support the increasing need for faster optical networks by considerably extending the operational bandwidth of modulators. In an effort to provide higher bandwidths for future generations of networks, we have developed a lithium niobate electro-optic phase modulator based on a coplanar waveguide ridged structure that operates up to 300 GHz. By thinning the lithium niobate substrate down to less than 39 µm, we are able to eliminate substrate modes and observe optical sidebands over the full millimeter-wave spectrum.

  1. Full waveform inversion with optimal basis functions.

    PubMed

    Sun, Gang; Chang, Qianshun; Sheng, Ping

    2003-03-14

    Based on the approach suggested by Tarantola, and Gauthier et al., we show that the alternate use of the step (linear) function basis and the block function (quasi-delta function) basis can give accurate full waveform inversion results for the layered acoustic systems, starting from a uniform background. Our method is robust against additive white noise (up to 20% of the signal) and can resolve layers that are comparable to or smaller than a wavelength in thickness. The physical reason for the success of our approach is illustrated through a simple example.

  2. Lithium compensation for full cell operation

    DOEpatents

    Xiao, Jie; Zheng, Jianming; Chen, Xilin; Lu, Dongping; Liu, Jun; Jiguang, Jiguang

    2016-05-17

    Disclosed herein are embodiments of a lithium-ion battery system comprising an anode, an anode current collector, and a layer of lithium metal in contact with the current collector, but not in contact with the anode. The lithium compensation layer dissolves into the electrolyte to compensate for the loss of lithium ions during usage of the full cell. The specific placement of the lithium compensation layer, such that there is no direct physical contact between the lithium compensation layer and the anode, provides certain advantages.

  3. Suppressed carrier full-spectrum combining

    NASA Technical Reports Server (NTRS)

    Rogstad, D. H.

    1991-01-01

    A technique to accomplish full spectrum arraying where all the telemetry power is put into the subcarrier sidebands (suppressed carrier) is described. The matched filter needed in each antenna prior to cross correlation for deriving the coherence delay and phase offsets is an open loop version of the telemetry phase lock loop provided in the Advanced Digital Receiver. In analogy with a Costas loop telemetry receiver, a squaring loss is derived, and a signal to noise ratio for the cross correlation loop phase is presented.

  4. Suppressed carrier full-spectrum combining

    NASA Astrophysics Data System (ADS)

    Rogstad, D. H.

    1991-11-01

    A technique to accomplish full spectrum arraying where all the telemetry power is put into the subcarrier sidebands (suppressed carrier) is described. The matched filter needed in each antenna prior to cross correlation for deriving the coherence delay and phase offsets is an open loop version of the telemetry phase lock loop provided in the Advanced Digital Receiver. In analogy with a Costas loop telemetry receiver, a squaring loss is derived, and a signal to noise ratio for the cross correlation loop phase is presented.

  5. [Dogs, man-wolves and full moon].

    PubMed

    Goddemeier, Christof

    2002-06-01

    According to a study of the British Medical Journal in England the incidence of dog bites increases at the time of a full moon. The following article first passes the myths dealing with the werewolf. By changing from delinquent to patient during the Enlightenment the werewolf gets important to the history of medicine and psychiatry. From the anthropological point of view the so-called Lycorexia may be understood as an unconscious effort to undo evolution by transformation into beast. By the figure of the "Huckup" in recent variants concerning the werewolf subject a psychological turn of the legend is expressed.

  6. A full-scale STOVL ejector experiment

    NASA Technical Reports Server (NTRS)

    Barankiewicz, Wendy S.

    1993-01-01

    The design and development of thrust augmenting short take-off and vertical landing (STOVL) ejectors has typically been an iterative process. In this investigation, static performance tests of a full-scale vertical lift ejector were performed at primary flow temperatures up to 1560 R (1100 F). Flow visualization (smoke generators, yarn tufts and paint dots) was used to assess inlet flowfield characteristics, especially around the primary nozzle and end plates. Performance calculations are presented for ambient temperatures close to 480 R (20 F) and 535 R (75 F) which simulate 'seasonal' aircraft operating conditions. Resulting thrust augmentation ratios are presented as functions of nozzle pressure ratio and temperature. Full-scale experimental tests such as this are expensive, and difficult to implement at engine exhaust temperatures. For this reason the utility of using similarity principles -- in particular, the Munk and Prim similarity principle for isentropic flow -- was explored. At different primary temperatures, exit pressure contours are compared for similarity. A nondimensional flow parameter is then shown to eliminate primary nozzle temperature dependence and verify similarity between the hot and cold flow experiments. Under the assumption that an appropriate similarity principle can be established, then properly chosen performance parameters should be similar for both hot flow and cold flow model tests.

  7. Full length prototype SSC dipole test results

    SciTech Connect

    Strait, J.; Brown, B.C.; Carson, J.; Engler, N.; Fisk, H.E.; Hanft, R.; Koepke, K.; Kuchnir, M.; Larson, E.; Lundy, R.

    1987-04-24

    Results are presented from tests of the first full length prototype SSC dipole magnet. The cryogenic behavior of the magnet during a slow cooldown to 4.5K and a slow warmup to room temperature has been measured. Magnetic field quality was measured at currents up to 2000 A. Averaged over the body field all harmonics with the exception of b/sub 2/ and b/sub 8/ are at or within the tolerances specified by the SSC Central Design Group. (The values of b/sub 2/ and b/sub 8/ result from known design and construction defects which will be be corrected in later magnets.) Using an NMR probe the average body field strength is measured to be 10.283 G/A with point to point variations on the order of one part in 1000. Data are presented on quench behavior of the magnet up to 3500 A (approximately 55% of full field) including longitudinal and transverse velocities for the first 250 msec of the quench.

  8. NASA project 1: Full-body dynamometer

    NASA Technical Reports Server (NTRS)

    Lu, Li-Dai

    1993-01-01

    In space, where the body does only a fraction of work it does on earth, muscle atrophy is a major concern. The bones and the muscles will begin to deteriorate after a short stay in weightlessness. Bone decalcification appears to be a major problem with extensive living in microgravity. Resistance exercise is not only essential to prevent muscle atrophy in space, it also helps to keep bone decalcification in check. For a space station, where the astronauts are expected to live for months at a time, exercise is especially important. Experts recommend about an hour and a half to two hours of exercise per day to keep the muscles in good condition in microgravity. The exercises will not only keep the astronauts in excellent physical condition, it will also make it easier for them to readjust to earth's gravity on return. The stationary bicycle and the treadmill have been the astronauts' primary sources of exercise since the 1970's. The major problem with both the stationary bicycle and the treadmill is that while they may keep the leg muscles from deteriorating in microgravity, they do little for muscles in the upper body. The National Aeronautics and Space Administration (NASA) is currently developing a full-body dynamometer (FBD), which will provide the astronauts with a full-body workout. It will also test the astronauts for muscle atrophy and rehabilitate the weakened muscle. The specification and the function structure for the FBD is presented.

  9. Full-color holographic 3D printer

    NASA Astrophysics Data System (ADS)

    Takano, Masami; Shigeta, Hiroaki; Nishihara, Takashi; Yamaguchi, Masahiro; Takahashi, Susumu; Ohyama, Nagaaki; Kobayashi, Akihiko; Iwata, Fujio

    2003-05-01

    A holographic 3D printer is a system that produces a direct hologram with full-parallax information using the 3-dimensional data of a subject from a computer. In this paper, we present a proposal for the reproduction of full-color images with the holographic 3D printer. In order to realize the 3-dimensional color image, we selected the 3 laser wavelength colors of red (λ=633nm), green (λ=533nm), and blue (λ=442nm), and we built a one-step optical system using a projection system and a liquid crystal display. The 3-dimensional color image is obtained by synthesizing in a 2D array the multiple exposure with these 3 wavelengths made on each 250mm elementary hologram, and moving recording medium on a x-y stage. For the natural color reproduction in the holographic 3D printer, we take the approach of the digital processing technique based on the color management technology. The matching between the input and output colors is performed by investigating first, the relation between the gray level transmittance of the LCD and the diffraction efficiency of the hologram and second, by measuring the color displayed by the hologram to establish a correlation. In our first experimental results a non-linear functional relation for single and multiple exposure of the three components were found. These results are the first step in the realization of a natural color 3D image produced by the holographic color 3D printer.

  10. Epilepsy and Full-Thickness Burns

    PubMed Central

    Botan, A.

    2010-01-01

    Summary This paper presents various aspects of severe burns involving epileptic patients, who may suffer dramatic accidents during seizure attacks. Epileptics may fall onto an open fire or hot surface (e.g. a kitchen range) and they may upset containers full of boiling liquids, suffering deep burns and scalds. In our experience in this field, the most commonly affected body areas are the face and hands, the trunk, and the lower limbs. All such injuries are full-thickness burns, owing to the very long contact of the skin surface with the lesional agent. Three cases are presented of epileptics with severe burns who were admitted to the Burn Unit of Targu Mures Teaching Hospital, Romania, where they were hospitalized; conservative debridement using polyurethanefoam (PUR-foam) dressings was the standard procedure, which all the patients received. Split-thickness skin grafting was the final method for closing the granulating bed resulting from the conservative debridement. We have found that conservative debridement using PUR-foam dressings is a cheaper and more reliable alternative than sharp debridement (which may remove healthy tissue at the same time as burn eschars). PMID:21991200

  11. Wind Turbine Experiments at Full Dynamic Similarity

    NASA Astrophysics Data System (ADS)

    Miller, Mark; Kiefer, Janik; Westergaard, Carsten; Hultmark, Marcus

    2015-11-01

    Performing experiments with scaled-down wind turbines has traditionally been difficult due to the matching requirements of the two driving non-dimensional parameters, the Tip Speed Ratio (TSR) and the Reynolds number. Typically, full-size turbines must be used to provide the baseline cases for engineering models and computer simulations where flow similarity is required. We present a new approach to investigating wind turbine aerodynamics at full dynamic similarity by employing a high-pressure wind tunnel at Princeton University known as the High Reynolds number Test Facility (or HRTF). This facility allows for Reynolds numbers of up to 3 million (based on chord and velocity at the tip) while still matching the TSR, on a geometrically similar, small-scale model. The background development of this project is briefly presented including the design and manufacture of a model turbine. Following this the power, thrust and wake data are discussed, in particular the scaling dependence on the Reynolds number. Supported under NSF grant CBET-1435254 (program manager Gregory Rorrer).

  12. Full-field OCT: applications in ophthalmology

    NASA Astrophysics Data System (ADS)

    Grieve, Kate; Dubois, Arnaud; Paques, Michel; Le Gargasson, Jean-Francois; Boccara, Albert C.

    2005-04-01

    We present images of ocular tissues obtained using ultrahigh resolution full-field OCT. The experimental setup is based on the Linnik interferometer, illuminated by a tungsten halogen lamp. En face tomographic images are obtained in real-time without scanning by computing the difference of two phase-opposed interferometric images recorded by a high-resolution CCD camera. A spatial resolution of 0.7 μm × 0.9 μm (axial × transverse) is achieved thanks to the short source coherence length and the use of high numerical aperture microscope objectives. A detection sensitivity of 90 dB is obtained by means of image averaging and pixel binning. Whole unfixed eyes and unstained tissue samples (cornea, lens, retina, choroid and sclera) of ex vivo rat, mouse, rabbit and porcine ocular tissues were examined. The unprecedented resolution of our instrument allows cellular-level resolution in the cornea and retina, and visualization of individual fibers in the lens. Transcorneal lens imaging was possible in all animals, and in albino animals, transscleral retinal imaging was achieved. We also introduce our rapid acquisition full-field optical coherence tomography system designed to accommodate in vivo ophthalmologic imaging. The variations on the original system technology include the introduction of a xenon arc lamp as source, and rapid image acquisition performed by a high-speed CMOS camera, reducing acquisition time to 5 ms per frame.

  13. Curriculum Mapping and Research-Based Practice: Helping Students Find the Path to Full Potential

    ERIC Educational Resources Information Center

    Herbold, Jennifer

    2012-01-01

    Wiggins (2010) writes: "We tend to define teaching by measuring all the things a teacher is supposed to 'do' rather than all the things a teacher is supposed to 'accomplish'." When teachers think about what they need to do, they need to think about the expected results and how they can best support students in achieving those goals. As they face…

  14. College Women Still Face Many Obstacles in Reaching Their Full Potential

    ERIC Educational Resources Information Center

    Sax, Linda J.

    2007-01-01

    We have reached a critical juncture in the history of women and men in higher education. Today--decades after the women's movement started what became monumental gains for female students in terms of access, equity, and opportunity--the popular notion is that gender equity has been achieved. Some higher-education statistics do paint a rosy picture…

  15. The Spiritual Potential of Childhood: Awakening to the Fullness of Life

    ERIC Educational Resources Information Center

    King, Ursula

    2013-01-01

    To study children's spirituality at the beginning of the twenty-first century provides a prime opportunity for exploring the personal, social and global interconnections in the understanding and practice of spirituality. Countless definitions of spirituality have been suggested, yet it has also been said that spirituality escapes definition…

  16. Does in utero exposure of antiepileptic drugs lead to failure to reach full cognitive potential?

    PubMed

    McCorry, D; Bromley, R

    2015-05-01

    A clinical scenario of a young female on 800 mg of sodium valproate (VPA) who has recently failed lamotrigine (LTG) and levetiracetam (LEV) and who is currently planning a pregnancy is presented. Currently available data pertaining to the longer-term development of children exposed to antiepileptic drugs (AEDs) are reviewed along with considerations around the methodology and interpretation of such research. There is an accumulation of data highlighting significant risks associated with prenatal exposed to VPA, with the level of risk being mediated by dose. The majority of published evidence does not find a significant risk associated with carbamazepine (CBZ) exposure in utero for global cognitive abilities however the evidence for more specific cognitive skills are unclear. Limited data indicate that LTG may be a preferred treatment to VPA in terms of foetal outcome but further evidence is required. Too little data pertaining to LEV exposure is available and a lack of evidence regarding risk of this and other new AEDs should not be interpreted as evidence of safety. PMID:25819874

  17. Requirements for Realizing the Full Potential of Informatics in the Field of Health Care.

    ERIC Educational Resources Information Center

    Wittenstrom, John C.

    1991-01-01

    The paper proposes a zero concept, health-oriented approach to applying informatics to two health care problems: first, the lack of easily understood and used terminology linking health problems and interventions to the concept of "health"; and second, the lack of a unifying principle on which to base all aspects of health care. (DB)

  18. Towards Achieving the Full Clinical Potential of Proton Therapy by Inclusion of LET and RBE Models

    PubMed Central

    Jones, Bleddyn

    2015-01-01

    Despite increasing use of proton therapy (PBT), several systematic literature reviews show limited gains in clinical outcomes, with publications mostly devoted to recent technical developments. The lack of randomised control studies has also hampered progress in the acceptance of PBT by many oncologists and policy makers. There remain two important uncertainties associated with PBT, namely: (1) accuracy and reproducibility of Bragg peak position (BPP); and (2) imprecise knowledge of the relative biological effect (RBE) for different tissues and tumours, and at different doses. Incorrect BPP will change dose, linear energy transfer (LET) and RBE, with risks of reduced tumour control and enhanced toxicity. These interrelationships are discussed qualitatively with respect to the ICRU target volume definitions. The internationally accepted proton RBE of 1.1 was based on assays and dose ranges unlikely to reveal the complete range of RBE in the human body. RBE values are not known for human (or animal) brain, spine, kidney, liver, intestine, etc. A simple efficiency model for estimating proton RBE values is described, based on data of Belli et al. and other authors, which allows linear increases in α and β with LET, with a gradient estimated using a saturation model from the low LET α and β radiosensitivity parameter input values, and decreasing RBE with increasing dose. To improve outcomes, 3-D dose-LET-RBE and bio-effectiveness maps are required. Validation experiments are indicated in relevant tissues. Randomised clinical studies that test the invariant 1.1 RBE allocation against higher values in late reacting tissues, and lower tumour RBE values in the case of radiosensitive tumours, are also indicated. PMID:25790470

  19. Draft Genome Sequence of Antarctic Pseudomonas sp. Strain KG01 with Full Potential for Biotechnological Applications

    PubMed Central

    Pavlov, María S.; Lira, Felipe; Martínez, José L.; Olivares, Jorge

    2015-01-01

    We report here the draft genome sequence of a free-living psychrotolerant, Pseudomonas sp. strain KG01, isolated from an Antarctic soil sample and displaying interesting antimicrobial and surfactant activities. The sequence is 6.3 Mb long and includes 5,648 predicted-coding sequences. PMID:26294625

  20. Complementary shifts in photoreceptor spectral tuning unlock the full adaptive potential of ultraviolet vision in birds

    PubMed Central

    Toomey, Matthew B; Lind, Olle; Frederiksen, Rikard; Curley, Robert W; Riedl, Ken M; Wilby, David; Schwartz, Steven J; Witt, Christopher C; Harrison, Earl H; Roberts, Nicholas W; Vorobyev, Misha; McGraw, Kevin J; Cornwall, M Carter; Kelber, Almut; Corbo, Joseph C

    2016-01-01

    Color vision in birds is mediated by four types of cone photoreceptors whose maximal sensitivities (λmax) are evenly spaced across the light spectrum. In the course of avian evolution, the λmax of the most shortwave-sensitive cone, SWS1, has switched between violet (λmax > 400 nm) and ultraviolet (λmax < 380 nm) multiple times. This shift of the SWS1 opsin is accompanied by a corresponding short-wavelength shift in the spectrally adjacent SWS2 cone. Here, we show that SWS2 cone spectral tuning is mediated by modulating the ratio of two apocarotenoids, galloxanthin and 11’,12’-dihydrogalloxanthin, which act as intracellular spectral filters in this cell type. We propose an enzymatic pathway that mediates the differential production of these apocarotenoids in the avian retina, and we use color vision modeling to demonstrate how correlated evolution of spectral tuning is necessary to achieve even sampling of the light spectrum and thereby maintain near-optimal color discrimination. DOI: http://dx.doi.org/10.7554/eLife.15675.001 PMID:27402384

  1. Unlocking the Full Potential of Energy Efficiency in the United States

    SciTech Connect

    Choi Granade, Hannah; Creyts, Jon; Derkach., Anton; Farese, Philip; Nyquist., Scott; Ostrowski, Ken

    2009-07-01

    This report discusses the compelling benefits of energy efficiency and the reasons this energy resource warrants being a national priority. It identifies solution strategies, including those proven, piloted, or recently emerged, that could play a role in overcoming barriers.

  2. Exploitation of the full potential of PSI data for subsidence monitoring

    NASA Astrophysics Data System (ADS)

    Crosetto, M.; Devanthéry, N.; Cuevas-González, M.; Monserrat, O.; Crippa, B.

    2015-11-01

    Persistent Scatterer Interferometry (PSI) is a remote sensing technique used to measure and monitor land deformation from a stack of interferometric SAR images. The main products that can be derived using the PSI technique are the deformation maps and the time series of deformation. In this paper, an approach to apply the PSI technique to a stack of Sentinel-1 images is described. Moreover, the problems encountered during the processing are detailed and an explanation of how they were dealt with is provided. Finally, Sentinel-1 deformation maps and time series obtained over the metropolitan area of Mexico DF are shown.

  3. Full-Scale Tunnel (FST) model

    NASA Technical Reports Server (NTRS)

    1929-01-01

    Model of Full-Scale Tunnel (FST) under construction. On June 26, 1929, Elton W. Miller wrote to George W. Lewis proposing the construction of a model of the full-scale tunnel . 'The excellent energy ratio obtained in the new wind tunnel of the California Institute of Technology suggests that before proceeding with our full scale tunnel design, we ought to investigate the effect on energy ratio of such factors as: 1. Small included angle for the exit cone; 2. Carefully designed return passages of circular section as far as possible, without sudden changes in cross sections; 3. Tightness of walls. It is believed that much useful information can be obtained by building a model of about 1/16 scale, that is, having a closed throat of 2 ft. by 4 ft. The outside dimensions would be about 12 ft. by 25 ft. in plan and the height 4 ft. Two propellers will be required about 28 in. in diameter, each to be driven by direct current motor at a maximum speed of 4500 R.P.M. Provision can be made for altering the length of certain portions, particularly the exit cone, and possibly for the application of boundary layer control in order to effect satisfactory air flow. This model can be constructed in a comparatively short time, using 2 by 4 framing with matched sheathing inside, and where circular sections are desired they can be obtained by nailing sheet metal to wooden ribs, which can be cut on the band saw. It is estimated that three months will be required for the construction and testing of such a model and that the cost will be approximately three thousand dollars, one thousand dollars of which will be for the motors. No suitable location appears to exist in any of our present buildings, and it may be necessary to build it outside and cover it with a roof.' George Lewis responded immediately (June 27) granting the authority to proceed. He urged Langley to expedite construction and to employ extra carpenters if necessary. Funds for the model came from the FST project. In a 1979

  4. Full-Scale Tunnel (FST) model

    NASA Technical Reports Server (NTRS)

    1929-01-01

    Interior view of Full-Scale Tunnel (FST) model. On June 26, 1929, Elton W. Miller wrote to George W. Lewis proposing the construction of a model of the full-scale tunnel. 'The excellent energy ratio obtained in the new wind tunnel of the California Institute of Technology suggests that before proceeding with our full scale tunnel design, we ought to investigate the effect on energy ratio of such factors as: 1. small included angle for the exit cone; 2. carefully designed return passages of circular section as far as possible, without sudden changes in cross sections; 3. tightness of walls. It is believed that much useful information can be obtained by building a model of about 1/16 scale, that is, having a closed throat of 2 ft. by 4 ft. The outside dimensions would be about 12 ft. by 25 ft. in plan and the height 4 ft. Two propellers will be required about 28 in. in diameter, each to be driven by direct current motor at a maximum speed of 4500 R.P.M. Provision can be made for altering the length of certain portions, particularly the exit cone, and possibly for the application of boundary layer control in order to effect satisfactory air flow. This model can be constructed in a comparatively short time, using 2 by 4 framing with matched sheathing inside, and where circular sections are desired they can be obtained by nailing sheet metal to wooden ribs, which can be cut on the band saw. It is estimated that three months will be required for the construction and testing of such a model and that the cost will be approximately three thousand dollars, one thousand dollars of which will be for the motors. No suitable location appears to exist in any of our present buildings, and it may be necessary to build it outside and cover it with a roof.' George Lewis responded immediately (June 27) granting the authority to proceed. He urged Langley to expedite construction and to employ extra carpenters if necessary. Funds for the model came from the FST project. In a 1979

  5. X-38 Full Scale TPS Flight Qualification

    NASA Astrophysics Data System (ADS)

    Hilfer, G.

    2002-01-01

    The X-38 of NASA which is an experimental vehicle to prove crucial technologies of a future Crew Return Vehicle (CRV) for the International Space Station (ISS) will be equipped with a large number of newly developed components and systems. In particular, the thermal protection system of the most severely loaded surface areas such as the nose cap and the control surfaces represent a promising approach with respect to thermal endurance and re-usability aspects. The foremost nose section, the body flaps and a wing leading edge segment are all made from SiC-based fiber ceramics. Moreover, the body flap is an entire hot structure. The Nose Skirt Assembly and the Body Flap were developed and manufactured by German industry (MAN Technologie, DLR and ASTRIUM) within the frame of the national TETRA program. The Leading Edge Unit was developed and manufactured by MAN Technologie within the ESA-ARTP. As another effort within the TETRA program aimed at extending the national competence range, IABG developed and built a high-temperature test facility enabling full-scale flight qualification of thermal protection components. The main purpose of this facility was to allow application of all relevant load categories encountered during re-entry flight, i.e. thermal, mechanical and oxidative loads. The facility is in service since April 1999. Within the scope of the X-38 qualification tests the flexibility of the test facility could be demonstrated. Three full scale thermal protection components of X-38 which were very different in size, shape and test requirements were successfully flight qualified in the years 1999 - 2001. For all of the three components, namely the Leading Edge Unit, the Nose Skirt Assembly and the Body Flap, the time- dependent and locally variable temperature profiles of the re-entry flight had to be simulated in order to verify the structural integrity under thermal loads. Within these tests a superposition of the thermal loads with oxidative loads, with the

  6. Full chip correction of EUV design

    NASA Astrophysics Data System (ADS)

    Lorusso, G. F.; Hendrickx, E.; Fenger, G. L.; Niroomand, A.

