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Sample records for projector augmented-wave method

  1. Linear density response function in the projector augmented wave method

    DEFF Research Database (Denmark)

    Yan, Jun; Mortensen, Jens Jørgen; Jacobsen, Karsten Wedel

    2011-01-01

    We present an implementation of the linear density response function within the projector-augmented wave method with applications to the linear optical and dielectric properties of both solids, surfaces, and interfaces. The response function is represented in plane waves while the single...... functions of Si, C, SiC, AlP, and GaAs compare well with previous calculations. While optical properties of semiconductors, in particular excitonic effects, are generally not well described by ALDA, we obtain excellent agreement with experiments for the surface loss function of graphene and the Mg(0001...

  2. Localized atomic basis set in the projector augmented wave method

    DEFF Research Database (Denmark)

    Larsen, Ask Hjorth; Vanin, Marco; Mortensen, Jens Jørgen

    2009-01-01

    We present an implementation of localized atomic-orbital basis sets in the projector augmented wave (PAW) formalism within the density-functional theory. The implementation in the real-space GPAW code provides a complementary basis set to the accurate but computationally more demanding grid...

  3. Time-dependent density-functional theory in the projector augmented-wave method

    DEFF Research Database (Denmark)

    Walter, Michael; Häkkinen, Hannu; Lehtovaara, Lauri

    2008-01-01

    We present the implementation of the time-dependent density-functional theory both in linear-response and in time-propagation formalisms using the projector augmented-wave method in real-space grids. The two technically very different methods are compared in the linear-response regime where we...

  4. Projector augmented wave method: ab initio molecular dynamics ...

    Indian Academy of Sciences (India)

    Unknown

    kinetic energy is small and the wave function is smooth. However, the wave ... and various strategies have been developed. ... methods let us briefly review the history of augmented ..... alleviated by adding an intelligent zero: If an operator B.

  5. Ab initio nonequilibrium quantum transport and forces with the real-space projector augmented wave method

    DEFF Research Database (Denmark)

    Chen, Jingzhe; Thygesen, Kristian S.; Jacobsen, Karsten W.

    2012-01-01

    We present an efficient implementation of a nonequilibrium Green's function method for self-consistent calculations of electron transport and forces in nanostructured materials. The electronic structure is described at the level of density functional theory using the projector augmented wave method...... over k points and real space makes the code highly efficient and applicable to systems containing several hundreds of atoms. The method is applied to a number of different systems, demonstrating the effects of bias and gate voltages, multiterminal setups, nonequilibrium forces, and spin transport....

  6. Real-space grid implementation of the projector augmented wave method

    DEFF Research Database (Denmark)

    Mortensen, Jens Jørgen; Hansen, Lars Bruno; Jacobsen, Karsten Wedel

    2005-01-01

    A grid-based real-space implementation of the projector augmented wave sPAWd method of Blöchl fPhys. Rev. B 50, 17953 s1994dg for density functional theory sDFTd calculations is presented. The use of uniform three-dimensional s3Dd real-space grids for representing wave functions, densities...... valence wave functions that can be represented on relatively coarse grids. We demonstrate the accuracy of the method by calculating the atomization energies of 20 small molecules, and the bulk modulus and lattice constants of bulk aluminum. We show that the approach in terms of computational efficiency...... is comparable to standard plane-wave methods, but the memory requirements are higher....

  7. Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states

    International Nuclear Information System (INIS)

    Yu, Kuang; Libisch, Florian; Carter, Emily A.

    2015-01-01

    We report a new implementation of the density functional embedding theory (DFET) in the VASP code, using the projector-augmented-wave (PAW) formalism. Newly developed algorithms allow us to efficiently perform optimized effective potential optimizations within PAW. The new algorithm generates robust and physically correct embedding potentials, as we verified using several test systems including a covalently bound molecule, a metal surface, and bulk semiconductors. We show that with the resulting embedding potential, embedded cluster models can reproduce the electronic structure of point defects in bulk semiconductors, thereby demonstrating the validity of DFET in semiconductors for the first time. Compared to our previous version, the new implementation of DFET within VASP affords use of all features of VASP (e.g., a systematic PAW library, a wide selection of functionals, a more flexible choice of U correction formalisms, and faster computational speed) with DFET. Furthermore, our results are fairly robust with respect to both plane-wave and Gaussian type orbital basis sets in the embedded cluster calculations. This suggests that the density functional embedding method is potentially an accurate and efficient way to study properties of isolated defects in semiconductors

  8. Implementation of density functional theory method on object-oriented programming (C++) to calculate energy band structure using the projector augmented wave (PAW)

    Science.gov (United States)

    Alfianto, E.; Rusydi, F.; Aisyah, N. D.; Fadilla, R. N.; Dipojono, H. K.; Martoprawiro, M. A.