    2010-04-01

    Extreme Ultraviolet Lithography (EUVL) is currently the most promising technology for advanced manufacturing nodes: it recently demonstrated the feasibility of 32nm and 22nm node devices, and pre-production tools are expected to be delivered by 2010. Generally speaking, EUVL is less in need of Optical Proximity Correction (OPC) as compared to 193nm lithography, and the device feasibility studies were indeed carried out with limited or no correction. However, a rigorous optical correction strategy and an appropriate Electronic Design Automation (EDA) infrastructure is critical to face the challenges of the 22nm node and beyond, and EUV-specific effects such as flare and shadowing have to be fully integrated in the correction flow and properly tested. This study aims to assess in detail the quality of a full chip optical correction for a EUV design, as well to discuss the available approaches to compensate for EUV-specific effects. Extensive data sets have been collected on the ASML EUV Alpha-Demo Tool (ADT) using the latest IMEC baseline resist Shin-Etsu SEVR59. In total about 1300 CD measurements at wafer level and 700 at mask level were used as input for model calibration and validation. The smallest feature size in the data set was 32nm. Both one-dimensional and two-dimensional structures through CD and pitch were measured. The mask used in this calibration exercise allowed the authors to modulate flare by varying tiling densities within the range expected in the final design. The OPC model was fitted and validated against the CD data collected on the EUV ADT. The shadowing effect was modeled by means of a single bias correction throughout the design. Horizontal and vertical features of different type through pitch and CD were used to calibrate the shadowing correction, and the extent of the validity of the single bias approach is discussed. In addition, the quality of the generated full-chip flare maps has been tested against experimental results, and the model

  7. Spectral analysis of the full gravity tensor

    NASA Astrophysics Data System (ADS)

    Rummel, R.; van Gelderen, M.

    1992-10-01

    It is shown that, when the five independent components of the gravity tensor are grouped into (Gamma-zz), (Gamma-xz, Gamma-yz), and (Gamma-xx - Gamma-yy, 2Gamma-xy) sets and expanded into an infinite series of pure-spin spherical harmonic tensors, it is possible to derive simple eigenvalue connections between these three sets and the spherical harmonic expansion of the gravity potential. The three eigenvalues are (n + 1)(n + 2), -(n + 2) sq rt of n(n + 1), and sq rt of (n - 1)n(n + 1)(n + 2). The joint ESA and NASA Aristoteles mission is designed to measure with high precision the tensor components Gamma-zz, Gamma-yz, and Gamma-yy, which will make it possible to determine the global gravity field in six months time with a high precision.

  8. Wavelets for full reconfigurable ECG acquisition system

    NASA Astrophysics Data System (ADS)

    Morales, D. P.; García, A.; Castillo, E.; Meyer-Baese, U.; Palma, A. J.

    2011-06-01

    This paper presents the use of wavelet cores for a full reconfigurable electrocardiogram signal (ECG) acquisition system. The system is compound by two reconfigurable devices, a FPGA and a FPAA. The FPAA is in charge of the ECG signal acquisition, since this device is a versatile and reconfigurable analog front-end for biosignals. The FPGA is in charge of FPAA configuration, digital signal processing and information extraction such as heart beat rate and others. Wavelet analysis has become a powerful tool for ECG signal processing since it perfectly fits ECG signal shape. The use of these cores has been integrated in the LabVIEW FPGA module development tool that makes possible to employ VHDL cores within the usual LabVIEW graphical programming environment, thus freeing the designer from tedious and time consuming design of communication interfaces. This enables rapid test and graphical representation of results.

  9. The SSC full cell prototype string test

    SciTech Connect

    Kraushaar, P.; Burgett, W.; Cromer, L.

    1994-11-01

    At the conclusion of the SSC half cell magnet string testing program. In February, 1993, the preliminary data analysis revealed that several substantive technical questions remained unresolved. These questions were: (1) could the high voltages to ground (>2 kV) measured during fault (quench) conditions be substantially reduced, (2) could the number of magnetic elements that became resistive (quenched) be controlled and (3) did the cryostats of the magnetic elements provide adequate insulation and isolation to meet designed refrigeration loads. To address these and other existing question a prototypical full cell of collider magnets (ten dipoles and two quadrupoles) was assembled and tested. At the conclusion of this testing there were definitive answers to most of the questions with numerical substantiation, the notable exception being the beat leak question. These answers and other results and issues are presented in this paper.

  10. Full scale upper surface blown flap noise

    NASA Technical Reports Server (NTRS)

    Heidelberg, L. J.; Homyak, L.; Jones, W. L.

    1975-01-01

    A highly noise suppressed TF 34 engine was used to investigate the noise of several powered lift configurations involving upper surface blown (USB) flaps. The configuration variables were nozzle type (i.e. slot and circular with deflector), flap chord length, and flap angle. The results of velocity surveys at both the nozzle exit and the flap trailing edge are also presented and used for correlation of the noise data. Configurations using a long flap design were 4 db quieter than a short flap typical of current trends in USB flap design. The lower noise for the long flap is attributed primarily to the greater velocity decay of the jet at the flap trailing edge. The full-scale data revealed substantially more quadrupole noise in the region near the deflected jet than observed in previous sub-scale tests.

  11. Full tip imaging in atom probe tomography.

    PubMed

    Du, Sichao; Burgess, Timothy; Loi, Shyeh Tjing; Gault, Baptiste; Gao, Qiang; Bao, Peite; Li, Li; Cui, Xiangyuan; Kong Yeoh, Wai; Tan, Hark Hoe; Jagadish, Chennupati; Ringer, Simon P; Zheng, Rongkun

    2013-01-01

    Atom probe tomography (APT) is capable of simultaneously revealing the chemical identities and three dimensional positions of individual atoms within a needle-shaped specimen, but suffers from a limited field-of-view (FOV), i.e., only the core of the specimen is effectively detected. Therefore, the capacity to analyze the full tip is crucial and much desired in cases that the shell of the specimen is also the region of interest. In this paper, we demonstrate that, in the analysis of III-V nanowires epitaxially grown from a substrate, the presence of the flat substrate positioned only micrometers away from the analyzed tip apex alters the field distribution and ion trajectories, which provides extra image compression that allows for the analysis of the entire specimen. An array of experimental results, including field desorption maps, elemental distributions, and crystallographic features clearly demonstrate the fact that the whole tip has been imaged, which is confirmed by electrostatic simulations.

  12. Full randomness from arbitrarily deterministic events

    NASA Astrophysics Data System (ADS)

    Gallego, Rodrigo; Masanes, Lluis; de la Torre, Gonzalo; Dhara, Chirag; Aolita, Leandro; Acín, Antonio

    2013-10-01

    Do completely unpredictable events exist? Classical physics excludes fundamental randomness. Although quantum theory makes probabilistic predictions, this does not imply that nature is random, as randomness should be certified without relying on the complete structure of the theory being used. Bell tests approach the question from this perspective. However, they require prior perfect randomness, falling into a circular reasoning. A Bell test that generates perfect random bits from bits possessing high—but less than perfect—randomness has recently been obtained. Yet, the main question remained open: does any initial randomness suffice to certify perfect randomness? Here we show that this is indeed the case. We provide a Bell test that uses arbitrarily imperfect random bits to produce bits that are, under the non-signalling principle assumption, perfectly random. This provides the first protocol attaining full randomness amplification. Our results have strong implications onto the debate of whether there exist events that are fully random.

  13. The {Lambda}(1405) in Full QCD

    SciTech Connect

    Menadue, Benjamin J.; Kamleh, Waseem; Leinweber, Derek B.; Mahbub, M. Selim

    2011-12-14

    At 1405.1 MeV, the lowest-lying negative-parity state of the {Lambda} baryon lies surprising low. Indeed, this is lower than the lowest negative-parity state of the nucleon, even though the {Lambda}(1405) possesses a valence strange quark. However, previous Lattice QCD studies have been unable to identify such a low-lying state. Using the PACS-CS (2+1)-flavour full-QCD ensembles, available through the ILDG, we utilise a variational analysis with source and sink smearing to isolate this elusive state. We find three low-lying odd-parity states, and for the first time reproduce the correct level ordering with respect to the nearby scattering thresholds.

  14. The fullness of empathy: reflections and illustrations.

    PubMed

    Peloquin, S M

    1995-01-01

    Seven core values are said to undergird the profession of occupational therapy, with empathy serving as a hallmark of one of those values-personal dignity. This inquiry explores the meaning of empathy within a practice that holds occupation at its center. The literature on empathy in both philosophy and the behavioral sciences yields cogent thoughts about the fullness of empathy and its characteristics actions. The Healing Heart, the biography of a pioneer therapist, Ora Ruggles, shows the manner in which occupational therapists can be empathic in their practice. These reflections and illustrations serve to sharpen the vision of occupational therapists as persons who reach for both the hands and the hearts of others.

  15. Full-disk view of Titania

    NASA Technical Reports Server (NTRS)

    1986-01-01

    Voyager 2 obtained this full-disk view of Uranus' moon Titania in the early morning hours of Jan. 24, 1986, from a distance of about 500,000 kilometers (300,000 miles). Many circular depressions -- probably impact craters -- are visible in this clear-filter image returned by the Voyager narrow-angle camera. Other bright spots are distinguished by radiating rays and are probably halo craters that mark relatively more recent impacts. Even more interesting are linear troughs (right) that are probably fault canyons. The troughs break the crust in two directions, an indication of some tectonic extension of Titania's crust. These features indicate that this icy satellite has a dynamic, active interior. Titania is about 1,600 km (1,000 mi) in diameter; the resolution of this image is about 9 km (6 mi). The Voyager project is managed for NASA by the Jet Propulsion Laboratory.

  16. Full Spatial Resolution Infrared Sounding Application in the Preconvection Environment

    NASA Astrophysics Data System (ADS)

    Liu, C.; Liu, G.; Lin, T.

    2013-12-01

    Advanced infrared (IR) sounders such as the Atmospheric Infrared Sounder (AIRS) and Infrared Atmospheric Sounding Interferometer (IASI) provide atmospheric temperature and moisture profiles with high vertical resolution and high accuracy in preconvection environments. The derived atmospheric stability indices such as convective available potential energy (CAPE) and lifted index (LI) from advanced IR soundings can provide critical information 1 ; 6 h before the development of severe convective storms. Three convective storms are selected for the evaluation of applying AIRS full spatial resolution soundings and the derived products on providing warning information in the preconvection environments. In the first case, the AIRS full spatial resolution soundings revealed local extremely high atmospheric instability 3 h ahead of the convection on the leading edge of a frontal system, while the second case demonstrates that the extremely high atmospheric instability is associated with the local development of severe thunderstorm in the following hours. The third case is a local severe storm that occurred on 7-8 August 2010 in Zhou Qu, China, which caused more than 1400 deaths and left another 300 or more people missing. The AIRS full spatial resolution LI product shows the atmospheric instability 3.5 h before the storm genesis. The CAPE and LI from AIRS full spatial resolution and operational AIRS/AMSU soundings along with Geostationary Operational Environmental Satellite (GOES) Sounder derived product image (DPI) products were analyzed and compared. Case studies show that full spatial resolution AIRS retrievals provide more useful warning information in the preconvection environments for determining favorable locations for convective initiation (CI) than do the coarser spatial resolution operational soundings and lower spectral resolution GOES Sounder retrievals. The retrieved soundings are also tested in a regional data assimilation WRF 3D-var system to evaluate the

  17. Full resolution hologram-like autostereoscopic display

    NASA Technical Reports Server (NTRS)

    Eichenlaub, Jesse B.; Hutchins, Jamie

    1995-01-01

    Under this program, Dimension Technologies Inc. (DTI) developed a prototype display that uses a proprietary illumination technique to create autostereoscopic hologram-like full resolution images on an LCD operating at 180 fps. The resulting 3D image possesses a resolution equal to that of the LCD along with properties normally associated with holograms, including change of perspective with observer position and lack of viewing position restrictions. Furthermore, this autostereoscopic technique eliminates the need to wear special glasses to achieve the parallax effect. Under the program a prototype display was developed which demonstrates the hologram-like full resolution concept. To implement such a system, DTI explored various concept designs and enabling technologies required to support those designs. Specifically required were: a parallax illumination system with sufficient brightness and control; an LCD with rapid address and pixel response; and an interface to an image generation system for creation of computer graphics. Of the possible parallax illumination system designs, we chose a design which utilizes an array of fluorescent lamps. This system creates six sets of illumination areas to be imaged behind an LCD. This controlled illumination array is interfaced to a lenticular lens assembly which images the light segments into thin vertical light lines to achieve the parallax effect. This light line formation is the foundation of DTI's autostereoscopic technique. The David Sarnoff Research Center (Sarnoff) was subcontracted to develop an LCD that would operate with a fast scan rate and pixel response. Sarnoff chose a surface mode cell technique and produced the world's first large area pi-cell active matrix TFT LCD. The device provided adequate performance to evaluate five different perspective stereo viewing zones. A Silicon Graphics' Iris Indigo system was used for image generation which allowed for static and dynamic multiple perspective image rendering

  18. Is Full Better than Half? Examining the Longitudinal Effects of Full-Day Kindergarten Attendance

    ERIC Educational Resources Information Center

    Cannon, Jill S.; Jacknowitz, Alison; Painter, Gary

    2006-01-01

    Kindergarten policy varies widely both across and within states. Over the past decade, a number of states have instituted a full-day kindergarten requirement and others are considering it as a way to increase educational achievement. Many parents also support full-day kindergarten as a source of child care. This paper uses the Early Child…

  19. Full STEAM Ahead: From Earth to Ploonoids

    NASA Astrophysics Data System (ADS)

    Runyon, C. R.; Hall, C.; Blackman, C. L.; Royle, M.; Williams, M. N.

    2015-12-01

    What the heck is a plunoid, you ask? The NASA Solar System Exploration Research Virtual Institute's Education/Public Engagement (EPE) program,from two SSERVI teams (SEEED at Brown/MIT and CLASS at University of Central Florida), is moving full STEAM ahead, engaging the public in the exciting discoveries being made around small bodies, including PLanetary mOONs and asterOIDS (i.e ploonoids). The team has incorporated the arts, from visual representations, storytelling, and music into every facet of the program, to stimulate an affective and personal connection to the content. This past year, the SSERVI STEAM team has participated in numerous public science events, including International Observe the Moon Night, two Astronomy Nights at a local baseball venue, Dark Skies at the US and Canadian National Parks, and Space Day at Camp Happy Days, a camp for children with cancer. Through these events, the team reached over 10000 members of the general public, showcasing current NASA SSERVI research, dispelling myths about our landing and exploring the moon, demonstrating the excitement of STEM through hands-on interactive displays, and providing an outlet for creativity by having multiple ways of representing and explaining scientific information through the arts. Join us on our "ed"venture through the solar system ploonoids.

  20. Database citation in full text biomedical articles.

    PubMed

    Kafkas, Şenay; Kim, Jee-Hyub; McEntyre, Johanna R

    2013-01-01

    Molecular biology and literature databases represent essential infrastructure for life science research. Effective integration of these data resources requires that there are structured cross-references at the level of individual articles and biological records. Here, we describe the current patterns of how database entries are cited in research articles, based on analysis of the full text Open Access articles available from Europe PMC. Focusing on citation of entries in the European Nucleotide Archive (ENA), UniProt and Protein Data Bank, Europe (PDBe), we demonstrate that text mining doubles the number of structured annotations of database record citations supplied in journal articles by publishers. Many thousands of new literature-database relationships are found by text mining, since these relationships are also not present in the set of articles cited by database records. We recommend that structured annotation of database records in articles is extended to other databases, such as ArrayExpress and Pfam, entries from which are also cited widely in the literature. The very high precision and high-throughput of this text-mining pipeline makes this activity possible both accurately and at low cost, which will allow the development of new integrated data services.

  1. Full information acquisition in piezoresponse force microscopy

    DOE PAGES

    Somnath, Suhas; Belianinov, Alex; Jesse, Stephen; Kalinin, Sergei V.

    2015-12-28

    The information flow from the tip-surface junction to the detector electronics during the piezoresponse force microscopy (PFM) imaging is explored using the recently developed general mode (G-mode) detection. Information-theory analysis suggests that G-mode PFM in the non-switching regime, close to the first resonance mode, contains a relatively small (100 - 150) number of components containing significant information. The first two primary components are similar to classical PFM images, suggesting that classical lock-in detection schemes provide high veracity information in this case. At the same time, a number of transient components exhibit contrast associated with surface topography, suggesting pathway to separatemore » the two. The number of significant components increases considerably in the non-linear and switching regimes and approaching to cantilever resonances, precluding the use of classical lock-in detection and necessitating the use of band excitation or G-mode detection schemes. As a result, the future prospects of full information imaging in SPM are discussed.« less

  2. Full information acquisition in piezoresponse force microscopy

    SciTech Connect

    Somnath, Suhas; Belianinov, Alex; Jesse, Stephen; Kalinin, Sergei V.

    2015-12-28

    The information flow from the tip-surface junction to the detector electronics during the piezoresponse force microscopy (PFM) imaging is explored using the recently developed general mode (G-mode) detection. Information-theory analysis suggests that G-mode PFM in the non-switching regime, close to the first resonance mode, contains a relatively small (100 - 150) number of components containing significant information. The first two primary components are similar to classical PFM images, suggesting that classical lock-in detection schemes provide high veracity information in this case. At the same time, a number of transient components exhibit contrast associated with surface topography, suggesting pathway to separate the two. The number of significant components increases considerably in the non-linear and switching regimes and approaching to cantilever resonances, precluding the use of classical lock-in detection and necessitating the use of band excitation or G-mode detection schemes. As a result, the future prospects of full information imaging in SPM are discussed.

  3. Automated full matrix capture for industrial processes

    NASA Astrophysics Data System (ADS)

    Brown, Roy H.; Pierce, S. Gareth; Collison, Ian; Dutton, Ben; Dziewierz, Jerzy; Jackson, Joseph; Lardner, Timothy; MacLeod, Charles; Morozov, Maxim

    2015-03-01

    Full matrix capture (FMC) ultrasound can be used to generate a permanent re-focusable record of data describing the geometry of a part; a valuable asset for an inspection process. FMC is a desirable acquisition mode for automated scanning of complex geometries, as it allows compensation for surface shape in post processing and application of the total focusing method. However, automating the delivery of such FMC inspection remains a significant challenge for real industrial processes due to the high data overhead associated with the ultrasonic acquisition. The benefits of NDE delivery using six-axis industrial robots are well versed when considering complex inspection geometries, but such an approach brings additional challenges to scanning speed and positional accuracy when combined with FMC inspection. This study outlines steps taken to optimize the scanning speed and data management of a process to scan the diffusion bonded membrane of a titanium test plate. A system combining a KUKA robotic arm and a reconfigurable FMC phased array controller is presented. The speed and data implications of different scanning methods are compared, and the impacts on data visualization quality are discussed with reference to this study. For the 0.5 m2 sample considered, typical acquisitions of 18 TB/m2 were measured for a triple back wall FMC acquisition, illustrating the challenge of combining high data throughput with acceptable scanning speeds.

  4. Schottky Heterodyne Receivers With Full Waveguide Bandwidth

    NASA Technical Reports Server (NTRS)

    Hesler, Jeffrey; Crowe, Thomas

    2011-01-01

    Compact THz receivers with broad bandwidth and low noise have been developed for the frequency range from 100 GHz to 1 THz. These receivers meet the requirements for high-resolution spectroscopic studies of planetary atmospheres (including the Earth s) from spacecraft, as well as airborne and balloon platforms. The ongoing research is significant not only for the development of Schottky mixers, but also for the creation of a receiver system, including the LO chain. The new receivers meet the goals of high sensitivity, compact size, low total power requirement, and operation across complete waveguide bands. The exceptional performance makes these receivers ideal for the broader range of scientific and commercial applications. These include the extension of sophisticated test and measurement equipment to 1 THz and the development of low-cost imaging systems for security applications and industrial process monitoring. As a particular example, a WR-1.9SHM (400-600 GHz) has been developed (see Figure 1), with state-of-the-art noise temperature ranging from 1,000-1,800 K (DSB) over the full waveguide band. Also, a Vector Network Analyzer extender has been developed (see Figure 2) for the WR1.5 waveguide band (500 750 GHz) with 100-dB dynamic range.

  5. Source Estimation by Full Wave Form Inversion

    SciTech Connect

    Sjögreen, Björn; Petersson, N. Anders

    2013-08-07

    Given time-dependent ground motion recordings at a number of receiver stations, we solve the inverse problem for estimating the parameters of the seismic source. The source is modeled as a point moment tensor source, characterized by its location, moment tensor components, the start time, and frequency parameter (rise time) of its source time function. In total, there are 11 unknown parameters. We use a non-linear conjugate gradient algorithm to minimize the full waveform misfit between observed and computed ground motions at the receiver stations. An important underlying assumption of the minimization problem is that the wave propagation is accurately described by the elastic wave equation in a heterogeneous isotropic material. We use a fourth order accurate finite difference method, developed in [12], to evolve the waves forwards in time. The adjoint wave equation corresponding to the discretized elastic wave equation is used to compute the gradient of the misfit, which is needed by the non-linear conjugated minimization algorithm. A new source point moment source discretization is derived that guarantees that the Hessian of the misfit is a continuous function of the source location. An efficient approach for calculating the Hessian is also presented. We show how the Hessian can be used to scale the problem to improve the convergence of the non-linear conjugated gradient algorithm. Numerical experiments are presented for estimating the source parameters from synthetic data in a layer over half-space problem (LOH.1), illustrating rapid convergence of the proposed approach.

  6. Full scale experience with the BIOCEL process.

    PubMed

    ten Brummeler, E

    2000-01-01

    The BIOCEL process is a mesophilic dry anaerobic batch digestion system for solid organic wastes. In the BIOCEL process organic solid wastes, such as source separated organic fraction of MSW (biowaste) is converted into enriched compost and biogas. In the process net energy production is achieved by converting the biogas to heat and power with a heat-electric power production unit. In September 1997 the first full scale plant is started-up in Lelystad, The Netherlands. This plant is processing 50,000 tons of biowaste (organic fraction of MSW from source separation) per year. The plant has a net energy production and therefore contributes to prevention of CO2 emissions from fossil fuels. In the BIOCEL-system the several compost fractions are produced with a "wet" separation process. During the wet separation sand and contaminants are removed. An important aspect of compost quality is the absence of several types of pathogens. It appears that anaerobic digestion with the BIOCEL-process results in complete inactivation of several important groups of plant and animal pathogens. The mechanism that causes the inactivation is not yet fully understood, but the relatively high Volatile Fatty Acids concentration during the first two weeks of the digestion process might presumably be the key factor. PMID:11382005

  7. Continuous, Full-Circle Arctangent Circuit

    NASA Technical Reports Server (NTRS)

    Alhorn, Dean C.; Howard, David E.; Smith, Dennis A.

    2005-01-01

    A circuit generates an analog voltage proportional to an angle, in response to two sinusoidal input voltages having magnitudes proportional to the sine and cosine of the angle, respectively. That is to say, given input voltages proportional to sin(Omega(t))sin(Theta) and sin(Omega(t))cos(Theta) [where Theta denotes the angle, mega denotes 2(pi) x a carrier frequency, and t denotes time], the circuit generates a steady voltage proportional to Theta. The output voltage varies continuously from its minimum to its maximum value as Theta varies from -180deg to 180deg. While the circuit could accept input modulated sine and cosine signals from any source, it must be noted that such signals are typical of the outputs of shaft-angle resolvers in electromagnetic actuators used to measure and control shaft angles for diverse purposes like aiming scientific instruments and adjusting valve openings. In effect, the circuit is an analog computer that calculates the arctangent of the ratio between the sine and cosine signals. The full-circle angular range of this arctangent circuit stands in contrast to the range of prior analog arctangent circuits, which is from slightly greater than -90deg to slightly less than +90deg. Moreover, for applications in which continuous variation of output is preferred to discrete increments of output, this circuit offers a clear advantage over resolver- to-digital integrated circuits.