    2017-05-01

    This study implemented DFT method into the C++ programming language with object-oriented programming rules (expressive software). The use of expressive software results in getting a simple programming structure, which is similar to mathematical formula. This will facilitate the scientific community to develop the software. We validate our software by calculating the energy band structure of Silica, Carbon, and Germanium with FCC structure using the Projector Augmented Wave (PAW) method then compare the results to Quantum Espresso calculation’s results. This study shows that the accuracy of the software is 85% compared to Quantum Espresso.

  9. Implementation of density functional theory method on object-oriented programming (C++) to calculate energy band structure using the projector augmented wave (PAW)

    International Nuclear Information System (INIS)

    Alfianto, E; Rusydi, F; Aisyah, N D; Dipojono, H K; Martoprawiro, M A; Fadilla, R N

    2017-01-01

    This study implemented DFT method into the C++ programming language with object-oriented programming rules (expressive software). The use of expressive software results in getting a simple programming structure, which is similar to mathematical formula. This will facilitate the scientific community to develop the software. We validate our software by calculating the energy band structure of Silica, Carbon, and Germanium with FCC structure using the Projector Augmented Wave (PAW) method then compare the results to Quantum Espresso calculation’s results. This study shows that the accuracy of the software is 85% compared to Quantum Espresso. (paper)

  10. Assessing the standard Molybdenum projector augmented wave VASP potentials

    Energy Technology Data Exchange (ETDEWEB)

    Mattsson, Ann E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Multi-Scale Science

    2014-07-01

    Density Functional Theory (DFT) based Equation of State (EOS) construction is a prominent part of Sandia’s capabilities to support engineering sciences. This capability is based on augmenting experimental data with information gained from computational investigations, especially in those parts of the phase space where experimental data is hard, dangerous, or expensive to obtain. A key part of the success of the Sandia approach is the fundamental science work supporting the computational capability. Not only does this work enhance the capability to perform highly accurate calculations but it also provides crucial insight into the limitations of the computational tools, providing high confidence in the results even where results cannot be, or have not yet been, validated by experimental data. This report concerns the key ingredient of projector augmented-wave (PAW) potentials for use in pseudo-potential computational codes. Using the tools discussed in SAND2012-7389 we assess the standard Vienna Ab-initio Simulation Package (VASP) PAWs for Molybdenum.

  11. Kubo-Greenwood electrical conductivity formulation and implementation for projector augmented wave datasets

    Science.gov (United States)

    Calderín, L.; Karasiev, V. V.; Trickey, S. B.

    2017-12-01

    As the foundation for a new computational implementation, we survey the calculation of the complex electrical conductivity tensor based on the Kubo-Greenwood (KG) formalism (Kubo, 1957; Greenwood, 1958), with emphasis on derivations and technical aspects pertinent to use of projector augmented wave datasets with plane wave basis sets (Blöchl, 1994). New analytical results and a full implementation of the KG approach in an open-source Fortran 90 post-processing code for use with Quantum Espresso (Giannozzi et al., 2009) are presented. Named KGEC ([K]ubo [G]reenwood [E]lectronic [C]onductivity), the code calculates the full complex conductivity tensor (not just the average trace). It supports use of either the original KG formula or the popular one approximated in terms of a Dirac delta function. It provides both Gaussian and Lorentzian representations of the Dirac delta function (though the Lorentzian is preferable on basic grounds). KGEC provides decomposition of the conductivity into intra- and inter-band contributions as well as degenerate state contributions. It calculates the dc conductivity tensor directly. It is MPI parallelized over k-points, bands, and plane waves, with an option to recover the plane wave processes for their use in band parallelization as well. It is designed to provide rapid convergence with respect to k-point density. Examples of its use are given.