  8. Full information acquisition in piezoresponse force microscopy

    SciTech Connect

    Somnath, Suhas Belianinov, Alexei E-mail: sergei2@ornl.gov Kalinin, Sergei V. E-mail: sergei2@ornl.gov Jesse, Stephen E-mail: sergei2@ornl.gov

    2015-12-28

    The information flow from the tip-surface junction to the detector electronics during the piezoresponse force microscopy (PFM) imaging is explored using the recently developed general mode (G-mode) detection. Information-theory analysis suggests that G-mode PFM in the non-switching regime, close to the first resonance mode, contains a relatively small (100–150) number of components containing significant information. The first two primary components are similar to classical PFM images, suggesting that classical lock-in detection schemes provide high veracity information in this case. At the same time, a number of transient components exhibit contrast associated with surface topography, suggesting pathway to separate the two. The number of significant components increases considerably in the non-linear and switching regimes and approaching cantilever resonances, precluding the use of classical lock-in detection and necessitating the use of band excitation or G-mode detection schemes. The future prospects of full information imaging in scanning probe microscopy are discussed.

  9. Full partnership for women in development.

    PubMed

    Luke, M

    1995-01-01

    The mission of CEDPA (Center for Development and Population Activities) is to empower women to be full partners in development. Empowerment starts with the development of women as leaders and managers through leadership training. There are now 4000 CEDPA alumnae worldwide who have participated in training programs. USAID-funded integrated service programs are geared toward women-managed health services seeking out nongovernmental organizations (NGOs) based in the community that have women as part of their services. Another approach is building the capacity of institutions to broaden their programs to fully utilize external funding and also establish a foundation for sustainability. Another strategy is advocacy and policy. Recently a group of women leaders attended all the preparatory meetings for the International Conference on Population and Development (ICPD) to be sure that input into the Cairo Document came from women who were representatives of family planning programs in their communities. The ICPD document itself is favorable to women's development, women leaders, and training for women, but the challenge is to find financial resources to make the commitment to women's programs on a large scale. The test of the Program of Action is how it is implemented. NGOs do not have enough resources, but women's NGOs have even less resources than other NGOs. The Global Issues Initiative is a significant commitment on the part of the Japanese government. CEDPA's mission is to ensure that women participate in these programs that will be developed and managed by women and NGOs.

  10. PWR full-reactor coolant system decontamination

    SciTech Connect

    Aspden, R.G.; Pessall, N.; Grand, T.F. )

    1992-01-01

    The overall objective of the current program is to identify and address all aspects of full system decontamination with the purpose of qualifying at least one process for PWR use. The objective of the current study is to provide baseline data on the performance of materials on the primary side after exposure to one cycle of the LOMI fault testing. This data supplements prior information obtained after exposure to three cycles of LOMI testing. The technical significance of this excursion will be determined in a subsequent task. The general corrosion characteristics of over 39 materials were evaluated for some combinations of material, type of specimen (coupon and creviced coupons), and loop velocity (0, 5, 20 and 150 ft/sec). At velocities of less than or equal to 20 ft/sec, sixteen types of specimens were employed to evaluate localized corrosion and stress corrosion cracking. Specimens were examined after one cycle. Also included in this exposure were specimens added to provide more information on the effect of LOMI fault exposure one: (1) surface roughening of Stellite 156; (2) crevice corrosion of chromium plated 304 stainless steel with the open end gap increased from 3 to {approximately} 9 mils; (3) susceptibility of Inconel X-750 (HTH) to subsequent stress corrosion cracking, (4) loss of chromium plate from threads of 304 stainless steel bolts torqued into stainless steel collars; (5) crack initiation in an Alloy 600 tube known to be susceptible to primary water stress corrosion cracking; and (6) surface alternation of stressed Inconel X-750 springs with the spring temper.

  11. Full waveform inversion of solar interior flows

    SciTech Connect

    Hanasoge, Shravan M.

    2014-12-10

    The inference of flows of material in the interior of the Sun is a subject of major interest in helioseismology. Here, we apply techniques of full waveform inversion (FWI) to synthetic data to test flow inversions. In this idealized setup, we do not model seismic realization noise, training the focus entirely on the problem of whether a chosen supergranulation flow model can be seismically recovered. We define the misfit functional as a sum of L {sub 2} norm deviations in travel times between prediction and observation, as measured using short-distance filtered f and p {sub 1} and large-distance unfiltered p modes. FWI allows for the introduction of measurements of choice and iteratively improving the background model, while monitoring the evolution of the misfit in all desired categories. Although the misfit is seen to uniformly reduce in all categories, convergence to the true model is very slow, possibly because it is trapped in a local minimum. The primary source of error is inaccurate depth localization, which, due to density stratification, leads to wrong ratios of horizontal and vertical flow velocities ({sup c}ross talk{sup )}. In the present formulation, the lack of sufficient temporal frequency and spatial resolution makes it difficult to accurately localize flow profiles at depth. We therefore suggest that the most efficient way to discover the global minimum is to perform a probabilistic forward search, involving calculating the misfit associated with a broad range of models (generated, for instance, by a Monte Carlo algorithm) and locating the deepest minimum. Such techniques possess the added advantage of being able to quantify model uncertainty as well as realization noise (data uncertainty).

  12. ADAPTIVE FULL-SPECTRUM SOLOR ENERGY SYSTEMS

    SciTech Connect

    Byard D. Wood

    2004-04-01

    This RD&D project is a three year team effort to develop a hybrid solar lighting (HSL) system that transports solar light from a paraboloidal dish concentrator to a luminaire via a large core polymer fiber optic. The luminaire can be a device to distribute sunlight into a space for the production of algae or it can be a device that is a combination of solar lighting and electric lighting. A benchmark prototype system has been developed to evaluate the HSL system. Sunlight is collected using a one-meter paraboloidal concentrator dish with two-axis tracking. A secondary mirror consisting of eight planar-segmented mirrors directs the visible part of the spectrum to eight fibers (receiver) and subsequently to eight luminaires. This results in about 8,200 lumens incident at each fiber tip. Each fiber can illuminate about 16.7 m{sup 2} (180 ft{sup 2}) of office space. The IR spectrum is directed to a thermophotovoltaic (TPV) array to produce electricity. During this reporting period, the project team made advancements in the design of the second generation (Alpha) system. For the Alpha system, the eight individual 12 mm fibers have been replaced with a centralized bundle of 3 mm fibers. The TRNSYS Full-Spectrum Solar Energy System model has been updated and new components have been added. The TPV array and nonimaging device have been tested and progress has been made in the fiber transmission models. A test plan was developed for both the high-lumen tests and the study to determine the non-energy benefits of daylighting. The photobioreactor team also made major advancements in the testing of model scale and bench top lab-scale systems.

  13. A SKY FULL OF GLITTERING JEWELS

    NASA Technical Reports Server (NTRS)

    2002-01-01

    NASA's Hubble Space Telescope has given us a keyhole view towards the heart of our Milky Way Galaxy, where a dazzling array of stars reside. Most of the view of our galaxy is obscured by dust. Hubble peered into the Sagittarius Star Cloud, a narrow, dust-free region, providing this spectacular glimpse of a treasure chest full of stars. Some of these gems are among the oldest inhabitants of our galaxy. By studying the older stars that pack our Milky Way's hub, scientists can learn more about the evolution of our galaxy. Many of the brighter stars in this image show vivid colors. A star's color reveals its temperature, one of its most 'vital statistics.' Knowing a star's temperature and the power of the star's radiation allow scientists to make conclusions about its age and mass. Most blue stars are young and hot, up to ten times hotter than our Sun. They consume their fuel much faster and live shorter lives than our Sun. Red stars come in two flavors: small stars and 'red giants'. Smaller red stars generally have a temperature about half that of our Sun, consuming their fuel slowly and thus, live the longest. 'Red giant' stars are at the end of their lives because they have exhausted their fuel. Although many 'red giant' stars may have been ordinary stars like our Sun, as they die they swell up in size, become much cooler, and are much more luminous then they were during the majority of their stellar life. Credit: Hubble Heritage Team (AURA/STScI/NASA)

  14. Scalable, full-colour and controllable chromotropic plasmonic printing.

    PubMed

    Xue, Jiancai; Zhou, Zhang-Kai; Wei, Zhiqiang; Su, Rongbin; Lai, Juan; Li, Juntao; Li, Chao; Zhang, Tengwei; Wang, Xue-Hua

    2015-11-16

    Plasmonic colour printing has drawn wide attention as a promising candidate for the next-generation colour-printing technology. However, an efficient approach to realize full colour and scalable fabrication is still lacking, which prevents plasmonic colour printing from practical applications. Here we present a scalable and full-colour plasmonic printing approach by combining conjugate twin-phase modulation with a plasmonic broadband absorber. More importantly, our approach also demonstrates controllable chromotropic capability, that is, the ability of reversible colour transformations. This chromotropic capability affords enormous potentials in building functionalized prints for anticounterfeiting, special label, and high-density data encryption storage. With such excellent performances in functional colour applications, this colour-printing approach could pave the way for plasmonic colour printing in real-world commercial utilization.

  15. Scalable, full-colour and controllable chromotropic plasmonic printing

    NASA Astrophysics Data System (ADS)

    Xue, Jiancai; Zhou, Zhang-Kai; Wei, Zhiqiang; Su, Rongbin; Lai, Juan; Li, Juntao; Li, Chao; Zhang, Tengwei; Wang, Xue-Hua

    2015-11-01

    Plasmonic colour printing has drawn wide attention as a promising candidate for the next-generation colour-printing technology. However, an efficient approach to realize full colour and scalable fabrication is still lacking, which prevents plasmonic colour printing from practical applications. Here we present a scalable and full-colour plasmonic printing approach by combining conjugate twin-phase modulation with a plasmonic broadband absorber. More importantly, our approach also demonstrates controllable chromotropic capability, that is, the ability of reversible colour transformations. This chromotropic capability affords enormous potentials in building functionalized prints for anticounterfeiting, special label, and high-density data encryption storage. With such excellent performances in functional colour applications, this colour-printing approach could pave the way for plasmonic colour printing in real-world commercial utilization.

  16. Scalable, full-colour and controllable chromotropic plasmonic printing

    PubMed Central

    Xue, Jiancai; Zhou, Zhang-Kai; Wei, Zhiqiang; Su, Rongbin; Lai, Juan; Li, Juntao; Li, Chao; Zhang, Tengwei; Wang, Xue-Hua

    2015-01-01

    Plasmonic colour printing has drawn wide attention as a promising candidate for the next-generation colour-printing technology. However, an efficient approach to realize full colour and scalable fabrication is still lacking, which prevents plasmonic colour printing from practical applications. Here we present a scalable and full-colour plasmonic printing approach by combining conjugate twin-phase modulation with a plasmonic broadband absorber. More importantly, our approach also demonstrates controllable chromotropic capability, that is, the ability of reversible colour transformations. This chromotropic capability affords enormous potentials in building functionalized prints for anticounterfeiting, special label, and high-density data encryption storage. With such excellent performances in functional colour applications, this colour-printing approach could pave the way for plasmonic colour printing in real-world commercial utilization. PMID:26567803

  17. Recovering full-length viral genomes from metagenomes

    PubMed Central

    Smits, Saskia L.; Bodewes, Rogier; Ruiz-González, Aritz; Baumgärtner, Wolfgang; Koopmans, Marion P.; Osterhaus, Albert D. M. E.; Schürch, Anita C.

    2015-01-01

    Infectious disease metagenomics is driven by the question: “what is causing the disease?” in contrast to classical metagenome studies which are guided by “what is out there?” In case of a novel virus, a first step to eventually establishing etiology can be to recover a full-length viral genome from a metagenomic sample. However, retrieval of a full-length genome of a divergent virus is technically challenging and can be time-consuming and costly. Here we discuss different assembly and fragment linkage strategies such as iterative assembly, motif searches, k-mer frequency profiling, coverage profile binning, and other strategies used to recover genomes of potential viral pathogens in a timely and cost-effective manner. PMID:26483782

  18. Direct fabrication of full-shell x-ray optics

    NASA Astrophysics Data System (ADS)

    Gubarev, M.; Ramsey, B.; Kolodziejczak, J. K.; Smith, W. S.; Roche, J.; Jones, W.; Griffith, C.; Kester, T.; Atkins, C.; Arnold, W.

    2015-09-01

    The next generation of astrophysical missions will require fabrication technology capable of producing high angular resolution x-ray mirrors. A full-shell direct fabrication approach using modern robotic polishing machines has the potential for producing stiff and light-weight shells that can be heavily nested, to produce large collecting areas, and are easier to mount, align and assemble, giving improved angular resolution. This approach to mirror fabrication, is being pursued at MSFC. The current status of this direct fabrication technology is presented.

  19. A drosophila full-length cDNA resource

    SciTech Connect

    Stapleton, Mark; Carlson, Joseph; Brokstein, Peter; Yu, Charles; Champe, Mark; George, Reed; Guarin, Hannibal; Kronmiller, Brent; Pacleb, Joanne; Park, Soo; Rubin, Gerald M.; Celniker, Susan E.

    2003-05-09

    Background: A collection of sequenced full-length cDNAs is an important resource both for functional genomics studies and for the determination of the intron-exon structure of genes. Providing this resource to the Drosophila melanogaster research community has been a long-term goal of the Berkeley Drosophila Genome Project. We have previously described the Drosophila Gene Collection (DGC), a set of putative full-length cDNAs that was produced by generating and analyzing over 250,000 expressed sequence tags (ESTs) derived from a variety of tissues and developmental stages. Results: We have generated high-quality full-insert sequence for 8,921 clones in the DGC. We compared the sequence of these clones to the annotated Release 3 genomic sequence, and identified more than 5,300 cDNAs that contain a complete and accurate protein-coding sequence. This corresponds to at least one splice form for 40 percent of the predicted D. melanogaster genes. We also identified potential new cases of RNA editing. Conclusions: We show that comparison of cDNA sequences to a high-quality annotated genomic sequence is an effective approach to identifying and eliminating defective clones from a cDNA collection and ensure its utility for experimentation. Clones were eliminated either because they carry single nucleotide discrepancies, which most probably result from reverse transcriptase errors, or because they are truncated and contain only part of the protein-coding sequence.

  20. Intraabdominal pressure after full abdominoplasty in obese multiparous patients.

    PubMed

    Al-Basti, Habib B; El-Khatib, Hamdy A; Taha, Ahmed; Sattar, Hisham Abdul; Bener, Abdulbari

    2004-06-01

    This study measured intraabdominal pressure in morbidly obese and multiparous patients who underwent abdominoplasty with musculoaponeurotic plication. The purpose of this study was to evaluate any potential adverse effect on pulmonary function by virtue of pulmonary function tests and measurement of peak airway pressure. The study included 43 multiparous, morbidly obese women (mean body mass index, 35.8 kg/m2) with a mean age (+/- SD) of 38.6 +/- 7 years. All had full abdominoplasty and repair of the musculoaponeurotic system during the period from June of 1999 to May of 2002. Forty-three morbidly obese multiparous patients were seen over a period of 24 months. Their intraabdominal pressure was estimated by measuring the intravesical pressure before and after repair of severe diastases (divarication) of the rectus abdominis muscles with severely flaccid myofascial component before using a hydrometer connected to a Foley catheter both before and after repair. All patients had pulmonary function checked before and 2 months after the repair. The study confirmed that there are minimal changes on the intraabdominal pressure parameters compared with measurement before and after full abdominoplasty with plication of the rectus muscles, with minimal to negligible changes in the intrathoracic pressure. These changes are clinically and statistically significant (p < 0.0001). The study also recommended the safety of full abdominoplasty and repair of the musculoaponeurotic system in multiparous and morbidly obese patients. Furthermore, no statistically significant difference was found in pulmonary function parameters before and after surgery in patients with a history of bronchial asthma.

  1. Microbial community analysis of a full-scale DEMON bioreactor.

    PubMed

    Gonzalez-Martinez, Alejandro; Rodriguez-Sanchez, Alejandro; Muñoz-Palazon, Barbara; Garcia-Ruiz, Maria-Jesus; Osorio, Francisco; van Loosdrecht, Mark C M; Gonzalez-Lopez, Jesus

    2015-03-01

    Full-scale applications of autotrophic nitrogen removal technologies for the treatment of digested sludge liquor have proliferated during the last decade. Among these technologies, the aerobic/anoxic deammonification process (DEMON) is one of the major applied processes. This technology achieves nitrogen removal from wastewater through anammox metabolism inside a single bioreactor due to alternating cycles of aeration. To date, microbial community composition of full-scale DEMON bioreactors have never been reported. In this study, bacterial community structure of a full-scale DEMON bioreactor located at the Apeldoorn wastewater treatment plant was analyzed using pyrosequencing. This technique provided a higher-resolution study of the bacterial assemblage of the system compared to other techniques used in lab-scale DEMON bioreactors. Results showed that the DEMON bioreactor was a complex ecosystem where ammonium oxidizing bacteria, anammox bacteria and many other bacterial phylotypes coexist. The potential ecological role of all phylotypes found was discussed. Thus, metagenomic analysis through pyrosequencing offered new perspectives over the functioning of the DEMON bioreactor by exhaustive identification of microorganisms, which play a key role in the performance of bioreactors. In this way, pyrosequencing has been proven as a helpful tool for the in-depth investigation of the functioning of bioreactors at microbiological scale.

  2. Simulation-Based Airframe Noise Prediction of a Full-Scale, Full Aircraft

    NASA Technical Reports Server (NTRS)

    Khorrami, Mehdi R.; Fares, Ehab

    2016-01-01

    A previously validated computational approach applied to an 18%-scale, semi-span Gulfstream aircraft model was extended to the full-scale, full-span aircraft in the present investigation. The full-scale flap and main landing gear geometries used in the simulations are nearly identical to those flown on the actual aircraft. The lattice Boltzmann solver PowerFLOW® was used to perform time-accurate predictions of the flow field associated with this aircraft. The simulations were performed at a Mach number of 0.2 with the flap deflected 39 deg. and main landing gear deployed (landing configuration). Special attention was paid to the accurate prediction of major sources of flap tip and main landing gear noise. Computed farfield noise spectra for three selected baseline configurations (flap deflected 39 deg. with and without main gear extended, and flap deflected 0 deg. with gear deployed) are presented. The flap brackets are shown to be important contributors to the farfield noise spectra in the mid- to high-frequency range. Simulated farfield noise spectra for the baseline configurations, obtained using a Ffowcs Williams and Hawkings acoustic analogy approach, were found to be in close agreement with acoustic measurements acquired during the 2006 NASA-Gulfstream joint flight test of the same aircraft.

  3. Quantifying elongation rhythm during full-length protein synthesis.

    PubMed

    Rosenblum, Gabriel; Chen, Chunlai; Kaur, Jaskiran; Cui, Xiaonan; Zhang, Haibo; Asahara, Haruichi; Chong, Shaorong; Smilansky, Zeev; Goldman, Yale E; Cooperman, Barry S

    2013-07-31

    Pauses regulate the rhythm of ribosomal protein synthesis. Mutations disrupting even minor pauses can give rise to improperly formed proteins and human disease. Such minor pauses are difficult to characterize by ensemble methods, but can be readily examined by single-molecule (sm) approaches. Here we use smFRET to carry out real-time monitoring of the expression of a full-length protein, the green fluorescent protein variant Emerald GFP. We demonstrate significant correlations between measured elongation rates and codon and isoacceptor tRNA usage, and provide a quantitative estimate of the effect on elongation rate of replacing a codon recognizing an abundant tRNA with a synonymous codon cognate to a rarer tRNA. Our results suggest that tRNA selection plays an important general role in modulating the rates and rhythms of protein synthesis, potentially influencing simultaneous co-translational processes such as folding and chemical modification. PMID:23822614

  4. Full waveform hyperspectral LiDAR for terrestrial laser scanning.

    PubMed

    Hakala, Teemu; Suomalainen, Juha; Kaasalainen, Sanna; Chen, Yuwei

    2012-03-26

    We present the design of a full waveform hyperspectral light detection and ranging (LiDAR) and the first demonstrations of its applications in remote sensing. The novel instrument produces a 3D point cloud with spectral backscattered reflectance data. This concept has a significant impact on remote sensing and other fields where target 3D detection and identification is crucial, such as civil engineering, cultural heritage, material processing, or geomorphological studies. As both the geometry and spectral information on the target are available from a single measurement, this technology will extend the scope of imaging spectroscopy into spectral 3D sensing. To demonstrate the potential of the instrument in the remote sensing of vegetation, 3D point clouds with backscattered reflectance and spectral indices are presented for a specimen of Norway spruce.

  5. Real-time full field laser Doppler imaging

    NASA Astrophysics Data System (ADS)

    Leutenegger, Marcel; Harbi, Pascal; Thacher, Tyler; Raffoul, Wassim; Lasser, Theo

    2012-06-01

    We present a full field laser Doppler imaging instrument that enables real-time in vivo assessment of blood flow in dermal tissue and skin. The instrument monitors the blood perfusion in an area of about 50cm2 with 480 × 480 pixels per frame at a rate of 12-14 frames per second. Smaller frames can be monitored at much higher frame rates. We recorded the microcirculation in healthy skin before, during and after arterial occlusion. In initial clinical case studies, we imaged the microcirculation in burned skin and monitored the recovery of blood flow in a skin flap during reconstructive surgery indicating the high potential of LDI for clinical applications.

  6. Quantum mechanics of Drude oscillators with full Coulomb interaction

    NASA Astrophysics Data System (ADS)

    Sadhukhan, M.; Manby, Frederick R.

    2016-09-01

    Drude oscillators provide a harmonic description of charge fluctuations and are widely studied as a model system and for ab initio calculations. In the dipole approximation the Hamiltonian describing the interaction of Drudes is quadratic, so it can be diagonalized exactly, but the energy diverges at short range. Here we consider the quantum mechanics of Drude oscillators interacting through the full Coulombic Hamiltonian for which the interaction energy does not have this defect. This protypical model for interactions between matter includes electrostatics, induction, and dispersion. Potential energy curves for rare-gas dimers are very closely matched by Drude correlation energies plus a single exponential function. The exact and accurate results presented here help to delineate between the basic properties of the physical model and the effects that arise from the dipole approximation.

  7. Full waveform hyperspectral LiDAR for terrestrial laser scanning.

    PubMed

    Hakala, Teemu; Suomalainen, Juha; Kaasalainen, Sanna; Chen, Yuwei

    2012-03-26

    We present the design of a full waveform hyperspectral light detection and ranging (LiDAR) and the first demonstrations of its applications in remote sensing. The novel instrument produces a 3D point cloud with spectral backscattered reflectance data. This concept has a significant impact on remote sensing and other fields where target 3D detection and identification is crucial, such as civil engineering, cultural heritage, material processing, or geomorphological studies. As both the geometry and spectral information on the target are available from a single measurement, this technology will extend the scope of imaging spectroscopy into spectral 3D sensing. To demonstrate the potential of the instrument in the remote sensing of vegetation, 3D point clouds with backscattered reflectance and spectral indices are presented for a specimen of Norway spruce. PMID:22453394

  8. Microbubble Swarms in a Full-Scale Water Model Tundish

    NASA Astrophysics Data System (ADS)

    Chang, Sheng; Cao, Xiangkun; Zou, Zongshu; Isac, Mihaiela; Guthrie, Roderick I. L.

    2016-10-01

    Water modeling, using microbubble swarms, was performed in a full-scale, four-strand, delta-shaped tundish, located at the McGill Metals Processing Centre (MMPC). The objective of the study was to investigate the effectiveness of microbubbles in removing inclusions smaller than 50 μm, applying the principles and conditions previously researched using a smaller scale arrangement. Air was injected into a full-scale model of a ladle shroud (the connecting tube through which liquid steel flows into the tundish below). The model ladle shroud was fitted with twelve, laser-drilled orifices, so as to create microbubbles. The bubbles generated using different gas injection protocols were recorded using a high-speed camera, and the bubble images were postprocessed using the commercial software, ImageJ. With this newly designed ladle shroud, bubble sizes could be reduced dramatically, to as small as a 675 µm average diameter. A three-dimensional, CFD model simulation was developed, using parameters obtained from the corresponding water model experiments, in order to predict the behavior of these microbubbles within the tundish and their potential influence on flow patterns and inclusion float-out capability.

  9. Microbubble Swarms in a Full-Scale Water Model Tundish

    NASA Astrophysics Data System (ADS)

    Chang, Sheng; Cao, Xiangkun; Zou, Zongshu; Isac, Mihaiela; Guthrie, Roderick I. L.

    2016-08-01

    Water modeling, using microbubble swarms, was performed in a full-scale, four-strand, delta-shaped tundish, located at the McGill Metals Processing Centre (MMPC). The objective of the study was to investigate the effectiveness of microbubbles in removing inclusions smaller than 50 μm, applying the principles and conditions previously researched using a smaller scale arrangement. Air was injected into a full-scale model of a ladle shroud (the connecting tube through which liquid steel flows into the tundish below). The model ladle shroud was fitted with twelve, laser-drilled orifices, so as to create microbubbles. The bubbles generated using different gas injection protocols were recorded using a high-speed camera, and the bubble images were postprocessed using the commercial software, ImageJ. With this newly designed ladle shroud, bubble sizes could be reduced dramatically, to as small as a 675 µm average diameter. A three-dimensional, CFD model simulation was developed, using parameters obtained from the corresponding water model experiments, in order to predict the behavior of these microbubbles within the tundish and their potential influence on flow patterns and inclusion float-out capability.

  10. Source-independent full waveform inversion of seismic data

    SciTech Connect

    Lee, Ki Ha; Kim, Hee Joon

    2002-03-20

    A rigorous full waveform inversion of seismic data has been a challenging subject partly because of the lack of precise knowledge of the source. Since currently available approaches involve some form of approximations to the source, inversion results are subject to the quality and the choice of the source information used. We propose a new full waveform inversion methodology that does not involve source spectrum information. Thus potential inversion errors due to source estimation can be eliminated. A gather of seismic traces is first Fourier-transformed into the frequency domain and a normalized wavefield is obtained for each trace in the frequency domain. Normalization is done with respect to the frequency response of a reference trace selected from the gather, so the complex-valued normalized wavefield is dimensionless. The source spectrum is eliminated during the normalization procedure. With its source spectrum eliminated, the normalized wavefield allows us construction of an inversion algorithm without the source information. The inversion algorithm minimizes misfits between measured normalized wavefield and numerically computed normalized wavefield. The proposed approach has been successfully demonstrated using a simple two-dimensional scalar problem.

  11. Feasibility of full-spectrum endoscopy: Korea’s first full-spectrum endoscopy colonoscopic trial

    PubMed Central

    Song, Jeong-Yeop; Cho, Youn Hee; Kim, Mi A; Kim, Jeong-Ae; Lee, Chun Tek; Lee, Moon Sung

    2016-01-01

    AIM: To evaluate the full-spectrum endoscopy (FUSE) colonoscopy system as the first report on the utility thereof in a Korean population. METHODS: We explored the efficacy of the FUSE colonoscopy in a retrospective, single-center feasibility study performed between February 1 and July 20, 2015. A total of 262 subjects (age range: 22-80) underwent the FUSE colonoscopy for colorectal cancer screening, polyp surveillance, or diagnostic evaluation. The cecal intubation success rate, the polyp detection rate (PDR), the adenoma detection rate (ADR), and the diverticulum detection rate (DDR), were calculated. Also, the success rates of therapeutic interventions were evaluated with biopsy confirmation. RESULTS: All patients completed the study and the success rates of cecal and terminal ileal intubation were 100% with the FUSE colonoscope; we found 313 polyps in 142 patients and 173 adenomas in 95. The overall PDR, ADR and DDR were 54.2%, 36.3%, and 25.2%, respectively, and were higher in males, and increased with age. The endoscopists and nurses involved considered that the full-spectrum colonoscope improved navigation and orientation within the colon. No colonoscopy was aborted because of colonoscope malfunction. CONCLUSION: The FUSE colonoscopy yielded a higher PDR, ADR, DDR than did traditional colonoscopy, without therapeutic failure or complications, showing feasible, effective, and safe in this first Korean trial. PMID:26937150

  12. Dust Plume Modeling at Fort Bliss: Full Training Scenario

    SciTech Connect

    Chapman, Elaine G.; Rishel, Jeremy P.; Rutz, Frederick C.; Seiple, Timothy E.; Newsom, Rob K.; Allwine, K Jerry

    2006-09-26

    The potential for air quality impacts from heavy mechanized vehicles operating in the training ranges and on the unpaved main supply routes at Fort Bliss is being investigated. The investigation uses the atmospheric modeling system DUSTRAN to simulate fugitive dust emission and dispersion from typical activities occurring on the installation. This report conveys the results of DUSTRAN simulations conducted using a “Full Training” scenario developed by Fort Bliss personnel. he Full Training scenario includes simultaneous off-road activities of two full Heavy Brigade Combat Teams (HCBTs) and one HCBT battalion on three training ranges. Simulations were conducted for the six-day period, April 25-30, 2005, using previously archived meteorological records. Simulation results are presented in the form of 24-hour average PM10 plots and peak 1-hour PM10 concentration plots, where the concentrations represent contributions resulting from the specified military vehicular activities, not total ambient PM10 concentrations. Results indicate that the highest PM10 contribution concentrations occurred on April 30 when winds were light and variable. Under such conditions, lofted particulates generated by vehicular movement stay in the area of generation and are not readily dispersed. The effect of training duration was investigated by comparing simulations with vehicular activity extending over a ten hour period (0700 to 1700 MST) with simulations where vehicular activity was compressed into a one hour period (0700 to 0800 MST). Compressing all vehicular activity into one hour led to higher peak one-hour and 24-hour average concentration contributions, often substantially higher.

  13. Intraabdominal pressure after full abdominoplasty in obese multiparous patients.

    PubMed

    Al-Basti, Habib B; El-Khatib, Hamdy A; Taha, Ahmed; Sattar, Hisham Abdul; Bener, Abdulbari

    2004-06-01

    This study measured intraabdominal pressure in morbidly obese and multiparous patients who underwent abdominoplasty with musculoaponeurotic plication. The purpose of this study was to evaluate any potential adverse effect on pulmonary function by virtue of pulmonary function tests and measurement of peak airway pressure. The study included 43 multiparous, morbidly obese women (mean body mass index, 35.8 kg/m2) with a mean age (+/- SD) of 38.6 +/- 7 years. All had full abdominoplasty and repair of the musculoaponeurotic system during the period from June of 1999 to May of 2002. Forty-three morbidly obese multiparous patients were seen over a period of 24 months. Their intraabdominal pressure was estimated by measuring the intravesical pressure before and after repair of severe diastases (divarication) of the rectus abdominis muscles with severely flaccid myofascial component before using a hydrometer connected to a Foley catheter both before and after repair. All patients had pulmonary function checked before and 2 months after the repair. The study confirmed that there are minimal changes on the intraabdominal pressure parameters compared with measurement before and after full abdominoplasty with plication of the rectus muscles, with minimal to negligible changes in the intrathoracic pressure. These changes are clinically and statistically significant (p < 0.0001). The study also recommended the safety of full abdominoplasty and repair of the musculoaponeurotic system in multiparous and morbidly obese patients. Furthermore, no statistically significant difference was found in pulmonary function parameters before and after surgery in patients with a history of bronchial asthma. PMID:15253209

  14. Analysis of Radarsat-2 Full Polarimetric Data for Forest Mapping

    NASA Astrophysics Data System (ADS)

    Maghsoudi, Yasser

    Forests are a major natural resource of the Earth and control a wide range of environmental processes. Forests comprise a major part of the planet's plant biodiversity and have an important role in the global hydrological and biochemical cycles. Among the numerous potential applications of remote sensing in forestry, forest mapping plays a vital role for characterization of the forest in terms of species. Particularly, in Canada where forests occupy 45% of the territory, representing more than 400 million hectares of the total Canadian continental area. In this thesis, the potential of polarimetric SAR (PolSAR) Radarsat-2 data for forest mapping is investigated. This thesis has two principle objectives. First is to propose algorithms for analyzing the PolSAR image data for forest mapping. There are a wide range of SAR parameters that can be derived from PolSAR data. In order to make full use of the discriminative power offered by all these parameters, two categories of methods are proposed. The methods are based on the concept of feature selection and classifier ensemble. First, a nonparametric definition of the evaluation function is proposed and hence the methods NFS and CBFS. Second, a fast wrapper algorithm is proposed for the evaluation function in feature selection and hence the methods FWFS and FWCBFS. Finally, to incorporate the neighboring pixels information in classification an extension of the FWCBFS method i.e. CCBFS is proposed. The second objective of this thesis is to provide a comparison between leaf-on (summer) and leaf-off (fall) season images for forest mapping. Two Radarsat-2 images acquired in fine quad-polarized mode were chosen for this study. The images were collected in leaf-on and leaf-off seasons. We also test the hypothesis whether combining the SAR parameters obtained from both images can provide better results than either individual datasets. The rationale for this combination is that every dataset has some parameters which may be

  15. Simulations of The Dalles Dam Proposed Full Length Spillwall

    SciTech Connect

    Rakowski, Cynthia L.; Perkins, William A.; Richmond, Marshall C.; Serkowski, John A.

    2008-02-25

    This report presents results of a computational fluid dynamics (CFD) modeling study to evaluatethe impacts of a full-length spillwall at The Dalles Dam. The full-length spillwall is being designed and evaluated as a structural means to improve tailrace egress and thus survival of juvenile fish passing through the spillway. During the course of this study, a full-length spillwall at Bays 6/7 and 8/9 were considered. The U.S. Army Corps of Engineers (USACE) has proposed extending the spillwall constructed in the stilling basin between spillway Bays 6 and 7 about 590 ft farther downstream. It is believed that the extension of the spillwall will improve egress conditions for downstream juvenile salmonids by moving them more rapidly into the thalweg of the river hence reducing their exposure to predators. A numerical model was created, validated, and applied the The Dalles Dam tailrace. The models were designed to assess impacts to flow, tailrace egress, navigation, and adult salmon passage of a proposed spill wall extension. The more extensive model validation undertaken in this study greatly improved our confidence in the numerical model to represent the flow conditions in The Dalles tailrace. This study used these validated CFD models to simulate the potential impacts of a spillwall extension for The Dalles Dam tailrace for two locations. We determined the following: (1)The construction of an extended wall (between Bays 6/7) will not adversely impact entering or exiting the navigation lock. Impact should be less if a wall were constructed between Bays 8/9. (2)The construction of a wall between Bays 6/7 will increase the water surface elevation between the wall and the Washington shore. Although the increased water surface elevation would be beneficial to adult upstream migrants in that it decreases velocities on the approach to the adult ladder, the increased flow depth would enhance dissolved gas production, impacting potential operations of the project because of

  16. Performance analysis of a full-field and full-range swept-source OCT system

    NASA Astrophysics Data System (ADS)

    Krauter, J.; Boettcher, T.; Körner, K.; Gronle, M.; Osten, W.; Passilly, N.; Froehly, L.; Perrin, S.; Gorecki, C.

    2015-09-01

    In recent years, optical coherence tomography (OCT) became gained importance in medical disciplines like ophthalmology, due to its noninvasive optical imaging technique with micrometer resolution and short measurement time. It enables e. g. the measurement and visualization of the depth structure of the retina. In other medical disciplines like dermatology, histopathological analysis is still the gold standard for skin cancer diagnosis. The EU-funded project VIAMOS (Vertically Integrated Array-type Mirau-based OCT System) proposes a new type of OCT system combined with micro-technologies to provide a hand-held, low-cost and miniaturized OCT system. The concept is a combination of full-field and full-range swept-source OCT (SS-OCT) detection in a multi-channel sensor based on a micro-optical Mirau-interferometer array, which is fabricated by means of wafer fabrication. This paper presents the study of an experimental proof-of-concept OCT system as a one-channel sensor with bulk optics. This sensor is a Linnik-interferometer type with similar optical parameters as the Mirau-interferometer array. A commercial wavelength tunable light source with a center wavelength at 845nm and 50nm spectral bandwidth is used with a camera for parallel OCT A-Scan detection. In addition, the reference microscope objective lens of the Linnik-interferometer is mounted on a piezo-actuated phase-shifter. Phase-shifting interferometry (PSI) techniques are applied for resolving the conjugate complex artifact and consequently contribute to an increase of image quality and depth range. A suppression ratio of the complex conjugate term of 36 dB is shown and a system sensitivity greater than 96 dB could be measured.

  17. Supporting Teachers' Journeys towards Full Inclusion of Students on the Autism Spectrum in New Zealand

    ERIC Educational Resources Information Center

    Goodall, Emma

    2014-01-01

    Research indicates that some teachers still have a long way to go in regards to the full acceptance of students on the autism spectrum as learners with potential (Goodall, 2013). The gap between theoretical knowledge and actual understanding of individual potential of students with autism is difficult for many teachers. A lack of understanding can…

  18. Full-Malaria/Parasites and Full-Arthropods: databases of full-length cDNAs of parasites and arthropods, update 2009.

    PubMed

    Wakaguri, Hiroyuki; Suzuki, Yutaka; Katayama, Toshiaki; Kawashima, Shuichi; Kibukawa, Eri; Hiranuka, Kazushi; Sasaki, Masahide; Sugano, Sumio; Watanabe, Junichi

    2009-01-01

    Full-Malaria/Parasites is a database for transcriptome studies of apicomplexa and other parasites, which is based on our original full-length cDNA sequences and physical cDNA clone resources. In this update, the database has been expanded to contain the shogun sequencing for the entire sequences of 14,818 non-redundant full-length cDNA clones from six apicomplexa parasites and 6.8 million of transcription start sites (TSS), both of which had been produced by novel protocols using the oligo-capping method and the Illumina GA sequencer. The former should be the ultimate data for exact annotation of the expressed genes, while the latter should be useful for ultra-deep expression analysis. Furthermore, we have launched Full-Arthropods, a full-length cDNA database for arthropods of medical importance. Full-Arthropods contains 50 343 one-pass sequences, 10 399 shotgun complete sequences and 22.4 million TSS tags in anopheles mosquitoes that transmit malaria, tsetse flies that transmit trypanosomiasis and dust mites that cause allergic dermatitis and bronchial asthma. By providing the largest integrated full-length cDNA data resources in the apicomplexa parasites as well as their vectors, Full-Malaria/Parasites and Full-Arthropods should help combat parasitic diseases. Full-Malaria/Parasites and Full-Arthropods are accessible from http://fullmal.hgc.jp/.

  19. Plasmas: Diversity, pervasiveness and potential

    SciTech Connect

    Eastman, Timothy E.

    1998-01-01

    When considered inclusively, plasma science and technology encompass immense diversity, pervasiveness and potential: diversity through numerous topical areas (see list of nearly 200 in Table II); pervasiveness with examples covering the full range of energy, time and spatial scale; and potential through innumerable current and future applications.

  20. Improved Full Configuration Interaction Monte Carlo for the Hubbard Model

    NASA Astrophysics Data System (ADS)

    Changlani, Hitesh; Holmes, Adam; Petruzielo, Frank; Chan, Garnet; Henley, C. L.; Umrigar, C. J.

    2012-02-01

    We consider the recently proposed full configuration interaction quantum Monte Carlo (FCI-QMC) method and its ``initiator'' extension, both of which promise to ameliorate the sign problem by utilizing the cancellation of positive and negative walkers in the Hilbert space of Slater determinants. While the method has been primarily used for quantum chemistry by A.Alavi and his co-workers [1,2], its application to lattice models in solid state physics has not been tested. We propose an improvement in the form of choosing a basis to make the wavefunction more localized in Fock space, which potentially also reduces the sign problem. We perform calculations on the 4x4 and 8x8 Hubbard models in real and momentum space and in a basis motivated by the reduced density matrix of a 2x2 real space patch obtained from the exact diagonalization of a larger system in which it is embedded. We discuss our results for a range of fillings and U/t and compare them with previous Auxiliary Field QMC and Fixed Node Green's Function Monte Carlo calculations. [4pt] [1] George Booth, Alex Thom, Ali Alavi, J Chem Phys, 131, 050106,(2009)[0pt] [2] D Cleland, GH Booth, Ali Alavi, J Chem Phys 132, 041103, (2010)

  1. Commentary: Coming Full Circle--Psychoanalysis, Psychodynamics, and Forensic Psychiatry.

    PubMed

    Hegarty, Angela M

    2015-12-01

    Drs. Simopoulos and Cohen argue that knowledge of one's unconscious processes improves the forensic psychiatrist's capacity to manage complex forensic situations and to generate forensic formulations and opinions that are demonstrably more valid and reliable, much like competence in cultural assessment and formulation. In practice, the challenges posed by the application of these principles in forensic settings are far outweighed by the potential benefit. Forensic practice is informed by many specialties. Forensic psychiatrists do not have to complete full training in these disciplines to make use of the knowledge and perspectives they offer. The same may not be true of psychodynamic assessment and formulation. Although much can be learned from supervision, case seminars, conferences, and reading, such knowledge does little to foster awareness of one's unconscious processes that by definition operate outside awareness and thus contribute to the vitiating effect of bias. To date, the only method whereby psychiatrists can effectively come to appreciate their own unconscious processes in action is arguably through their own analysis conducted in the course of training in analysis or psychodynamic psychotherapy. PMID:26668220

  2. Topographic Change Detection using Full-waveform Imaging Lidar

    NASA Astrophysics Data System (ADS)

    Blair, B.; Hofton, M. A.

    2001-12-01

    The capability of wide-footprint (i.e. 10 m or greater), full-waveform laser altimeters to penetrate beneath dense vegetation to directly measure the sub-canopy topography provides us with a unique capability for sensing topographic change in the presence of vegetation. We evaluate the feasibility of using a geolocated laser altimeter return waveform instead of individual elevation measurements to measure vertical elevation change within a laser footprint. The method, dubbed the return pulse correlation method, maximizes the shape similarity of near-coincident, vertically-geolocated laser return waveforms from two observation epochs as they are vertically-shifted relative to each other. First, we evaluate the inherent accuracy of the pulse correlation method using models and simulations under "bare-Earth" conditions. We then analyze the effects of vegetation and vegetation growth on the change detection capability. The use of this method, combined with order of magnitude improvements to laser altimeter swath widths (from 1 km to 10 km) and the potential for a future spaceborne imaging lidar, may provide sub-centimeter level relative change detection beneath vegetation to complement IFSAR's ability to make similar measurements in low or vegetation-free conditions.

  3. Topographic Change Detection Using Full-Waveform Imaging Lidar

    NASA Technical Reports Server (NTRS)

    Blair, Bryan; Hofton, Michele A.; Smith, David E. (Technical Monitor)

    2001-01-01

    The capability of wide-footprint (i.e. 10m or greater), full-waveform laser altimeters to penetrate beneath dense vegetation to directly measure the sub-canopy topography provides us with a unique capability for sensing topographic change in the presence of vegetation. We evaluate the feasibility of using a geolocated laser altimeter return waveform instead of individual elevation measurements to measure vertical elevation change within a laser footprint. The method, dubbed the return pulse correlation method, maximizes the shape similarity of nea-coincident, vertically- geolocated laser return waveforms from two observation epochs as they are vertically-shifted relative to each other. First, we evaluate the inherent accuracy of the pulse correlation method using models and simulations under "bare-Earth" conditions. We then analyze the effects of vegetation and vegetation growth on the change detection capability. The use of this method, combined with order of magnitude improvements to laser altimeter swath widths (from 1 km to 10 km) and the potential for a future spaceborne imaging lidar, may provide subcentimeter level relative change detection beneath vegetation to complement IFSAR's ability to make similar measurements in low or vegetation-free conditions.

  4. Commentary: Coming Full Circle--Psychoanalysis, Psychodynamics, and Forensic Psychiatry.

    PubMed

    Hegarty, Angela M

    2015-12-01

    Drs. Simopoulos and Cohen argue that knowledge of one's unconscious processes improves the forensic psychiatrist's capacity to manage complex forensic situations and to generate forensic formulations and opinions that are demonstrably more valid and reliable, much like competence in cultural assessment and formulation. In practice, the challenges posed by the application of these principles in forensic settings are far outweighed by the potential benefit. Forensic practice is informed by many specialties. Forensic psychiatrists do not have to complete full training in these disciplines to make use of the knowledge and perspectives they offer. The same may not be true of psychodynamic assessment and formulation. Although much can be learned from supervision, case seminars, conferences, and reading, such knowledge does little to foster awareness of one's unconscious processes that by definition operate outside awareness and thus contribute to the vitiating effect of bias. To date, the only method whereby psychiatrists can effectively come to appreciate their own unconscious processes in action is arguably through their own analysis conducted in the course of training in analysis or psychodynamic psychotherapy.

  5. Student's music exposure: Full-day personal dose measurements.

    PubMed

    Washnik, Nilesh Jeevandas; Phillips, Susan L; Teglas, Sandra

    2016-01-01

    Previous studies have shown that collegiate level music students are exposed to potentially hazardous sound levels. Compared to professional musicians, collegiate level music students typically do not perform as frequently, but they are exposed to intense sounds during practice and rehearsal sessions. The purpose of the study was to determine the full-day exposure dose including individual practice and ensemble rehearsals for collegiate student musicians. Sixty-seven college students of classical music were recruited representing 17 primary instruments. Of these students, 57 completed 2 days of noise dose measurements using Cirrus doseBadge programed according to the National Institute for Occupational Safety and Health criterion. Sound exposure was measured for 2 days from morning to evening, ranging from 7 to 9 h. Twenty-eight out of 57 (49%) student musicians exceeded a 100% daily noise dose on at least 1 day of the two measurement days. Eleven student musicians (19%) exceeded 100% daily noise dose on both days. Fourteen students exceeded 100% dose during large ensemble rehearsals and eight students exceeded 100% dose during individual practice sessions. Approximately, half of the student musicians exceeded 100% noise dose on a typical college schedule. This finding indicates that a large proportion of collegiate student musicians are at risk of developing noise-induced hearing loss due to hazardous sound levels. Considering the current finding, there is a need to conduct hearing conservation programs in all music schools, and to educate student musicians about the use and importance of hearing protection devices for their hearing.

  6. Full fuel-cycle comparison of forklift propulsion systems.

    SciTech Connect

    Gaines, L. L.; Elgowainy, A.; Wang, M. Q.; Energy Systems

    2008-11-05

    Hydrogen has received considerable attention as an alternative to fossil fuels. The U.S. Department of Energy (DOE) investigates the technical and economic feasibility of promising new technologies, such as hydrogen fuel cells. A recent report for DOE identified three near-term markets for fuel cells: (1) Emergency power for state and local emergency response agencies, (2) Forklifts in warehousing and distribution centers, and (3) Airport ground support equipment markets. This report examines forklift propulsion systems and addresses the potential energy and environmental implications of substituting fuel-cell propulsion for existing technologies based on batteries and fossil fuels. Industry data and the Argonne Greenhouse Gases, Regulated Emissions, and Energy Use in Transportation (GREET) model are used to estimate full fuel-cycle emissions and use of primary energy sources, back to the primary feedstocks for fuel production. Also considered are other environmental concerns at work locations. The benefits derived from using fuel-cell propulsion are determined by the sources of electricity and hydrogen. In particular, fuel-cell forklifts using hydrogen made from the reforming of natural gas had lower impacts than those using hydrogen from electrolysis.

  7. 48 CFR 34.005-6 - Full production.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 1 2011-10-01 2011-10-01 false Full production. 34.005-6... OF CONTRACTING MAJOR SYSTEM ACQUISITION General 34.005-6 Full production. Contracts for full production of successfully tested major systems selected from the full-scale development phase may be...