  12. Projector Augmented-Wave formulation of response to strain and electric field perturbation within the density-functional perturbation theory

    Science.gov (United States)

    Martin, Alexandre; Torrent, Marc; Caracas, Razvan

    2015-03-01

    A formulation of the response of a system to strain and electric field perturbations in the pseudopotential-based density functional perturbation theory (DFPT) has been proposed by D.R Hamman and co-workers. It uses an elegant formalism based on the expression of DFT total energy in reduced coordinates, the key quantity being the metric tensor and its first and second derivatives. We propose to extend this formulation to the Projector Augmented-Wave approach (PAW). In this context, we express the full elastic tensor including the clamped-atom tensor, the atomic-relaxation contributions (internal stresses) and the response to electric field change (piezoelectric tensor and effective charges). With this we are able to compute the elastic tensor for all materials (metals and insulators) within a fully analytical formulation. The comparison with finite differences calculations on simple systems shows an excellent agreement. This formalism has been implemented in the plane-wave based DFT ABINIT code. We apply it to the computation of elastic properties and seismic-wave velocities of iron with impurity elements. By analogy with the materials contained in meteorites, tested impurities are light elements (H, O, C, S, Si).

  13. Projector Method: theory and examples

    International Nuclear Information System (INIS)

    Dahl, E.D.

    1985-01-01

    The Projector Method technique for numerically analyzing lattice gauge theories was developed to take advantage of certain simplifying features of gauge theory models. Starting from a very general notion of what the Projector Method is, the techniques are applied to several model problems. After these examples have traced the development of the actual algorithm from the general principles of the Projector Method, a direct comparison between the Projector and the Euclidean Monte Carlo is made, followed by a discussion of the application to Periodic Quantum Electrodynamics in two and three spatial dimensions. Some methods for improving the efficiency of the Projector in various circumstances are outlined. 10 refs., 7 figs

  14. Comparison of the projector augmented-wave, pseudopotential, and linearized augmented-plane-wave formalisms for density-functional calculations of solids

    International Nuclear Information System (INIS)

    Holzwarth, N.A.; Matthews, G.E.; Dunning, R.B.; Tackett, A.R.; Zeng, Y.

    1997-01-01

    The projector augmented-wave (PAW) method was developed by Bloechl as a method to accurately and efficiently calculate the electronic structure of materials within the framework of density-functional theory. It contains the numerical advantages of pseudopotential calculations while retaining the physics of all-electron calculations, including the correct nodal behavior of the valence-electron wave functions and the ability to include upper core states in addition to valence states in the self-consistent iterations. It uses many of the same ideas developed by Vanderbilt in his open-quotes soft pseudopotentialclose quotes formalism and in earlier work by Bloechl in his open-quotes generalized separable potentials,close quotes and has been successfully demonstrated for several interesting materials. We have developed a version of the PAW formalism for general use in structural and dynamical studies of materials. In the present paper, we investigate the accuracy of this implementation in comparison with corresponding results obtained using pseudopotential and linearized augmented-plane-wave (LAPW) codes. We present results of calculations for the cohesive energy, equilibrium lattice constant, and bulk modulus for several representative covalent, ionic, and metallic materials including diamond, silicon, SiC, CaF 2 , fcc Ca, and bcc V. With the exception of CaF 2 , for which core-electron polarization effects are important, the structural properties of these materials are represented equally well by the PAW, LAPW, and pseudopotential formalisms. copyright 1997 The American Physical Society

  15. Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex.