  8. 48 CFR 1852.214-72 - Full quantities.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 48 Federal Acquisition Regulations System 6 2014-10-01 2014-10-01 false Full quantities. 1852.214... 1852.214-72 Full quantities. As prescribed in 1814.201-670(b), insert the following provision: Full... made on full quantities. (End of provision)...

  9. 48 CFR 1852.214-72 - Full quantities.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 48 Federal Acquisition Regulations System 6 2013-10-01 2013-10-01 false Full quantities. 1852.214... 1852.214-72 Full quantities. As prescribed in 1814.201-670(b), insert the following provision: Full... made on full quantities. (End of provision)...

  10. 48 CFR 1852.214-72 - Full quantities.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 48 Federal Acquisition Regulations System 6 2012-10-01 2012-10-01 false Full quantities. 1852.214... 1852.214-72 Full quantities. As prescribed in 1814.201-670(b), insert the following provision: Full... made on full quantities. (End of provision)...

  11. 48 CFR 1852.214-72 - Full quantities.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 6 2010-10-01 2010-10-01 true Full quantities. 1852.214... 1852.214-72 Full quantities. As prescribed in 1814.201-670(b), insert the following provision: Full... made on full quantities. (End of provision)...

  12. 48 CFR 34.005-6 - Full production.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 1 2010-10-01 2010-10-01 false Full production. 34.005-6... OF CONTRACTING MAJOR SYSTEM ACQUISITION General 34.005-6 Full production. Contracts for full production of successfully tested major systems selected from the full-scale development phase may be...

  13. Student's music exposure: Full-day personal dose measurements.

    PubMed

    Washnik, Nilesh Jeevandas; Phillips, Susan L; Teglas, Sandra

    2016-01-01

    Previous studies have shown that collegiate level music students are exposed to potentially hazardous sound levels. Compared to professional musicians, collegiate level music students typically do not perform as frequently, but they are exposed to intense sounds during practice and rehearsal sessions. The purpose of the study was to determine the full-day exposure dose including individual practice and ensemble rehearsals for collegiate student musicians. Sixty-seven college students of classical music were recruited representing 17 primary instruments. Of these students, 57 completed 2 days of noise dose measurements using Cirrus doseBadge programed according to the National Institute for Occupational Safety and Health criterion. Sound exposure was measured for 2 days from morning to evening, ranging from 7 to 9 h. Twenty-eight out of 57 (49%) student musicians exceeded a 100% daily noise dose on at least 1 day of the two measurement days. Eleven student musicians (19%) exceeded 100% daily noise dose on both days. Fourteen students exceeded 100% dose during large ensemble rehearsals and eight students exceeded 100% dose during individual practice sessions. Approximately, half of the student musicians exceeded 100% noise dose on a typical college schedule. This finding indicates that a large proportion of collegiate student musicians are at risk of developing noise-induced hearing loss due to hazardous sound levels. Considering the current finding, there is a need to conduct hearing conservation programs in all music schools, and to educate student musicians about the use and importance of hearing protection devices for their hearing. PMID:26960787

  14. Lossy Wavefield Compression for Full-Waveform Inversion

    NASA Astrophysics Data System (ADS)

    Boehm, C.; Fichtner, A.; de la Puente, J.; Hanzich, M.

    2015-12-01

    We present lossy compression techniques, tailored to the inexact computation of sensitivity kernels, that significantly reduce the memory requirements of adjoint-based minimization schemes. Adjoint methods are a powerful tool to solve tomography problems in full-waveform inversion (FWI). Yet they face the challenge of massive memory requirements caused by the opposite directions of forward and adjoint simulations and the necessity to access both wavefields simultaneously during the computation of the sensitivity kernel. Thus, storage, I/O operations, and memory bandwidth become key topics in FWI. In this talk, we present strategies for the temporal and spatial compression of the forward wavefield. This comprises re-interpolation with coarse time steps and an adaptive polynomial degree of the spectral element shape functions. In addition, we predict the projection errors on a hierarchy of grids and re-quantize the residuals with an adaptive floating-point accuracy to improve the approximation. Furthermore, we use the first arrivals of adjoint waves to identify "shadow zones" that do not contribute to the sensitivity kernel at all. Updating and storing the wavefield within these shadow zones is skipped, which reduces memory requirements and computational costs at the same time. Compared to check-pointing, our approach has only a negligible computational overhead, utilizing the fact that a sufficiently accurate sensitivity kernel does not require a fully resolved forward wavefield. Furthermore, we use adaptive compression thresholds during the FWI iterations to ensure convergence. Numerical experiments on the reservoir scale and for the Western Mediterranean prove the high potential of this approach with an effective compression factor of 500-1000. Furthermore, it is computationally cheap and easy to integrate in both, finite-differences and finite-element wave propagation codes.

  15. Full spectrum of mental disorders linked with childhood residential mobility

    PubMed Central

    Mok, Pearl L.H.; Webb, Roger T.; Appleby, Louis; Pedersen, Carsten Bøcker

    2016-01-01

    Although links between childhood residential mobility and subsequently increased risks of psychopathology have been well documented, associations across the full spectrum of psychiatric disorders are unknown. We conducted a population-based study of all 1,439,363 persons born in Denmark during 1971–1997 to investigate relationships between childhood cross-municipality residential moves from year of birth to age 14 years and the development of a range of psychiatric disorders from mid-adolescence to early middle age. We examined: (1) Any substance misuse disorders; specifically alcohol misuse, and cannabis misuse; (2) Any personality disorders; specifically antisocial, and borderline personality disorders; (3) Schizophrenia and related disorders; specifically schizophrenia, and schizoaffective disorder; (4) Any mood disorders; specifically bipolar disorder, and depressive disorder; (5) Any anxiety and somatoform disorders; specifically obsessive compulsive disorder; (6) Any eating disorders; specifically anorexia nervosa. Childhood residential mobility was associated with elevated risks of developing most psychiatric disorders, even after controlling for potential confounders. The associations generally rose with increasing age at moving and were stronger for multiple moves in a year compared to a single move. Links were particularly strong for antisocial personality disorder, any substance misuse disorder, and cannabis misuse in particular, for which the highest increases in risks were observed if relocation occurred during adolescence. Childhood residential change was not linked to subsequent risk of developing an eating disorder. Frequent residential mobility could be a marker for familial adversities. Mental health services and schools need to be vigilant of the psychosocial needs of children, particularly adolescents, who have recently moved homes. PMID:27074536

  16. Student's music exposure: Full-day personal dose measurements

    PubMed Central

    Washnik, Nilesh Jeevandas; Phillips, Susan L.; Teglas, Sandra

    2016-01-01

    Previous studies have shown that collegiate level music students are exposed to potentially hazardous sound levels. Compared to professional musicians, collegiate level music students typically do not perform as frequently, but they are exposed to intense sounds during practice and rehearsal sessions. The purpose of the study was to determine the full-day exposure dose including individual practice and ensemble rehearsals for collegiate student musicians. Sixty-seven college students of classical music were recruited representing 17 primary instruments. Of these students, 57 completed 2 days of noise dose measurements using Cirrus doseBadge programed according to the National Institute for Occupational Safety and Health criterion. Sound exposure was measured for 2 days from morning to evening, ranging from 7 to 9 h. Twenty-eight out of 57 (49%) student musicians exceeded a 100% daily noise dose on at least 1 day of the two measurement days. Eleven student musicians (19%) exceeded 100% daily noise dose on both days. Fourteen students exceeded 100% dose during large ensemble rehearsals and eight students exceeded 100% dose during individual practice sessions. Approximately, half of the student musicians exceeded 100% noise dose on a typical college schedule. This finding indicates that a large proportion of collegiate student musicians are at risk of developing noise-induced hearing loss due to hazardous sound levels. Considering the current finding, there is a need to conduct hearing conservation programs in all music schools, and to educate student musicians about the use and importance of hearing protection devices for their hearing. PMID:26960787

  17. Public Education and Outreach Through Full-Dome Video Technology

    NASA Astrophysics Data System (ADS)

    Pollock, John

    2009-03-01

    My long-term goal is to enhance public understanding of complex systems that can be best demonstrated through richly detailed computer graphic animation displayed with full-dome video technology. My current focus is on health science advances that focus on regenerative medicine, which helps the body heal itself. Such topics facilitate science learning and health literacy. My team develops multi-media presentations that bring the scientific and medical advances to the public through immersive high-definition video animation. Implicit in treating the topics of regenerative medicine will be the need to address stem cell biology. The topics are clarified and presented from a platform of facts and balanced ethical consideration. The production process includes communicating scientific information about the excitement and importance of stem cell research. Principles of function are emphasized over specific facts or terminology by focusing on a limited, but fundamental set of concepts. To achieve this, visually rich, biologically accurate 3D computer graphic environments are created to illustrate the cells, tissues and organs of interest. A suite of films are produced, and evaluated in pre- post-surveys assessing attitudes, knowledge and learning. Each film uses engaging interactive demonstrations to illustrate biological functions, the things that go wrong due to disease and disability, and the remedy provided by regenerative medicine. While the images are rich and detailed, the language is accessible and appropriate to the audience. The digital, high-definition video is also re-edited for presentation in other ``flat screen'' formats, increasing our distribution potential. Show content is also presented in an interactive web space (www.sepa.duq.edu) with complementing teacher resource guides and student workbooks and companion video games.

  18. Urban Tree Classification Using Full-Waveform Airborne Laser Scanning

    NASA Astrophysics Data System (ADS)

    Koma, Zs.; Koenig, K.; Höfle, B.

    2016-06-01

    Vegetation mapping in urban environments plays an important role in biological research and urban management. Airborne laser scanning provides detailed 3D geodata, which allows to classify single trees into different taxa. Until now, research dealing with tree classification focused on forest environments. This study investigates the object-based classification of urban trees at taxonomic family level, using full-waveform airborne laser scanning data captured in the city centre of Vienna (Austria). The data set is characterised by a variety of taxa, including deciduous trees (beeches, mallows, plane trees and soapberries) and the coniferous pine species. A workflow for tree object classification is presented using geometric and radiometric features. The derived features are related to point density, crown shape and radiometric characteristics. For the derivation of crown features, a prior detection of the crown base is performed. The effects of interfering objects (e.g. fences and cars which are typical in urban areas) on the feature characteristics and the subsequent classification accuracy are investigated. The applicability of the features is evaluated by Random Forest classification and exploratory analysis. The most reliable classification is achieved by using the combination of geometric and radiometric features, resulting in 87.5% overall accuracy. By using radiometric features only, a reliable classification with accuracy of 86.3% can be achieved. The influence of interfering objects on feature characteristics is identified, in particular for the radiometric features. The results indicate the potential of using radiometric features in urban tree classification and show its limitations due to anthropogenic influences at the same time.

  19. Full spectrum of mental disorders linked with childhood residential mobility.

    PubMed

    Mok, Pearl L H; Webb, Roger T; Appleby, Louis; Pedersen, Carsten Bøcker

    2016-07-01

    Although links between childhood residential mobility and subsequently increased risks of psychopathology have been well documented, associations across the full spectrum of psychiatric disorders are unknown. We conducted a population-based study of all 1,439,363 persons born in Denmark during 1971-1997 to investigate relationships between childhood cross-municipality residential moves from year of birth to age 14 years and the development of a range of psychiatric disorders from mid-adolescence to early middle age. We examined: (1) Any substance misuse disorders; specifically alcohol misuse, and cannabis misuse; (2) Any personality disorders; specifically antisocial, and borderline personality disorders; (3) Schizophrenia and related disorders; specifically schizophrenia, and schizoaffective disorder; (4) Any mood disorders; specifically bipolar disorder, and depressive disorder; (5) Any anxiety and somatoform disorders; specifically obsessive compulsive disorder; (6) Any eating disorders; specifically anorexia nervosa. Childhood residential mobility was associated with elevated risks of developing most psychiatric disorders, even after controlling for potential confounders. The associations generally rose with increasing age at moving and were stronger for multiple moves in a year compared to a single move. Links were particularly strong for antisocial personality disorder, any substance misuse disorder, and cannabis misuse in particular, for which the highest increases in risks were observed if relocation occurred during adolescence. Childhood residential change was not linked to subsequent risk of developing an eating disorder. Frequent residential mobility could be a marker for familial adversities. Mental health services and schools need to be vigilant of the psychosocial needs of children, particularly adolescents, who have recently moved homes. PMID:27074536

  20. Constellations and Inflow of Galactic Wind -- IBEX Full Sky Map

    NASA Video Gallery

    Animation, zooming out from Scorpio to a full sky view of the stars. It blends over to a color-coded full sky neutral atom map, as obtained with IBEX at energies where the interstellar wind is the ...

  1. 7 CFR 763.3 - Full faith and credit.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 7 2014-01-01 2014-01-01 false Full faith and credit. 763.3 Section 763.3 Agriculture... SPECIAL PROGRAMS LAND CONTRACT GUARANTEE PROGRAM § 763.3 Full faith and credit. (a) The land contract guarantee constitutes an obligation supported by the full faith and credit of the United States. The...

  2. 42 CFR 455.16 - Resolution of full investigation.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 42 Public Health 4 2010-10-01 2010-10-01 false Resolution of full investigation. 455.16 Section... Investigation Program § 455.16 Resolution of full investigation. A full investigation must continue until— (a... provider or recipient. This resolution may include but is not limited to— (1) Sending a warning letter...

  3. 48 CFR 2852.102-270 - Incorporation in full text.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 48 Federal Acquisition Regulations System 6 2012-10-01 2012-10-01 false Incorporation in full text... 2852.102-270 Incorporation in full text. JAR provisions or clauses shall be incorporated in solicitations and contracts in full text....

  4. 48 CFR 1952.102-2 - Incorporation in full text.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 6 2010-10-01 2010-10-01 true Incorporation in full text... Clauses 1952.102-2 Incorporation in full text. All IAAR provisions and clauses shall be incorporated in solicitations and/or contracts in full text....

  5. 48 CFR 2852.102-270 - Incorporation in full text.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 6 2011-10-01 2011-10-01 false Incorporation in full text... 2852.102-270 Incorporation in full text. JAR provisions or clauses shall be incorporated in solicitations and contracts in full text....

  6. 48 CFR 1952.102-2 - Incorporation in full text.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 48 Federal Acquisition Regulations System 6 2013-10-01 2013-10-01 false Incorporation in full text... Clauses 1952.102-2 Incorporation in full text. All IAAR provisions and clauses shall be incorporated in solicitations and/or contracts in full text....

  7. 48 CFR 1952.102-2 - Incorporation in full text.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 48 Federal Acquisition Regulations System 6 2014-10-01 2014-10-01 false Incorporation in full text... Clauses 1952.102-2 Incorporation in full text. All IAAR provisions and clauses shall be incorporated in solicitations and/or contracts in full text....

  8. 48 CFR 1952.102-2 - Incorporation in full text.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 48 Federal Acquisition Regulations System 6 2012-10-01 2012-10-01 false Incorporation in full text... Clauses 1952.102-2 Incorporation in full text. All IAAR provisions and clauses shall be incorporated in solicitations and/or contracts in full text....

  9. 48 CFR 2852.102-270 - Incorporation in full text.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 48 Federal Acquisition Regulations System 6 2014-10-01 2014-10-01 false Incorporation in full text... 2852.102-270 Incorporation in full text. JAR provisions or clauses shall be incorporated in solicitations and contracts in full text....

  10. 48 CFR 2852.102-270 - Incorporation in full text.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 6 2010-10-01 2010-10-01 true Incorporation in full text... 2852.102-270 Incorporation in full text. JAR provisions or clauses shall be incorporated in solicitations and contracts in full text....

  11. 48 CFR 2852.102-270 - Incorporation in full text.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 48 Federal Acquisition Regulations System 6 2013-10-01 2013-10-01 false Incorporation in full text... 2852.102-270 Incorporation in full text. JAR provisions or clauses shall be incorporated in solicitations and contracts in full text....

  12. 48 CFR 1952.102-2 - Incorporation in full text.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 6 2011-10-01 2011-10-01 false Incorporation in full text... Clauses 1952.102-2 Incorporation in full text. All IAAR provisions and clauses shall be incorporated in solicitations and/or contracts in full text....

  13. 45 CFR 1220.2-1 - Full-time volunteers.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 4 2014-10-01 2014-10-01 false Full-time volunteers. 1220.2-1 Section 1220.2-1... SERVICE PAYMENT OF VOLUNTEER LEGAL EXPENSES Criminal Proceedings § 1220.2-1 Full-time volunteers. (a)(1) ACTION will pay all reasonable expenses for defense of full-time volunteers up to and...

  14. 45 CFR 1220.3-1 - Full-time volunteers.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 45 Public Welfare 4 2012-10-01 2012-10-01 false Full-time volunteers. 1220.3-1 Section 1220.3-1... SERVICE PAYMENT OF VOLUNTEER LEGAL EXPENSES Civil and Administrative Proceedings § 1220.3-1 Full-time volunteers. ACTION will pay reasonable expenses incurred in the defense of full-time volunteers in...

  15. 45 CFR 1220.2-1 - Full-time volunteers.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 45 Public Welfare 4 2012-10-01 2012-10-01 false Full-time volunteers. 1220.2-1 Section 1220.2-1... SERVICE PAYMENT OF VOLUNTEER LEGAL EXPENSES Criminal Proceedings § 1220.2-1 Full-time volunteers. (a)(1) ACTION will pay all reasonable expenses for defense of full-time volunteers up to and...

  16. 45 CFR 1220.3-1 - Full-time volunteers.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 45 Public Welfare 4 2010-10-01 2010-10-01 false Full-time volunteers. 1220.3-1 Section 1220.3-1... SERVICE PAYMENT OF VOLUNTEER LEGAL EXPENSES Civil and Administrative Proceedings § 1220.3-1 Full-time volunteers. ACTION will pay reasonable expenses incurred in the defense of full-time volunteers in...

  17. 45 CFR 1220.3-1 - Full-time volunteers.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 45 Public Welfare 4 2013-10-01 2013-10-01 false Full-time volunteers. 1220.3-1 Section 1220.3-1... SERVICE PAYMENT OF VOLUNTEER LEGAL EXPENSES Civil and Administrative Proceedings § 1220.3-1 Full-time volunteers. ACTION will pay reasonable expenses incurred in the defense of full-time volunteers in...

  18. 45 CFR 1220.2-1 - Full-time volunteers.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 45 Public Welfare 4 2010-10-01 2010-10-01 false Full-time volunteers. 1220.2-1 Section 1220.2-1... SERVICE PAYMENT OF VOLUNTEER LEGAL EXPENSES Criminal Proceedings § 1220.2-1 Full-time volunteers. (a)(1) ACTION will pay all reasonable expenses for defense of full-time volunteers up to and...

  19. 45 CFR 1220.2-1 - Full-time volunteers.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 45 Public Welfare 4 2013-10-01 2013-10-01 false Full-time volunteers. 1220.2-1 Section 1220.2-1... SERVICE PAYMENT OF VOLUNTEER LEGAL EXPENSES Criminal Proceedings § 1220.2-1 Full-time volunteers. (a)(1) ACTION will pay all reasonable expenses for defense of full-time volunteers up to and...

  20. 45 CFR 1220.3-1 - Full-time volunteers.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 45 Public Welfare 4 2014-10-01 2014-10-01 false Full-time volunteers. 1220.3-1 Section 1220.3-1... SERVICE PAYMENT OF VOLUNTEER LEGAL EXPENSES Civil and Administrative Proceedings § 1220.3-1 Full-time volunteers. ACTION will pay reasonable expenses incurred in the defense of full-time volunteers in...

  1. 45 CFR 1220.3-1 - Full-time volunteers.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 45 Public Welfare 4 2011-10-01 2011-10-01 false Full-time volunteers. 1220.3-1 Section 1220.3-1... SERVICE PAYMENT OF VOLUNTEER LEGAL EXPENSES Civil and Administrative Proceedings § 1220.3-1 Full-time volunteers. ACTION will pay reasonable expenses incurred in the defense of full-time volunteers in...

  2. 48 CFR 1334.005-6 - Full production.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 5 2011-10-01 2011-10-01 false Full production. 1334.005... CATEGORIES OF CONTRACTING MAJOR SYSTEM ACQUISITION General 1334.005-6 Full production. The designee... contract for full production of a successfully tested major system is set forth in CAM 1301.70....

  3. 48 CFR 1334.005-6 - Full production.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Full production. 1334.005... CATEGORIES OF CONTRACTING MAJOR SYSTEM ACQUISITION General 1334.005-6 Full production. The designee... contract for full production of a successfully tested major system is set forth in CAM 1301.70....

  4. Advantages of horizontal directional Theta method to detect the edges of full tensor gravity gradient data

    NASA Astrophysics Data System (ADS)

    Yuan, Yuan; Gao, Jin-Yao; Chen, Ling-Na

    2016-07-01

    Full tensor gravity gradient data contain nine signal components. They include higher frequency signals than traditional gravity data, which can extract the small-scale features of the sources. Edge detection has played an important role in the interpretation of potential-field data. There are many methods that have been proposed to detect and enhance the edges of geological bodies based on horizontal and vertical derivatives of potential-field data. In order to make full use of all the measured gradient components, we need to develop a new edge detector to process the full tensor gravity gradient data. We first define the directional Theta and use the horizontal directional Theta to define a new edge detector. This method was tested on synthetic and real full tensor gravity gradient data to validate its feasibility. Compared the results with other balanced detectors, the new detector can effectively delineate the edges and does not produce any additional false edges.

  5. Ab initio interaction potentials and scattering lengths for ultracold mixtures of metastable helium and alkali-metal atoms

    NASA Astrophysics Data System (ADS)

    Kedziera, Dariusz; Mentel, Łukasz; Żuchowski, Piotr S.; Knoop, Steven

    2015-06-01

    We have obtained accurate ab initio +4Σ quartet potentials for the diatomic metastable triplet helium+alkali-metal (Li, Na, K, Rb) systems, using all-electron restricted open-shell coupled cluster singles and doubles with noniterative triples corrections CCSD(T) calculations and accurate calculations of the long-range C6 coefficients. These potentials provide accurate ab initio quartet scattering lengths, which for these many-electron systems is possible, because of the small reduced masses and shallow potentials that result in a small amount of bound states. Our results are relevant for ultracold metastable triplet helium+alkali-metal mixture experiments.

  6. Biological treatment of habitation waste streams using full scale MABRs

    NASA Astrophysics Data System (ADS)

    Jackson, William; Barta, Daniel J.; Morse, Audra; Christenson, Dylan; Sevanthi, Ritesh

    Recycling waste water is a critical step to support sustainable long term habitation in space. Water is one of the largest contributors to life support requirements. In closed loop life support systems, membrane aerated biological reactors (MABRs) can reduce the dissolved organic carbon (DOC) and ammonia (NH3) concentration as well as decrease the pH, leading to a more stable solution with less potential to support biological growth or promote carryover of unionized ammonia as well as producing a higher quality brine. Over the last three years we have operated 3 full size MABRs ( 120L) treating a habitation type waste stream composed of urine, hygiene, and laundry water. The reactors varied in the specific surface area (260, 200, and 150 m2/m3) available for biofilm growth and gas transfer. The liquid side system was continually monitored for pH, TDS, and DO, and the influent and effluent monitored daily for DOC, TN, NOx, and NH4. The gas side system was continuously monitored for O2, CO2, and N2O in the effluent gas as well as pressure and flow rates. These systems have all demonstrated greater than 90% DOC reductions and ammonium conversion rates of 50-70% over a range of loading rates with effluent pH from 5-7.5. We have evaluated. In addition, to evaluating the impact of loading rates (10-70 l/d) we have also evaluated the impact of forced hibernation, the use of pure O2 on performance, the impact of pressurize operation to prevent de-gassing of N2 and to promote higher O2 transfer and a discontinuous feeding cycle to allow integration with desalination. Our analysis includes quantification of consumables (power and O2), waste products such as CO2 and N2O as well as solids production. Our results support the use of biological reactors to treat habitation waste streams as an alternative to the use of pretreatment and desalination alone.

  7. Full waveform ambient noise tomography of Mount Rainer

    NASA Astrophysics Data System (ADS)

    Flinders, A. F.; Shen, Y.

    2014-12-01

    Mount Rainier towers over the landscape of western Washington, ranking with Fuji-yama in Japan, Mt. Pinatubo in the Philippines, and Mt. Vesuvius in Italy, as one of the great stratovolcanoes of the world. Notwithstanding it's picturesque stature, Mt. Rainier is potentially the most devastating stratovolcano in North America, with more than 3.5 million people living beneath its shadow in the Seattle-Tacoma area. The primary hazard posed by the volcano is in the form of highly destructive volcanic debris flows (lahars). These lahars form when water and/or melted ice erode away and entrain preexisting volcanic sediment. At Mt. Rainier these flows are often initiated by sector collapse of the volcano's hydrothermally rotten flanks and compounded from Mt. Rainier's extensive snow and glacial ice coverage. It is therefore imperative to ascertain the extent of summit hydrothermal alteration within the volcano, and determine areas prone to collapse. Despite being one of the sixteen volcanoes globally designated by the International Association of Volcanology and Chemistry of the Earth's Interior as warranting detailed and focused study, Mt. Rainier remains enigmatic both in terms of shallow internal structure and the degree of summit hydrothermal alteration. We image this shallow internal structure and areas of possible summit alteration using ambient noise tomography. Our full waveform forward modeling includes high-resolution topography, allowing us to accurately account for the effects of topography on the propagation of short-period Rayleigh waves. Empirical Green's functions were extracted from 80 stations within 200 km of Mount Rainier and compared with synthetic greens functions over multiple frequency bands from 2-28 seconds. The preliminary model shows a broad (60 km wide) low shear-wave velocity anomaly in the mid-crust beneath the volcano. The mid-crust low-velocity body extends to the surface beneath the volcano summit in a narrow near-vertical conduit, the

  8. Using NMR to study full intact wine bottles

    NASA Astrophysics Data System (ADS)

    Weekley, A. J.; Bruins, P.; Sisto, M.; Augustine, M. P.

    2003-03-01

    A nuclear magnetic resonance (NMR) probe and spectrometer capable of investigating full intact wine bottles is described and used to study a series of Cabernet Sauvignons with high resolution 1H NMR spectroscopy. Selected examples of full bottle 13C NMR spectra are also provided. The application of this full bottle NMR method to the measurement of acetic acid content, the detection of complex sugars, phenols, and trace elements in wine is discussed.

  9. 42 CFR 457.930 - Full investigation, resolution, and reporting requirements.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... HEALTH AND HUMAN SERVICES (CONTINUED) STATE CHILDREN'S HEALTH INSURANCE PROGRAMS (SCHIPs) ALLOTMENTS AND... and apparent instances of fraud and abuse. Once the State determines that a full investigation is... with and refer potential fraud and abuse cases to the State program integrity unit, if such a...

  10. 42 CFR 457.930 - Full investigation, resolution, and reporting requirements.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... HEALTH AND HUMAN SERVICES (CONTINUED) STATE CHILDREN'S HEALTH INSURANCE PROGRAMS (SCHIPs) ALLOTMENTS AND... and apparent instances of fraud and abuse. Once the State determines that a full investigation is... with and refer potential fraud and abuse cases to the State program integrity unit, if such a...

  11. 42 CFR 457.930 - Full investigation, resolution, and reporting requirements.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... HEALTH AND HUMAN SERVICES (CONTINUED) STATE CHILDREN'S HEALTH INSURANCE PROGRAMS (SCHIPs) ALLOTMENTS AND... and apparent instances of fraud and abuse. Once the State determines that a full investigation is... with and refer potential fraud and abuse cases to the State program integrity unit, if such a...

  12. 42 CFR 457.930 - Full investigation, resolution, and reporting requirements.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... HEALTH AND HUMAN SERVICES (CONTINUED) STATE CHILDREN'S HEALTH INSURANCE PROGRAMS (SCHIPs) ALLOTMENTS AND... and apparent instances of fraud and abuse. Once the State determines that a full investigation is... with and refer potential fraud and abuse cases to the State program integrity unit, if such a...

  13. 42 CFR 457.930 - Full investigation, resolution, and reporting requirements.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... HEALTH AND HUMAN SERVICES (CONTINUED) STATE CHILDREN'S HEALTH INSURANCE PROGRAMS (SCHIPs) ALLOTMENTS AND... and apparent instances of fraud and abuse. Once the State determines that a full investigation is... with and refer potential fraud and abuse cases to the State program integrity unit, if such a...

  14. ICCE/ICCAI 2000 Full & Short Papers (Instructional Design).

    ERIC Educational Resources Information Center

    2000

    This document contains the full text of the following full and short papers on instructional design from ICCE/ICCAI 2000 (International Conference on Computers in Education/International Conference on Computer-Assisted Instruction): (1) "An Experiment of Situated Learning on College Students" (Fonchu Kuo and others); (2) "An Approach to Modeling…

  15. Full-Day Kindergarten: Exploring an Option for Extended Learning.

    ERIC Educational Resources Information Center

    Brewster, Cori; Railsback, Jennifer

    Noting that full-day kindergarten has become an increasingly popular scheduling option in U.S. schools during the past 30 years, this booklet provides a brief review of recent literature on full-day programs and highlights important considerations for educators, policymakers, and parents assessing their kindergarten options. The booklet also…

  16. 48 CFR 634.005-6 - Full production.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 48 Federal Acquisition Regulations System 4 2013-10-01 2013-10-01 false Full production. 634.005-6... CONTRACTING MAJOR SYSTEM ACQUISITION 634.005-6 Full production. The Deputy Secretary is the agency head for the purposes of FAR 34.005-6 with power of redelegation to the Under Secretary for Management....

  17. 48 CFR 634.005-6 - Full production.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 4 2011-10-01 2011-10-01 false Full production. 634.005-6... CONTRACTING MAJOR SYSTEM ACQUISITION 634.005-6 Full production. The Deputy Secretary is the agency head for the purposes of FAR 34.005-6 with power of redelegation to the Under Secretary for Management....

  18. 48 CFR 634.005-6 - Full production.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 48 Federal Acquisition Regulations System 4 2014-10-01 2014-10-01 false Full production. 634.005-6 Section 634.005-6 Federal Acquisition Regulations System DEPARTMENT OF STATE SPECIAL CATEGORIES OF CONTRACTING MAJOR SYSTEM ACQUISITION 634.005-6 Full production. The Deputy Secretary is the agency head for the purposes of FAR 34.005-6 with power...

  19. 48 CFR 634.005-6 - Full production.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 48 Federal Acquisition Regulations System 4 2012-10-01 2012-10-01 false Full production. 634.005-6... CONTRACTING MAJOR SYSTEM ACQUISITION 634.005-6 Full production. The Deputy Secretary is the agency head for the purposes of FAR 34.005-6 with power of redelegation to the Under Secretary for Management....

  20. 29 CFR 779.408 - “Full-time students”.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... Students, Learners, and Handicapped Workers § 779.408 “Full-time students”. The 1961 Amendments added to... provision was amplified by the 1966 Amendments to provide for the employment of full-time students..., 89th Cong., second session, pp. 34 and 35). Regulations authorizing the issuance of certificates...

  1. 29 CFR 779.408 - “Full-time students”.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... Students, Learners, and Handicapped Workers § 779.408 “Full-time students”. The 1961 Amendments added to... provision was amplified by the 1966 Amendments to provide for the employment of full-time students..., 89th Cong., second session, pp. 34 and 35). Regulations authorizing the issuance of certificates...

  2. A Digital Full-Text Biotechnology System at Georgetown University.

    ERIC Educational Resources Information Center

    Broering, Naomi C.

    1994-01-01

    Discusses Georgetown University's prototype digital full-text system designed to provide medical clinicians and researchers with electronically transmitted journal articles that include illustrations. Topics addressed include project design; digital full-text database design and maintenance; storage/retrieval and transmission technologies…

  3. 23 CFR 505.15 - Full funding grant agreement.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 23 Highways 1 2011-04-01 2011-04-01 false Full funding grant agreement. 505.15 Section 505.15 Highways FEDERAL HIGHWAY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION TRANSPORTATION INFRASTRUCTURE MANAGEMENT PROJECTS OF NATIONAL AND REGIONAL SIGNIFICANCE EVALUATION AND RATING § 505.15 Full funding...

  4. 23 CFR 505.15 - Full funding grant agreement.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 23 Highways 1 2014-04-01 2014-04-01 false Full funding grant agreement. 505.15 Section 505.15 Highways FEDERAL HIGHWAY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION TRANSPORTATION INFRASTRUCTURE MANAGEMENT PROJECTS OF NATIONAL AND REGIONAL SIGNIFICANCE EVALUATION AND RATING § 505.15 Full funding...

  5. 23 CFR 505.15 - Full funding grant agreement.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 23 Highways 1 2013-04-01 2013-04-01 false Full funding grant agreement. 505.15 Section 505.15 Highways FEDERAL HIGHWAY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION TRANSPORTATION INFRASTRUCTURE MANAGEMENT PROJECTS OF NATIONAL AND REGIONAL SIGNIFICANCE EVALUATION AND RATING § 505.15 Full funding...

  6. 23 CFR 505.15 - Full funding grant agreement.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 23 Highways 1 2010-04-01 2010-04-01 false Full funding grant agreement. 505.15 Section 505.15 Highways FEDERAL HIGHWAY ADMINISTRATION, DEPARTMENT OF TRANSPORTATION TRANSPORTATION INFRASTRUCTURE MANAGEMENT PROJECTS OF NATIONAL AND REGIONAL SIGNIFICANCE EVALUATION AND RATING § 505.15 Full funding...

  7. Full-Text CD-ROM Libraries for International Development.

    ERIC Educational Resources Information Center

    Butler, Matilda

    1990-01-01

    Discusses the use of CD-ROM products in libraries and describes a full-text CD-ROM library, called the Compact Agricultural Library, that is being produced for developing nations. Topics discussed include CD-ROM and international development; making information more useable; full-text versus fielded information; editing and layout; hypertext; and…

  8. A Principal's Dilemma: Full Inclusion or Student's Best Interests?

    ERIC Educational Resources Information Center

    Oluwole, Joseph O.

    2009-01-01

    This case highlights one principal's struggle to reconcile his philosophy of full inclusion with the best interests of a student with serious emotional disturbance. It raises a number of issues that bring to light challenges posed by a system of full inclusion. It also provides an opportunity for educational leadership students and administrators…

  9. School Counselors and Full Inclusion for Children with Special Needs.

    ERIC Educational Resources Information Center

    Tarver-Behring, Shari; Spagna, Michael E.; Sullivan, James

    1998-01-01

    Counselors must become active participants in the practice of full inclusion of children with disabilities into classrooms with nondisabled youngsters. Full inclusion is distinguished from mainstreaming; successful models are reviewed. Topics of collaboration and consultation among counselors and teachers, building social adjustment, and…

  10. Full W-band Microstrip Fed Vivaldi Antenna

    NASA Astrophysics Data System (ADS)

    Rebollo, Ainara; Gonzalo, Ramón; Ederra, Iñigo

    2016-08-01

    A full W-band Vivaldi antenna is proposed. The selected feeding technique implements a broadband slotline to microstrip transition which allows obtaining return loss higher than 10 dB in the full W-band. The proposed configuration is compatible with standard manufacturing techniques such as photo-lithography or laser milling.

  11. 48 CFR 6101.28 - Full Board consideration [Rule 28].

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ..., GENERAL SERVICES ADMINISTRATION CONTRACT DISPUTE CASES 6101.28 Full Board consideration . (a) Requests by... matter to be referred is one of exceptional importance. (2) A request for full Board consideration may be... Board, no later than the last date on which any party may file a motion for reconsideration or...

  12. Full Text Psychology Journals Available from Popular Library Databases

    ERIC Educational Resources Information Center

    Joswick, Kathleen E.

    2006-01-01

    The author identified 433 core journals in psychology and investigated their full text availability in popular databases. While 62 percent of the studied journals were available in at least one database, access from individual databases ranged from 1.4 percent to 38.1 percent of the titles. The full text of influential psychology journals is not…

  13. 48 CFR 434.005-6 - Full production.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 4 2011-10-01 2011-10-01 false Full production. 434.005-6 Section 434.005-6 Federal Acquisition Regulations System DEPARTMENT OF AGRICULTURE SPECIAL CATEGORIES OF CONTRACTING MAJOR SYSTEM ACQUISITION General 434.005-6 Full production. The Secretary or the USDA...

  14. Inclusive Education in Italy: Description and Reflections on Full Inclusion

    ERIC Educational Resources Information Center

    Anastasiou, Dimitris; Kauffman, James M.; Di Nuovo, Santo

    2015-01-01

    Inclusion of students with disabilities when appropriate is an important goal of special education for students with special needs. Full inclusion, meaning no education for any child in a separate setting, is held to be desirable by some, and Italy is likely the nation with an education system most closely approximating full inclusion on the…

  15. 20 CFR 404.409 - What is full retirement age?

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 20 Employees' Benefits 2 2013-04-01 2013-04-01 false What is full retirement age? 404.409 Section 404.409 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Deductions; Reductions; and Nonpayments of Benefits § 404.409 What is full retirement...

  16. 20 CFR 404.409 - What is full retirement age?

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 20 Employees' Benefits 2 2014-04-01 2014-04-01 false What is full retirement age? 404.409 Section 404.409 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Deductions; Reductions; and Nonpayments of Benefits § 404.409 What is full retirement...

  17. 20 CFR 404.409 - What is full retirement age?

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 20 Employees' Benefits 2 2012-04-01 2012-04-01 false What is full retirement age? 404.409 Section 404.409 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Deductions; Reductions; and Nonpayments of Benefits § 404.409 What is full retirement...

  18. 20 CFR 404.409 - What is full retirement age?

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 20 Employees' Benefits 2 2010-04-01 2010-04-01 false What is full retirement age? 404.409 Section 404.409 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Deductions; Reductions; and Nonpayments of Benefits § 404.409 What is full retirement...

  19. 20 CFR 404.409 - What is full retirement age?

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 20 Employees' Benefits 2 2011-04-01 2011-04-01 false What is full retirement age? 404.409 Section 404.409 Employees' Benefits SOCIAL SECURITY ADMINISTRATION FEDERAL OLD-AGE, SURVIVORS AND DISABILITY INSURANCE (1950- ) Deductions; Reductions; and Nonpayments of Benefits § 404.409 What is full retirement...

  20. 42 CFR 21.43 - Examination; full grade and above.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 42 Public Health 1 2010-10-01 2010-10-01 false Examination; full grade and above. 21.43 Section 21.43 Public Health PUBLIC HEALTH SERVICE, DEPARTMENT OF HEALTH AND HUMAN SERVICES PERSONNEL COMMISSIONED OFFICERS Appointment § 21.43 Examination; full grade and above. The examination for appointment...

  1. 48 CFR 1852.214-72 - Full quantities.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 48 Federal Acquisition Regulations System 6 2011-10-01 2011-10-01 false Full quantities. 1852.214-72 Section 1852.214-72 Federal Acquisition Regulations System NATIONAL AERONAUTICS AND SPACE ADMINISTRATION CLAUSES AND FORMS SOLICITATION PROVISIONS AND CONTRACT CLAUSES Texts of Provisions and Clauses 1852.214-72 Full quantities. As prescribed...

  2. 7 CFR 762.103 - Full faith and credit.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 7 2012-01-01 2012-01-01 false Full faith and credit. 762.103 Section 762.103 Agriculture Regulations of the Department of Agriculture (Continued) FARM SERVICE AGENCY, DEPARTMENT OF AGRICULTURE SPECIAL PROGRAMS GUARANTEED FARM LOANS § 762.103 Full faith and credit. (a) Fraud...

  3. 7 CFR 762.103 - Full faith and credit.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 7 2014-01-01 2014-01-01 false Full faith and credit. 762.103 Section 762.103 Agriculture Regulations of the Department of Agriculture (Continued) FARM SERVICE AGENCY, DEPARTMENT OF AGRICULTURE SPECIAL PROGRAMS GUARANTEED FARM LOANS § 762.103 Full faith and credit. (a) Fraud...

  4. 49 CFR 236.507 - Brake application; full service.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 4 2011-10-01 2011-10-01 false Brake application; full service. 236.507 Section... Train Stop, Train Control and Cab Signal Systems Standards § 236.507 Brake application; full service... application of the brakes....

  5. 49 CFR 236.701 - Application, brake; full service.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 4 2012-10-01 2012-10-01 false Application, brake; full service. 236.701 Section... § 236.701 Application, brake; full service. An application of the brakes resulting from a continuous or a split reduction in brake pipe pressure at a service rate until maximum brake cylinder pressure...

  6. 49 CFR 236.507 - Brake application; full service.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 4 2012-10-01 2012-10-01 false Brake application; full service. 236.507 Section... Train Stop, Train Control and Cab Signal Systems Standards § 236.507 Brake application; full service... application of the brakes....

  7. 49 CFR 236.701 - Application, brake; full service.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 49 Transportation 4 2011-10-01 2011-10-01 false Application, brake; full service. 236.701 Section... § 236.701 Application, brake; full service. An application of the brakes resulting from a continuous or a split reduction in brake pipe pressure at a service rate until maximum brake cylinder pressure...

  8. 49 CFR 236.507 - Brake application; full service.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 4 2014-10-01 2014-10-01 false Brake application; full service. 236.507 Section... Train Stop, Train Control and Cab Signal Systems Standards § 236.507 Brake application; full service... application of the brakes....

  9. 49 CFR 236.701 - Application, brake; full service.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 4 2010-10-01 2010-10-01 false Application, brake; full service. 236.701 Section... § 236.701 Application, brake; full service. An application of the brakes resulting from a continuous or a split reduction in brake pipe pressure at a service rate until maximum brake cylinder pressure...

  10. 49 CFR 236.507 - Brake application; full service.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 49 Transportation 4 2010-10-01 2010-10-01 false Brake application; full service. 236.507 Section... Train Stop, Train Control and Cab Signal Systems Standards § 236.507 Brake application; full service... application of the brakes....

  11. 49 CFR 236.701 - Application, brake; full service.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 4 2013-10-01 2013-10-01 false Application, brake; full service. 236.701 Section... § 236.701 Application, brake; full service. An application of the brakes resulting from a continuous or a split reduction in brake pipe pressure at a service rate until maximum brake cylinder pressure...

  12. 49 CFR 236.507 - Brake application; full service.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 49 Transportation 4 2013-10-01 2013-10-01 false Brake application; full service. 236.507 Section... Train Stop, Train Control and Cab Signal Systems Standards § 236.507 Brake application; full service... application of the brakes....

  13. 49 CFR 236.701 - Application, brake; full service.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 49 Transportation 4 2014-10-01 2014-10-01 false Application, brake; full service. 236.701 Section... § 236.701 Application, brake; full service. An application of the brakes resulting from a continuous or a split reduction in brake pipe pressure at a service rate until maximum brake cylinder pressure...

  14. Data Compression in Full-Text Retrieval Systems.

    ERIC Educational Resources Information Center

    Bell, Timothy C.; And Others

    1993-01-01

    Describes compression methods for components of full-text systems such as text databases on CD-ROM. Topics discussed include storage media; structures for full-text retrieval, including indexes, inverted files, and bitmaps; compression tools; memory requirements during retrieval; and ranking and information retrieval. (Contains 53 references.)…

  15. ICCE/ICCAI 2000 Full & Short Papers (Methodologies).

    ERIC Educational Resources Information Center

    2000

    This document contains the full text of the following full and short papers on methodologies from ICCE/ICCAI 2000 (International Conference on Computers in Education/International Conference on Computer-Assisted Instruction): (1) "A Methodology for Learning Pattern Analysis from Web Logs by Interpreting Web Page Contents" (Chih-Kai Chang and…

  16. Full-Day Kindergarten: The Need for Quality

    ERIC Educational Resources Information Center

    Colorado Children's Campaign, 2008

    2008-01-01

    Because of the substantial impact on outcomes for children, states and school districts across the country are addressing issues surrounding early learning opportunities and school readiness for young children. Full-day kindergarten plays an important role in both. Colorado has made significant investments in full-day kindergarten as a means of…

  17. 23 CFR 505.15 - Full funding grant agreement.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 23 Highways 1 2012-04-01 2012-04-01 false Full funding grant agreement. 505.15 Section 505.15... MANAGEMENT PROJECTS OF NATIONAL AND REGIONAL SIGNIFICANCE EVALUATION AND RATING § 505.15 Full funding grant... be entered into only after the project has commitments for non-Federal funding in place and all...

  18. 48 CFR 634.005-6 - Full production.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 4 2010-10-01 2010-10-01 false Full production. 634.005-6 Section 634.005-6 Federal Acquisition Regulations System DEPARTMENT OF STATE SPECIAL CATEGORIES OF CONTRACTING MAJOR SYSTEM ACQUISITION 634.005-6 Full production. The Deputy Secretary is the agency head...

  19. 48 CFR 434.005-6 - Full production.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 48 Federal Acquisition Regulations System 4 2010-10-01 2010-10-01 false Full production. 434.005-6 Section 434.005-6 Federal Acquisition Regulations System DEPARTMENT OF AGRICULTURE SPECIAL CATEGORIES OF CONTRACTING MAJOR SYSTEM ACQUISITION General 434.005-6 Full production. The Secretary or the USDA...

  20. 29 CFR 779.408 - “Full-time students”.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... Students, Learners, and Handicapped Workers § 779.408 “Full-time students”. The 1961 Amendments added to... students,” under certain specified conditions, at wages lower than the minimum wage applicable under section 6. The student, to qualify for a special certificate must attend school full time and...

  1. 29 CFR 779.408 - “Full-time students”.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... Students, Learners, and Handicapped Workers § 779.408 “Full-time students”. The 1961 Amendments added to... students,” under certain specified conditions, at wages lower than the minimum wage applicable under section 6. The student, to qualify for a special certificate must attend school full time and...

  2. 29 CFR 779.408 - “Full-time students”.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... Students, Learners, and Handicapped Workers § 779.408 “Full-time students”. The 1961 Amendments added to... students,” under certain specified conditions, at wages lower than the minimum wage applicable under section 6. The student, to qualify for a special certificate must attend school full time and...

  3. Full-field vibrometry with digital Fresnel holography

    SciTech Connect

    Leval, Julien; Picart, Pascal; Boileau, Jean Pierre; Pascal, Jean Claude

    2005-09-20

    A setup that permits full-field vibration amplitude and phase retrieval with digital Fresnel holography is presented. Full reconstruction of the vibration is achieved with a three-step stroboscopic holographic recording, and an extraction algorithm is proposed. The finite temporal width of the illuminating light is considered in an investigation of the distortion of the measured amplitude and phase. In particular, a theoretical analysis is proposed and compared with numerical simulations that show good agreement. Experimental results are presented for a loudspeaker under sinusoidal excitation; the mean quadratic velocity extracted from amplitude evaluation under two different measuring conditions is presented. Comparison with time averaging validates the full-field vibrometer.

  4. Feasibility study of full-reactor gas core demonstration test

    NASA Technical Reports Server (NTRS)

    Kunze, J. F.; Lofthouse, J. H.; Shaffer, C. J.; Macbeth, P. J.

    1973-01-01

    Separate studies of nuclear criticality, flow patterns, and thermodynamics for the gas core reactor concept have all given positive indications of its feasibility. However, before serious design for a full scale gas core application can be made, feasibility must be shown for operation with full interaction of the nuclear, thermal, and hydraulic effects. A minimum sized, and hence minimum expense, test arrangement is considered for a full gas core configuration. It is shown that the hydrogen coolant scattering effects dominate the nuclear considerations at elevated temperatures. A cavity diameter of somewhat larger than 4 ft (122 cm) will be needed if temperatures high enough to vaporize uranium are to be achieved.

  5. AB 1007 Full Fuel Cycle Analysis (FFCA) Peer Review

    SciTech Connect

    Rice, D; Armstrong, D; Campbell, C; Lamont, A; Gallegos, G; Stewart, J; Upadhye, R

    2007-01-19

    LLNL is a participant of California's Advanced Energy Pathways (AEP) team funded by DOE (NETL). At the AEP technical review meeting on November 9, 2006. The AB 1007 FFCA team (Appendix A) requested LLNL participate in a peer review of the FFCA reports. The primary contact at the CEC was McKinley Addy. The following reports/presentations were received by LLNL: (1) Full Fuel Cycle Energy and Emissions Assumptions dated September 2006, TIAX; (2) Full Fuel cycle Assessment-Well to Tank Energy Inputs, Emissions, and Water Impacts dated December 2006, TIAX; and (3) Full Fuel Cycle Analysis Assessment dated October 12, 2006, TIAX.

  6. Integrated Resilient Aircraft Control Project Full Scale Flight Validation

    NASA Technical Reports Server (NTRS)

    Bosworth, John T.

    2009-01-01

    Objective: Provide validation of adaptive control law concepts through full scale flight evaluation. Technical Approach: a) Engage failure mode - destabilizing or frozen surface. b) Perform formation flight and air-to-air tracking tasks. Evaluate adaptive algorithm: a) Stability metrics. b) Model following metrics. Full scale flight testing provides an ability to validate different adaptive flight control approaches. Full scale flight testing adds credence to NASA's research efforts. A sustained research effort is required to remove the road blocks and provide adaptive control as a viable design solution for increased aircraft resilience.

  7. National Offshore Wind Energy Grid Interconnection Study Full Report

    SciTech Connect

    Daniel, John P.; Liu, Shu; Ibanez, Eduardo; Pennock, Ken; Reed, Gregory; Hanes, Spencer

    2014-07-30

    The National Offshore Wind Energy Grid Interconnection Study (NOWEGIS) considers the availability and potential impacts of interconnecting large amounts of offshore wind energy into the transmission system of the lower 48 contiguous United States.

  8. Is Full-Day Kindergarten Worth It? an Academic Comparison of Full-Day and Half-Day Kindergarten Programs

    ERIC Educational Resources Information Center

    Romines, Robert A.

    2012-01-01

    The purpose of this study is to answer this question: Which is academically superior for young children, full-or half-day kindergarten? This inquiry-oriented case study was designed to compare and contrast students who attended half-day versus full-day kindergarten programs in a suburban public school district. The study is necessary because the…

  9. Correlates of Graduating with a Full-Time Job versus a Full-Time Job Consistent with Major

    ERIC Educational Resources Information Center

    Blau, Gary; Hill, Theodore L.; Halbert, Terry A.; Snell, Corinne; Atwater, Graig A.; Kershner, Ronald; Zuckerman, M. Michael

    2016-01-01

    This is an exploratory study that compares the correlates of securing a full-time job at graduation to securing a full-time job at graduation consistent with one's major. Results are drawn from a sample of 310 graduating business school seniors who filled out a Fall 2014 survey. Results showed three positive correlates to graduating with a…

  10. Full-Day, Full-Year Early Care and Education Partnerships: Recommendations of the Collaborative Partners Work Group.

    ERIC Educational Resources Information Center

    Zito, Michael; Silver, Michael

    Although state and federal early care and education administrators have been encouraging providers to form partnerships to develop full-day, full-year service options in response to families' changing needs, regulatory differences have hampered the success of such partnerships. This report presents the recommendations of the Collaborative Partners…

  11. ES2MS: An interface package for passing self-consistent charge density and potential from Electronic Structure codes To Multiple Scattering codes

    NASA Astrophysics Data System (ADS)

    Xu, Junqing; Natoli, Calogero R.; Krüger, Peter; Hayakawa, Kuniko; Sébilleau, Didier; Song, Li; Hatada, Keisuke

    2016-06-01

    We present an interface package, called ES2MS, for passing self-consistent charge density and potential from Electronic Structure (ES) codes To Multiple Scattering (MS) codes. MS theory is based on the partitioning of the space by atomic-size scattering sites, so that the code provides the charge densities and potentials for each scattering site. For pseudo potential codes, the interface solves Poisson equation to construct the all-electron potential on the radial mesh which is used to solve the transition operators (T-matrix) and Green's functions in MS codes. We show the algorithm of the interface and the example for X-ray absorption spectra of graphene.

  12. Full-dimensional global potential energy surfaces describing abstraction and exchange for the H + H2S reaction

    NASA Astrophysics Data System (ADS)

    Lu, Dandan; Li, Jun

    2016-07-01

    For the H + H2S system, ˜34 000 data points are sampled over a large configuration space including both abstraction and exchange channels, and calculated at the level of explicitly correlated unrestricted coupled cluster method with singles, doubles, and perturbative triples excitations with the augmented correlation-consistent polarized triple zeta basis set (UCCSD(T)-F12a/aug-cc-pVTZ). The data set was fit using the newly proposed permutation invariant polynomial-neural network (PIP-NN) method with three different vectors as the input: two redundant sets of PIPs, one with the maximum order four (PES-I) and one with the maximum order three (PES-II), and nine non-redundant PIPs (PES-III). All these PESs show small fitting errors and essentially the same performance in representing the title system. Various kinetics and dynamical properties are calculated using the tunneling corrected transition state theory and quasi-classical trajectory, and compared with available experimental results. At a collision energy of 10 kcal/mol, both the H2 and SH products are found to be internally cold, with ˜20% of H2 at its first vibrational excited state, while SH is essentially a spectator. The angular distributions of the products are mainly in backward with considerable contributions from sideway direction. In addition, analytical partial derivatives of any PIP-NN PES with respect to the coordinates of atoms are derived by making use of the monomial symmetrization algorithm [Z. Xie and J. M. Bowman, J. Chem. Theory Comput. 6, 26-34 (2010)]. It can not only accelerate the evaluation of the derivatives, but also improve the energy convergence significantly.

  13. Forests on drained agricultural peatland are potentially large sources of greenhouse gases - insights from a full rotation period simulation

    NASA Astrophysics Data System (ADS)

    He, Hongxing; Jansson, Per-Erik; Svensson, Magnus; Björklund, Jesper; Tarvainen, Lasse; Klemedtsson, Leif; Kasimir, Åsa

    2016-04-01

    The CoupModel was used to simulate a Norway Spruce forest on fertile drained peat over 60 years, from planting in 1951 until 2011, describing abiotic, biotic and greenhouse gas (GHG) emissions (CO2 and N2O). By calibrating the model against tree ring derived biomass data and measured 6 year abiotic data we obtained a "reference" model by which we were able to describe the GHG fluxes and controlling factors over the 60 years. The GHG fluxes are composed of two important quantities, the forest carbon (C) uptake, 405 g C m‑2 yr‑1 and the decomposition of peat soil, 396 g C m‑2 yr‑1. N2O emissions contribute to the GHG emissions by 0.5 g N m‑2 yr‑1, corresponding to 56.8 g C m‑2 yr‑1. The 60-year-old Spruce forest has an accumulated biomass of 164 Mg C ha‑1. However, over this period 208 Mg C ha‑1 GHG has been added to the atmosphere, which means a net addition of GHG emissions. The main losses are from the peat soil and, indirectly, from forest thinning products, which we assume have a short lifetime. Model sensitivity analysis by changing initial soil C, drainage depth and initial soil C/N ratio also confirms that forests on drained agricultural peatland are a GHG source. We conclude that after harvest at an age of 80 years, most of the stored biomass carbon is liable to be released, the system having captured C only temporarily and with a cost of disappeared peat, adding both CO2 and N2O to the atmosphere.

  14. Forests on drained agricultural peatland are potentially large sources of greenhouse gases - insights from a full rotation period simulation

    NASA Astrophysics Data System (ADS)

    He, H.; Jansson, P.-E.; Svensson, M.; Björklund, J.; Tarvainen, L.; Klemedtsson, L.; Kasimir, Å.

    2015-12-01

    The CoupModel was used to simulate a Norway Spruce forest on fertile drained peat over 60 years, from planting in 1951 until 2011, describing abiotic, biotic and greenhouse gas (GHG) emissions (CO2 and N2O). By calibrating the model against tree ring data we obtained a "reference" model by which we were able to describe the fluxes and controlling factors over the 60 years. We discuss some conceptual issues relevant to improving the model in order to better understand peat soil simulations. However, the present model was able to describe the most important ecosystem dynamics such as the plant biomass development and GHG emissions. The GHG fluxes are composed of two important quantities, the forest carbon (C) uptake, 405 g C m-2 yr-1 and the decomposition of peat soil, 396 g C m-2 yr-1. N2O emissions contribute to the GHG emissions by 0.5 g N m-2 yr-1, corresponding to 56.8 g C m-2 yr-1. The 60-year-old Spruce forest has an accumulated biomass of 164 Mg C ha-1. However, over this period 208 Mg C ha-1 GHG has been added to the atmosphere, which means a net addition of GHG emissions. The main losses are from the peat soil and, indirectly, from forest thinning products, which we assume have a short lifetime. We conclude that after harvest at an age of 80 years, most of the stored biomass carbon is liable to be released, the system having captured C only temporarily and with a cost of disappeared peat, adding CO2 to the atmosphere.

  15. A new approach to the solution of large, full matrix equations: A two-dimensional potential flow feasibility study

    NASA Technical Reports Server (NTRS)

    James, R. M.; Clark, R. W.

    1979-01-01

    An approach to the solution of matrix problems resulting from integral equations of mathematical physics is presented. Based on the inherent smoothness in such equations, the problem is reformulated using a set of orthogonal basis vectors, leading to an equivalent coefficient problem which can be of lower order without significantly impairing the accuracy of the solution. This approach was evaluated using a two-dimensional Neumann problem describing the inviscid, incompressible flow over an airfoil. Two different kinds of mode functions were investigated, namely eigenfunction series and Fourier series. The method using Fourier series was found preferable. It uses all of the coefficients from a Fast Fourier Transform algorithm in an approximate method which exploits the known structure of the transformed coefficient matrix and very promising results for the flow over a realistic airfoil are obtained. On the basis of the results presented here, an order of magnitude reduction in this computer time can be expected for such problems as compared with the time for a direct matrix solution.

  16. Forests on drained agricultural peatland are potentially large sources of greenhouse gases - insights from a full rotation period simulation

    NASA Astrophysics Data System (ADS)

    He, Hongxing; Jansson, Per-Erik; Svensson, Magnus; Björklund, Jesper; Tarvainen, Lasse; Klemedtsson, Leif; Kasimir, Åsa

    2016-04-01

    The CoupModel was used to simulate a Norway spruce forest on fertile drained peat over 60 years, from planting in 1951 until 2011, describing abiotic, biotic and greenhouse gas (GHG) emissions (CO2 and N2O). By calibrating the model against tree ring data a "vegetation fitted" model was obtained by which we were able to describe the fluxes and controlling factors over the 60 years. We discuss some conceptual issues relevant to improving the model in order to better understand peat soil simulations. However, the present model was able to describe the most important ecosystem dynamics such as the plant biomass development and GHG emissions. The GHG fluxes are composed of two important quantities, the spruce forest carbon (C) uptake, 413 g C m-2 yr-1 and the decomposition of peat soil, 399 g C m-2 yr-1. N2O emissions contribute to the GHG emissions by up to 0.7 g N m-2 yr-1, corresponding to 76 g C m-2 yr-1. The 60-year old spruce forest has an accumulated biomass of 16.0 kg C m-2 (corresponding to 60 kg CO2 m-2). However, over this period, 26.4 kg C m-2 (97 kg CO2eq m-2) has been added to the atmosphere, as both CO2 and N2O originating from the peat soil and, indirectly, from forest thinning products, which we assume have a short lifetime. We conclude that after harvest at an age of 80 years, most of the stored biomass carbon is liable to be released, the system having captured C only temporarily and with a cost of disappeared peat, adding CO2 to the atmosphere.

  17. Forests on drained agricultural peatland are potentially large sources of greenhouse gases - insights from a full rotation period simulation

    NASA Astrophysics Data System (ADS)

    He, Hongxing; Jansson, Per-Erik; Svensson, Magnus; Björklund, Jesper; Tarvainen, Lasse; Klemedtsson, Leif; Kasimir, Åsa

    2016-04-01

    The CoupModel was used to simulate a Norway Spruce forest on fertile drained peat over 60 years, from planting in 1951 until 2011, describing abiotic, biotic and greenhouse gas (GHG) emissions (CO2 and N2O). By calibrating the model against tree ring derived biomass data and measured 6 year abiotic data we obtained a "reference" model by which we were able to describe the GHG fluxes and controlling factors over the 60 years. The GHG fluxes are composed of two important quantities, the forest carbon (C) uptake, 405 g C m-2 yr-1 and the decomposition of peat soil, 396 g C m-2 yr-1. N2O emissions contribute to the GHG emissions by 0.5 g N m-2 yr-1, corresponding to 56.8 g C m-2 yr-1. The 60-year-old Spruce forest has an accumulated biomass of 164 Mg C ha-1. However, over this period 208 Mg C ha-1 GHG has been added to the atmosphere, which means a net addition of GHG emissions. The main losses are from the peat soil and, indirectly, from forest thinning products, which we assume have a short lifetime. Model sensitivity analysis by changing initial soil C, drainage depth and initial soil C/N ratio also confirms that forests on drained agricultural peatland are a GHG source. We conclude that after harvest at an age of 80 years, most of the stored biomass carbon is liable to be released, the system having captured C only temporarily and with a cost of disappeared peat, adding both CO2 and N2O to the atmosphere.

  18. Full-dimensional global potential energy surfaces describing abstraction and exchange for the H + H2S reaction.

    PubMed

    Lu, Dandan; Li, Jun

    2016-07-01

    For the H + H2S system, ∼34 000 data points are sampled over a large configuration space including both abstraction and exchange channels, and calculated at the level of explicitly correlated unrestricted coupled cluster method with singles, doubles, and perturbative triples excitations with the augmented correlation-consistent polarized triple zeta basis set (UCCSD(T)-F12a/aug-cc-pVTZ). The data set was fit using the newly proposed permutation invariant polynomial-neural network (PIP-NN) method with three different vectors as the input: two redundant sets of PIPs, one with the maximum order four (PES-I) and one with the maximum order three (PES-II), and nine non-redundant PIPs (PES-III). All these PESs show small fitting errors and essentially the same performance in representing the title system. Various kinetics and dynamical properties are calculated using the tunneling corrected transition state theory and quasi-classical trajectory, and compared with available experimental results. At a collision energy of 10 kcal/mol, both the H2 and SH products are found to be internally cold, with ∼20% of H2 at its first vibrational excited state, while SH is essentially a spectator. The angular distributions of the products are mainly in backward with considerable contributions from sideway direction. In addition, analytical partial derivatives of any PIP-NN PES with respect to the coordinates of atoms are derived by making use of the monomial symmetrization algorithm [Z. Xie and J. M. Bowman, J. Chem. Theory Comput. 6, 26-34 (2010)]. It can not only accelerate the evaluation of the derivatives, but also improve the energy convergence significantly. PMID:27394104

  19. Realizing the Full Potential of Insertion Anodes for Mg-ion Batteries Through the Nano-Structuring of Sn

    SciTech Connect

    Parent, Lucas R.; Cheng, Yingwen; Sushko, Petr; Shao, Yuyan; Liu, Jun; Wang, Chong M.; Browning, Nigel D.

    2015-02-11

    For next-generation rechargeable batteries, magnesium is of great interest as an alternative to Lithium due to its relative abundance, low toxicity, and bivalent charge (3833 mAh/cm3 and 2205 mAh/g). However, Mg-ion batteries face unique challenges related to the formation of anode passivation layers, anode-electrolyte-cathode incompatibilities, slow solid-state Mg2+ diffusion, and ion trapping. Using analytical (scanning) transmission electron microscopy ((S)TEM) and ab initio modeling, we have investigated Mg2+ intercalation and extraction mechanisms in β-SnSb alloy nanoparticles (NPs). During the first several charge-discharge cycles, the SnSb particles irreversibly break down into a network of pure-Sn and Sb-rich sub-particles, as Mg-ions replace Sn ions in the SnSb lattice. Once the morphology has stabilized, the small Sn NPs (< 20 nm) are responsible for the majority of reversible storage capacity, while the Sb-rich particles trap substitutional-Mg atoms in the lattice and are significantly less active. This result strongly indicates that pure-Sn nanoparticles on a graphene support can act as a high capacity anode for Mg-ion batteries.

  20. 46. OFFICE INTERIOR FULL OF MACHINE PARTS, PAMPHLETS, AND ADVERTISEMENTS, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    46. OFFICE INTERIOR FULL OF MACHINE PARTS, PAMPHLETS, AND ADVERTISEMENTS, HARDWARE STORED IN SHELVES ALONG STUD WALLS-LOOKING WEST. - W. A. Young & Sons Foundry & Machine Shop, On Water Street along Monongahela River, Rices Landing, Greene County, PA

  1. 48 CFR 34.005-6 - Full production.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... production of successfully tested major systems selected from the full-scale development phase may be awarded if the agency head (a) reaffirms the mission need and program objectives and (b) grants approval...

  2. 48 CFR 34.005-6 - Full production.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... production of successfully tested major systems selected from the full-scale development phase may be awarded if the agency head (a) reaffirms the mission need and program objectives and (b) grants approval...

  3. View east, view of full length of canal, west wall ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    View east, view of full length of canal, west wall pileheads in foreground. - Delaware, Lackawanna & Western Railroad Freight & Rail Yard, Long Slip Canal, New Jersey Transit Hoboken Rail Yard, Hoboken, Hudson County, NJ

  4. 122. FULL STARBOARD VIEW UNDERWAY, IN CAMOUFLAGE PAINT SCHEME. 5 ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    122. FULL STARBOARD VIEW UNDERWAY, IN CAMOUFLAGE PAINT SCHEME. 5 SEPTEMBER 1944. (NATIONAL ARCHIVES NO. 80-G-284087) - U.S.S. HORNET, Puget Sound Naval Shipyard, Sinclair Inlet, Bremerton, Kitsap County, WA

  5. Directory of U.S. Full-Text System Vendors.

    ERIC Educational Resources Information Center

    Blue, Richard I.

    1979-01-01

    Lists organizations in the United States which sell or lease software or provide subscription service for on-line information retrieval from the full text of documents in user-provided data bases. (Author/CWM)

  6. Apparatus and method for detecting full-capture radiation events

    DOEpatents

    Odell, Daniel M. C.

    1994-01-01

    An apparatus and method for sampling the output signal of a radiation detector and distinguishing full-capture radiation events from Compton scattering events. The output signal of a radiation detector is continuously sampled. The samples are converted to digital values and input to a discriminator where samples that are representative of events are identified. The discriminator transfers only event samples, that is, samples representing full-capture events and Compton events, to a signal processor where the samples are saved in a three-dimensional count matrix with time (from the time of onset of the pulse) on the first axis, sample pulse current amplitude on the second axis, and number of samples on the third axis. The stored data are analyzed to separate the Compton events from full-capture events, and the energy of the full-capture events is determined without having determined the energies of any of the individual radiation detector events.

  7. Method to integrate full particle orbit in toroidal plasmas

    NASA Astrophysics Data System (ADS)

    Wei, X. S.; Xiao, Y.; Kuley, A.; Lin, Z.

    2015-09-01

    It is important to integrate full particle orbit accurately when studying charged particle dynamics in electromagnetic waves with frequency higher than cyclotron frequency. We have derived a form of the Boris scheme using magnetic coordinates, which can be used effectively to integrate the cyclotron orbit in toroidal geometry over a long period of time. The new method has been verified by a full particle orbit simulation in toroidal geometry without high frequency waves. The full particle orbit calculation recovers guiding center banana orbit. This method has better numeric properties than the conventional Runge-Kutta method for conserving particle energy and magnetic moment. The toroidal precession frequency is found to match that from guiding center simulation. Many other important phenomena in the presence of an electric field, such as E × B drift, Ware pinch effect and neoclassical polarization drift are also verified by the full orbit simulation.

  8. Apparatus and method for detecting full-capture radiation events

    DOEpatents

    Odell, D.M.C.

    1994-10-11

    An apparatus and method are disclosed for sampling the output signal of a radiation detector and distinguishing full-capture radiation events from Compton scattering events. The output signal of a radiation detector is continuously sampled. The samples are converted to digital values and input to a discriminator where samples that are representative of events are identified. The discriminator transfers only event samples, that is, samples representing full-capture events and Compton events, to a signal processor where the samples are saved in a three-dimensional count matrix with time (from the time of onset of the pulse) on the first axis, sample pulse current amplitude on the second axis, and number of samples on the third axis. The stored data are analyzed to separate the Compton events from full-capture events, and the energy of the full-capture events is determined without having determined the energies of any of the individual radiation detector events. 4 figs.

  9. View of steel warehouses on Ellsberg Drive, building 710 full ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    View of steel warehouses on Ellsberg Drive, building 710 full building at center; camera facing southeast. - Naval Supply Annex Stockton, Steel Warehouse Type, Between James & Humphreys Drives south of Embarcadero, Stockton, San Joaquin County, CA

  10. LANDSAT-4 horizon scanner full orbit data averages

    NASA Technical Reports Server (NTRS)

    Stanley, J. P.; Bilanow, S.

    1983-01-01

    Averages taken over full orbit data spans of the pitch and roll residual measurement errors of the two conical Earth sensors operating on the LANDSAT 4 spacecraft are described. The variability of these full orbit averages over representative data throughtout the year is analyzed to demonstrate the long term stability of the sensor measurements. The data analyzed consist of 23 segments of sensor measurements made at 2 to 4 week intervals. Each segment is roughly 24 hours in length. The variation of full orbit average as a function of orbit within a day as a function of day of year is examined. The dependence on day of year is based on association the start date of each segment with the mean full orbit average for the segment. The peak-to-peak and standard deviation values of the averages for each data segment are computed and their variation with day of year are also examined.

  11. 6. DOWNSTREAM SIDE OF LOWER MITER GATES WITH FULL LOCK ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    6. DOWNSTREAM SIDE OF LOWER MITER GATES WITH FULL LOCK CHAMBER, VISITORS, AND LOCKMASTER'S HOUSE IN BACKGROUND. VIEW TO NORTHEAST. - Starved Rock Locks & Dam, Illinois Waterway River mile 231, Peru, La Salle County, IL

  12. Full supersymmetry simulation for ATLAS in DC1

    SciTech Connect

    Biglietti, Michela; Brochu, Frederic; Costanzo, Davide; De, Kaushik; Duchovni, Ehud; Gupta, Ambreesh; Hinchliffe, Ian; Lester, Chris; Lipniacka, Anna; Loch, Peter; Lytken, Else; Ma, Hong; Nielsen, Jakob L.; Paige, Frank; Polesello, Giacomo; Rajagopalan, Srini; Schrager, Dan; Stavropoulos, Georgios; Tovey, Dan; Wielers, Monika

    2004-01-26

    This note reports results from a simulation of 100k events for one example of a minimal SUGRA supersymmetry case at the LHC using full simulation of the ATLAS detector. It was carried out as part ATLAS Data Challenge 1.

  13. 129. FULL AERIAL VIEW SHOWING FORWARD PORT QUARTER, ENTERING PEARL ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    129. FULL AERIAL VIEW SHOWING FORWARD PORT QUARTER, ENTERING PEARL HARBOR AFTER APOLLO 11 RECOVERY. 26 JULY 1969. (NATIONAL ARCHIVES NO. 428-KN-18090) - U.S.S. HORNET, Puget Sound Naval Shipyard, Sinclair Inlet, Bremerton, Kitsap County, WA

  14. High-voltage compatible, full-depleted CCD

    DOEpatents

    Holland, Stephen Edward

    2007-09-18

    A charge coupled device for detecting electromagnetic and particle radiation is described. The device includes a high-resistivity semiconductor substrate, buried channel regions, gate electrode circuitry, and amplifier circuitry. For good spatial resolution and high performance, especially when operated at high voltages with full or nearly full depletion of the substrate, the device can also include a guard ring positioned near channel regions, a biased channel stop, and a biased polysilicon electrode over the channel stop.

  15. Full complex modulation with two one-parameter SLMs

    NASA Technical Reports Server (NTRS)

    Juday, Richard D.; Florence, James M.

    1991-01-01

    Although the action of a spatial light modulator (SLM) is usually restricted to certain locations on the operating curve of the complex plane, NASA is planning to use architectures that allow two continuously variable SLMs to function jointly so as to access the full interior of a closed curve in the complex plane. This paper describes three fundamental methods for attaining full complex modulation. The mathematics for two of these methods is presented, and signal decomposition in their terms is outlined.

  16. Experimental Validation of Simulations Using Full-field Measurement Techniques

    SciTech Connect

    Hack, Erwin

    2010-05-28

    The calibration by reference materials of dynamic full-field measurement systems is discussed together with their use to validate numerical simulations of structural mechanics. The discussion addresses three challenges that are faced in these processes, i.e. how to calibrate a measuring instrument that (i) provides full-field data, and (ii) is dynamic; (iii) how to compare data from simulation and experimentation.

  17. Study on full-polarization hyperspectral imaging technology

    NASA Astrophysics Data System (ADS)

    Wei, Xiangyu; Zhou, Qiang; Zhong, Tenghui; Li, Yubo

    2014-02-01

    Since full-polarization parameter measurement can not be well combined with hyperspectral imaging technology yet , a new full-polarization hyperspectral imaging measurement structure using a dual optical path system was investigated. We utilized the hyperspectral1 interference imaging technology and polarization modulation technology based on electro-optic effect in our research. The polarization information, spectral information and spatial image information were acquired at the same time, which means the simultaneous measurement of hyperspectral information and full-polarization parameter was achieved. In this artical, the principle of the full-polarization parameter measurement was introduced at first. Then the experiment setup was shown and the optical elements were illustrated. Also,the detailed formula derivation steps of the full-Stokes vector was given. At last, some computer simulation data and experimental results were given. Through the combination of spectral imaging and full-polarization parameter measurement, the detecting information of the object is greatly enriched. This work will definitely be helpful to many optical remote sensing technology areas such as resources survey, environmental monitoring and military reconnaissan.

  18. Consumer views of hunger and fullness. A qualitative approach.

    PubMed

    Murray, Melinda; Vickers, Zata

    2009-10-01

    The objective of this study was to gain a better understanding of the complex ideas of hunger and fullness from consumers through the use of focus groups. We report results of 4 focus group interviews with (1) female normal weight dieters, (2) female normal weight non-dieters, (3) female overweight dieters and non-dieters, and (4) male normal weight dieters and non-dieters. Hunger and fullness sensations were described as having both physical and psychological components that were divided into two groups: typical and extreme. Overall, hunger was described as the presence of stomach growls, stomach hunger pains, emptiness, focus on eating, loss of energy, and desire to eat. Fullness was described as a feeling of food in the stomach, stomach stretch, satisfaction, contentment, energized, focused, and lack of the desire to eat. Typical fullness was described with many psychological components while typical hunger was primarily physical in nature. Participants described situations where sensations of mental hunger and physical fullness overlapped, which provided evidence that the overall constructs of hunger and fullness may not be simple, polar opposites.

  19. Industrial potential of lipoxygenases.

    PubMed

    Heshof, Ruud; de Graaff, Leo H; Villaverde, Juan J; Silvestre, Armando J D; Haarmann, Thomas; Dalsgaard, Trine K; Buchert, Johanna

    2016-08-01

    Lipoxygenases (LOXs) are iron- or manganese-containing oxidative enzymes found in plants, animals, bacteria and fungi. LOXs catalyze the oxidation of polyunsaturated fatty acids to the corresponding highly reactive hydroperoxides. Production of hydroperoxides by LOX can be exploited in different applications such as in bleaching of colored components, modification of lipids originating from different raw materials, production of lipid derived chemicals and production of aroma compounds. Most application research has been carried out using soybean LOX, but currently the use of microbial LOXs has also been reported. Development of LOX composition with high activity by heterologous expression in suitable production hosts would enable full exploitation of the potential of LOX derived reactions in different applications. Here, we review the biological role of LOXs, their heterologous production, as well as potential use in different applications. LOXs may fulfill an important role in the design of processes that are far more environmental friendly than currently used chemical reactions. Difficulties in screening for the optimal enzymes and producing LOX enzymes in sufficient amounts prevent large-scale application so far. With this review, we summarize current knowledge of LOX enzymes and the way in which they can be produced and applied.

  20. Digital modeling technology for full dental crown tooth preparation.

    PubMed

    Dai, Ning; Zhong, Yicheng; Liu, Hao; Yuan, Fusong; Sun, Yuchun

    2016-04-01

    A dental defect is one of the most common oral diseases, and it often requires a full crown restoration. In this clinical operation, the dentist must manually prepare the affected tooth for the full crown so that it has a convergence angle between 4° and 10°, no undercuts, and uniform and even shoulder widths and depths using a high speed diamond bur in the patient׳s mouth within one hour, which is a difficult task that requires visual-manual operation. The quality of the tooth preparation has an important effect on the success rate of the subsequent prosthodontic treatment. This study involved research into digital modeling technology for full dental crown tooth preparation. First, the margin line of the tooth preparation was designed using a semi-automatic interactive process. Second, the inserting direction was automatically computed. Then, the characteristic parameters and the constraints on the tooth preparation were defined for the model. Next, the shoulder and axial surface of the tooth preparation were formed using parametric modeling. Finally, the implicit surface of a radial basis function was used to construct the tooth preparation׳s occlusal surface. The experimental results verified that the method of digital modeling for full crown preparation proposed in this study can quickly and accurately implement personalized designs of various parameters, such as the shoulder width and the convergence angle; it provides a digital design tool for full crown preparation.

  1. Digital modeling technology for full dental crown tooth preparation.

    PubMed

    Dai, Ning; Zhong, Yicheng; Liu, Hao; Yuan, Fusong; Sun, Yuchun

    2016-04-01

    A dental defect is one of the most common oral diseases, and it often requires a full crown restoration. In this clinical operation, the dentist must manually prepare the affected tooth for the full crown so that it has a convergence angle between 4° and 10°, no undercuts, and uniform and even shoulder widths and depths using a high speed diamond bur in the patient׳s mouth within one hour, which is a difficult task that requires visual-manual operation. The quality of the tooth preparation has an important effect on the success rate of the subsequent prosthodontic treatment. This study involved research into digital modeling technology for full dental crown tooth preparation. First, the margin line of the tooth preparation was designed using a semi-automatic interactive process. Second, the inserting direction was automatically computed. Then, the characteristic parameters and the constraints on the tooth preparation were defined for the model. Next, the shoulder and axial surface of the tooth preparation were formed using parametric modeling. Finally, the implicit surface of a radial basis function was used to construct the tooth preparation׳s occlusal surface. The experimental results verified that the method of digital modeling for full crown preparation proposed in this study can quickly and accurately implement personalized designs of various parameters, such as the shoulder width and the convergence angle; it provides a digital design tool for full crown preparation. PMID:26945598

  2. Full scale assessment of pansharpening methods and data products

    NASA Astrophysics Data System (ADS)

    Aiazzi, B.; Alparone, L.; Baronti, S.; Carlà, R.; Garzelli, A.; Santurri, L.

    2014-10-01

    Quality assessment of pansharpened images is traditionally carried out either at degraded spatial scale by checking the synthesis property ofWald's protocol or at the full spatial scale by separately checking the spectral and spatial consistencies. The spatial distortion of the QNR protocol and the spectral distortion of Khan's protocol may be combined into a unique quality index, referred to as hybrid QNR (HQNR), that is calculated at full scale. Alternatively, multiscale measurements of indices requiring a reference, like SAM, ERGAS and Q4, may be extrapolated to yield a quality measurement at the full scale of the fusion product, where a reference does not exist. Experiments on simulated Pĺeiades data, of which reference originals at full scale are available, highlight that quadratic polynomials having three-point support, i.e. fitting three measurements at as many progressively doubled scales, are adequate. Q4 is more suitable for extrapolation than ERGAS and SAM. The Q4 value predicted from multiscale measurements and the Q4 value measured at full scale thanks to the reference original, differ by very few percents for six different state-of-the-art methods that have been compared. HQNR is substantially comparable to the extrapolated Q4.

  3. Non-Markovian full counting statistics in quantum dot molecules.

    PubMed

    Xue, Hai-Bin; Jiao, Hu-Jun; Liang, Jiu-Qing; Liu, Wu-Ming

    2015-03-10

    Full counting statistics of electron transport is a powerful diagnostic tool for probing the nature of quantum transport beyond what is obtainable from the average current or conductance measurement alone. In particular, the non-Markovian dynamics of quantum dot molecule plays an important role in the nonequilibrium electron tunneling processes. It is thus necessary to understand the non-Markovian full counting statistics in a quantum dot molecule. Here we study the non-Markovian full counting statistics in two typical quantum dot molecules, namely, serially coupled and side-coupled double quantum dots with high quantum coherence in a certain parameter regime. We demonstrate that the non-Markovian effect manifests itself through the quantum coherence of the quantum dot molecule system, and has a significant impact on the full counting statistics in the high quantum-coherent quantum dot molecule system, which depends on the coupling of the quantum dot molecule system with the source and drain electrodes. The results indicated that the influence of the non-Markovian effect on the full counting statistics of electron transport, which should be considered in a high quantum-coherent quantum dot molecule system, can provide a better understanding of electron transport through quantum dot molecules.

  4. Performance of CMOS ternary full adder at liquid nitrogen temperature

    NASA Astrophysics Data System (ADS)

    Srivastava, A.; Venkatapathy, K.

    We have designed, implemented and studied the performance at liquid nitrogen temperature (77 K) of a CMOS ternary full adder and its building blocks, the simple ternary inverter (STI), positive ternary inverter (PTI) and negative ternary inverter (NTI), and compared the corresponding performance at room temperature (300 K). The ternary full adder has been fabricated in 2 μm, n-well CMOS through MOSIS. In a ternary full adder, the basic building blocks, the PTI and NTI, have been developed using combinations of a CMOS inverter and transmission gate(s). There is close agreement between the simulated and measured voltage transfer characteristics and noise margins of ternary-valued devices. The measured transient times for the NTI, PTI and ternary full adder at 77 K show an improvement by a factor of ≈1.5-2.5 over the corresponding values at 300 K. The present design does not use linear resistors and depletion-mode MOSFETs to implement the ternary full adder and its building blocks, and is fully compatible with current CMOS technology.

  5. In vivo healthy knee kinematics during dynamic full flexion.

    PubMed

    Hamai, Satoshi; Moro-oka, Taka-aki; Dunbar, Nicholas J; Miura, Hiromasa; Iwamoto, Yukihide; Banks, Scott A

    2013-01-01

    Healthy knee kinematics during dynamic full flexion were evaluated using 3D-to-2D model registration techniques. Continuous knee motions were recorded during full flexion in a lunge from 85° to 150°. Medial and lateral tibiofemoral contacts and femoral internal-external and varus-valgus rotations were analyzed as a function of knee flexion angle. The medial tibiofemoral contact translated anteroposteriorly, but remained on the center of the medial compartment. On the other hand, the lateral tibiofemoral contact translated posteriorly to the edge of the tibial surface at 150° flexion. The femur exhibited external and valgus rotation relative to the tibia over the entire activity and reached 30° external and 5° valgus rotations at 150° flexion. Kinematics' data during dynamic full flexion may provide important insight as to the designing of high-flexion total knee prostheses.

  6. Direction Dependent Effects In Widefield Wideband Full Stokes Radio Imaging

    NASA Astrophysics Data System (ADS)

    Jagannathan, Preshanth; Bhatnagar, Sanjay; Rau, Urvashi; Taylor, Russ

    2015-01-01

    Synthesis imaging in radio astronomy is affected by instrumental and atmospheric effects which introduce direction dependent gains.The antenna power pattern varies both as a function of time and frequency. The broad band time varying nature of the antenna power pattern when not corrected leads to gross errors in full stokes imaging and flux estimation. In this poster we explore the errors that arise in image deconvolution while not accounting for the time and frequency dependence of the antenna power pattern. Simulations were conducted with the wideband full stokes power pattern of the Very Large Array(VLA) antennas to demonstrate the level of errors arising from direction-dependent gains. Our estimate is that these errors will be significant in wide-band full-pol mosaic imaging as well and algorithms to correct these errors will be crucial for many up-coming large area surveys (e.g. VLASS)

  7. Continuous full filling capillary electrochromatography: nanoparticle synthesis and evaluation.

    PubMed

    Spégel, Peter; Viberg, Peter; Carlstedt, Jonas; Petersson, Patrik; Jörntén-Karlsson, Magnus

    2007-06-22

    Reversed phase continuous full filling capillary electrochromatography with electrospray ionisation mass spectrometric detection was performed with highly sulphated poly[styrene-co-(lauryl methacrylate)-co-(divinylbenzene)] nanoparticles. The nanoparticles that contained a hydrophobic core and a hydrophilic surface were prepared in a one step synthesis using soap free emulsion polymerisation. By changing the concentration of monomers, the polymerisation temperature, and the polarity of the dispersive phase, the size of the nanoparticles could be controlled. With the optimised conditions, nanoparticles with an average size of 157 nm were obtained. These nanoparticles were dispersed in the background electrolyte and used for reversed phase continuous full filling. An orthogonal electrospray ionisation interface was used to separate the eluting nanoparticles from the eluting analytes prior to mass spectrometry detection. Compared to previous studies on reversed phase continuous full filling, the retention, the separation efficiency, and the resolution of a homologous series of dialkyl phthalates were greatly improved.

  8. Modular properties of full 5D SYM partition function

    NASA Astrophysics Data System (ADS)

    Qiu, Jian; Tizzano, Luigi; Winding, Jacob; Zabzine, Maxim

    2016-03-01

    We study properties of the full partition function for the U(1) 5D N = {2}^{ast } gauge theory with adjoint hypermultiplet of mass M . This theory is ultimately related to abelian 6D (2,0) theory. We construct the full non-perturbative partition function on toric Sasaki-Einstein manifolds by gluing flat copies of the Nekrasov partition function and we express the full partition function in terms of the generalized double elliptic gamma function G 2 C associated with a certain moment map cone C. The answer exhibits a curious SL(4 , ℤ) modular property. Finally, we propose a set of rules to construct the partition function that resembles the calculation of 5d supersymmetric partition function with the insert ion of defects of various co-dimensions.

  9. Full-search-equivalent pattern matching with incremental dissimilarity approximations.

    PubMed

    Tombari, Federico; Mattoccia, Stefano; Di Stefano, Luigi

    2009-01-01

    This paper proposes a novel method for fast pattern matching based on dissimilarity functions derived from the Lp norm, such as the Sum of Squared Differences (SSD) and the Sum of Absolute Differences (SAD). The proposed method is full-search equivalent, i.e. it yields the same results as the Full Search (FS) algorithm. In order to pursue computational savings the method deploys a succession of increasingly tighter lower bounds of the adopted Lp norm-based dissimilarity function. Such bounding functions allow for establishing a hierarchy of pruning conditions aimed at skipping rapidly those candidates that cannot satisfy the matching criterion. The paper includes an experimental comparison between the proposed method and other full-search equivalent approaches known in literature, which proves the remarkable computational efficiency of our proposal. PMID:19029551

  10. Three-dimensional plasmonic stereoscopic prints in full colour

    NASA Astrophysics Data System (ADS)

    Goh, Xiao Ming; Zheng, Yihan; Tan, Shawn J.; Zhang, Lei; Kumar, Karthik; Qiu, Cheng-Wei; Yang, Joel K. W.

    2014-11-01

    Metal nanostructures can be designed to scatter different colours depending on the polarization of the incident light. Such spectral control is attractive for applications such as high-density optical storage, but challenges remain in creating microprints with a single-layer architecture that simultaneously enables full-spectral and polarization control of the scattered light. Here we demonstrate independently tunable biaxial colour pixels composed of isolated nanoellipses or nanosquare dimers that can exhibit a full range of colours in reflection mode with linear polarization dependence. Effective polarization-sensitive full-colour prints are realized. With this, we encoded two colour images within the same area and further use this to achieve depth perception by realizing three-dimensional stereoscopic colour microprint. Coupled with the low cost and durability of aluminium as the functional material in our pixel design, such polarization-sensitive encoding can realize a wide spectrum of applications in colour displays, data storage and anti-counterfeiting technologies.

  11. Three-dimensional plasmonic stereoscopic prints in full colour.

    PubMed

    Goh, Xiao Ming; Zheng, Yihan; Tan, Shawn J; Zhang, Lei; Kumar, Karthik; Qiu, Cheng-Wei; Yang, Joel K W

    2014-11-04

    Metal nanostructures can be designed to scatter different colours depending on the polarization of the incident light. Such spectral control is attractive for applications such as high-density optical storage, but challenges remain in creating microprints with a single-layer architecture that simultaneously enables full-spectral and polarization control of the scattered light. Here we demonstrate independently tunable biaxial colour pixels composed of isolated nanoellipses or nanosquare dimers that can exhibit a full range of colours in reflection mode with linear polarization dependence. Effective polarization-sensitive full-colour prints are realized. With this, we encoded two colour images within the same area and further use this to achieve depth perception by realizing three-dimensional stereoscopic colour microprint. Coupled with the low cost and durability of aluminium as the functional material in our pixel design, such polarization-sensitive encoding can realize a wide spectrum of applications in colour displays, data storage and anti-counterfeiting technologies.

  12. The first full-length endogenous hepadnaviruses: identification and analysis.

    PubMed

    Liu, Wei; Pan, Shaokun; Yang, Huijuan; Bai, Weiya; Shen, Zhongliang; Liu, Jing; Xie, Youhua

    2012-09-01

    In silico screening of metazoan genome data identified multiple endogenous hepadnaviral elements in the budgerigar (Melopsittacus undulatus) genome, most notably two elements comprising about 1.3 × and 1.0 × the full-length genome. Phylogenetic and molecular dating analyses show that endogenous budgerigar hepatitis B viruses (eBHBV) share an ancestor with extant avihepadnaviruses and infiltrated the budgerigar genome millions of years ago. Identification of full-length genomes with preserved key features like ε signals could enable resurrection of ancient BHBV. PMID:22718817

  13. Calibration and imaging algorithms for full-Stokes optical interferometry

    NASA Astrophysics Data System (ADS)

    Elias, Nicholas M.; Mozurkewich, David; Schmidt, Luke M.; Jurgenson, Colby A.; Edel, Stanislav S.; Jones, Carol E.; Halonen, Robert J.; Schmitt, Henrique R.; Jorgensen, Anders M.; Hutter, Donald J.

    2012-07-01

    Optical interferometry and polarimetry have separately provided new insights into stellar astronomy, especially in the fields of fundamental parameters and atmospheric models. Optical interferometers will eventually add full-Stokes polarization measuring capabilities, thus combining both techniques. In this paper, we: 1) list the observables, calibration quantities, and data acquisition strategies for both limited and full optical interferometric polarimetry (OIP); 2) describe the masking interferometer AMASING and its polarization measuring enhancement called AMASING-POL; 3) show how a radio interferometry imaging package, CASA, can be used for optical interferometry data reduction; and 4) present imaging simulations for Be stars.

  14. Systems for animal exposure in full-scale fire tests

    NASA Technical Reports Server (NTRS)

    Hilado, C. J.; Cumming, H. J.; Kourtides, D. A.; Parker, J. A.

    1977-01-01

    Two systems for exposing animals in full-scale fire tests are described. Both systems involve the simultaneous exposure of two animal species, mice and rats, in modular units; determination of mortality, morbidity, and behavioral response; and analysis of the blood for carboxyhemoglobin. The systems described represent two of many possible options for obtaining bioassay data from full-scale fire tests. In situations where the temperatures to which the test animals are exposed can not be controlled, analytical techniques may be more appropriate than bioassay techniques.

  15. High Speed Capacitor-Inverter Based Carbon Nanotube Full Adder

    PubMed Central

    2010-01-01

    Carbon Nanotube filed-effect transistor (CNFET) is one of the promising alternatives to the MOS transistors. The geometry-dependent threshold voltage is one of the CNFET characteristics, which is used in the proposed Full Adder cell. In this paper, we present a high speed Full Adder cell using CNFETs based on majority-not (Minority) function. Presented design uses eight transistors and eight capacitors. Simulation results show significant improvement in terms of delay and power-delay product in comparison to contemporary CNFET Adder Cells. Simulations were carried out using HSPICE based on CNFET model with 0.6 V VDD. PMID:20671796

  16. High speed capacitor-inverter based carbon nanotube full adder.

    PubMed

    Navi, K; Rashtian, M; Khatir, A; Keshavarzian, P; Hashemipour, O

    2010-01-01

    Carbon Nanotube filed-effect transistor (CNFET) is one of the promising alternatives to the MOS transistors. The geometry-dependent threshold voltage is one of the CNFET characteristics, which is used in the proposed Full Adder cell. In this paper, we present a high speed Full Adder cell using CNFETs based on majority-not (Minority) function. Presented design uses eight transistors and eight capacitors. Simulation results show significant improvement in terms of delay and power-delay product in comparison to contemporary CNFET Adder Cells. Simulations were carried out using HSPICE based on CNFET model with 0.6 V VDD. PMID:20671796

  17. Full-scale system impact analysis: Digital document storage project

    NASA Technical Reports Server (NTRS)

    1989-01-01

    The Digital Document Storage Full Scale System can provide cost effective electronic document storage, retrieval, hard copy reproduction, and remote access for users of NASA Technical Reports. The desired functionality of the DDS system is highly dependent on the assumed requirements for remote access used in this Impact Analysis. It is highly recommended that NASA proceed with a phased, communications requirement analysis to ensure that adequate communications service can be supplied at a reasonable cost in order to validate recent working assumptions upon which the success of the DDS Full Scale System is dependent.

  18. Fast full 4x4 Mueller polarimeter for endoscopic applications

    NASA Astrophysics Data System (ADS)

    Rivet, Sylvain; Bradu, Adrian; Podoleanu, Adrian

    2016-03-01

    A new set-up is proposed to measure the full polarimetric properties of a sample through an optical fiber, paving the way to full-Mueller endoscopic imaging. The technique combines a channeled spectrum polarimeter and an interferometer. This permits high-speed measurement of two Mueller matrices simultaneoulsy. The first matrix characterizes only the fiber while the second characterizes both fiber and sample. The instrument is validated on vacuum, a quarter-wave plate and a linear polarizer for single-point measurements. Insensitivity of the polarimetric measurement to fiber disturbances is proven while manipulating the fiber.

  19. Spontaneous emission from photonic crystals: full vectorial calculations

    PubMed

    Li; Lin; Zhang

    2000-05-01

    Quantum electrodynamics of atom spontaneous emission from a three-dimensional photonic crystal is studied in a full vectorial framework. The electromagnetic fields are quantized via solving the eigenproblem of photonic crystals with use of a plane-wave expansion method. It is found that the photon density of states and local density of states (LDOS) with a full band gap vary slowly near the edge of band gap, in significant contrast to the singular character predicted by the previous isotropic model. Therefore, the spontaneous emission can be solved by conventional Weisskopf-Wigner approximate theory, which yields a pure exponentially decaying behavior with a rate proportional to the LDOS.

  20. Full-length fuel rod behavior under severe accident conditions

    SciTech Connect

    Lombardo, N J; Lanning, D D; Panisko, F E

    1992-12-01

    This document presents an assessment of the severe accident phenomena observed from four Full-Length High-Temperature (FLHT) tests that were performed by the Pacific Northwest Laboratory (PNL) in the National Research Universal (NRU) reactor at Chalk River, Ontario, Canada. These tests were conducted for the US Nuclear Regulatory Commission (NRC) as part of the Severe Accident Research Program. The objectives of the test were to simulate conditions and provide information on the behavior of full-length fuel rods during hypothetical, small-break, loss-of-coolant severe accidents, in commercial light water reactors.