    Science.gov (United States)

    Dohn, A O; Jónsson, E Ö; Levi, G; Mortensen, J J; Lopez-Acevedo, O; Thygesen, K S; Jacobsen, K W; Ulstrup, J; Henriksen, N E; Møller, K B; Jónsson, H

    2017-12-12

    A multiscale density functional theory-quantum mechanics/molecular mechanics (DFT-QM/MM) scheme is presented, based on an efficient electrostatic coupling between the electronic density obtained from a grid-based projector augmented wave (GPAW) implementation of density functional theory and a classical potential energy function. The scheme is implemented in a general fashion and can be used with various choices for the descriptions of the QM or MM regions. Tests on H 2 O clusters, ranging from dimer to decamer show that no systematic energy errors are introduced by the coupling that exceeds the differences in the QM and MM descriptions. Over 1 ns of liquid water, Born-Oppenheimer QM/MM molecular dynamics (MD) are sampled combining 10 parallel simulations, showing consistent liquid water structure over the QM/MM border. The method is applied in extensive parallel MD simulations of an aqueous solution of the diplatinum [Pt 2 (P 2 O 5 H 2 ) 4 ] 4- complex (PtPOP), spanning a total time period of roughly half a nanosecond. An average Pt-Pt distance deviating only 0.01 Å from experimental results, and a ground-state Pt-Pt oscillation frequency deviating by <2% from experimental results were obtained. The simulations highlight a remarkable harmonicity of the Pt-Pt oscillation, while also showing clear signs of Pt-H hydrogen bonding and directional coordination of water molecules along the Pt-Pt axis of the complex.

  16. Grid-Based Projector Augmented Wave (GPAW) Implementation of Quantum Mechanics/Molecular Mechanics (QM/MM) Electrostatic Embedding and Application to a Solvated Diplatinum Complex

    DEFF Research Database (Denmark)

    Dohn, A. O.; Jónsson, E. Ö.; Levi, Gianluca

    2017-01-01

    A multiscale density functional theory-quantum mechanics/molecular mechanics (DFT-QM/MM) scheme is presented, based on an efficient electrostatic coupling between the electronic density obtained from a grid-based projector augmented wave (GPAW) implementation of density functional theory...... and a classical potential energy function. The scheme is implemented in a general fashion and can be used with various choices for the descriptions of the QM or MM regions. Tests on H2O clusters, ranging from dimer to decamer show that no systematic energy errors are introduced by the coupling that exceeds...

  17. An implementation of core level spectroscopies in a real space Projector Augmented Wave density functional theory code

    DEFF Research Database (Denmark)

    Ljungberg, M.P.; Mortensen, Jens Jørgen; Pettersson, L.G.M.

    2011-01-01

    computation of unoccupied states. The absolute energy scale is computed with the Delta Kohn–Sham method which is possible using specific PAW setups for the core-hole states. We show computed spectra for selected test cases (gas phase H2O and bulk diamond) and discuss the dependence on grid spacing and box...

  18. Implementation of Constrained DFT for Computing Charge Transfer Rates within the Projector Augmented Wave Method

    DEFF Research Database (Denmark)

    Melander, Marko; Jónsson, Elvar Örn; Mortensen, Jens Jørgen

    2016-01-01

    molecules to periodic systems in one-, two-, or three-dimensions. As such, this implementation is relevant for a wide variety of applications. We also present how to extract the electronic coupling element and reorganization energy from the resulting diabatic cDFT-PAW wave functions for the parametrization...

  19. Using projector augmented-wave (PAW) formalism inside the density-functional perturbation theory; L'utilisation du formalisme PAW en theorie de la fonctionnelle de la densite perturbee

    Energy Technology Data Exchange (ETDEWEB)

    Audouze, Ch

    2006-07-01

    In condensed matter physics, ab-initio simulation allows to get macroscopic quantities (for example equations of state) from microscopic ones, as phonon frequencies which characterize the vibration Eigenmodes of the system. Therefore, one can theoretically predict the behavior of the material at very high pressure conditions, which can be out of reach by experiences. Computations of phonon spectrum are obtained thanks to the linear response theory, where the equations of Density Functional Theory (as the Kohn-Sham model) are perturbed around their fundamental state. The linear response functionality is one of the options included in the ABINIT code, which is an open source package developed in particular by a team of the CEA-DAM (DPTA) and the Catholic University of Louvain-la-Neuve (Belgium). Nevertheless, in spite of using pseudopotentials, computations of phonon spectrum are not tractable for heavy chemical elements, even on massively parallel computers. In order to overcome this difficulty, the linear response theory had to be extended to the PAW (Projector Augmented-Waves) formalism. In this CEA report, we first detail the PAW model, giving to it a more mathematical framework. Then we establish the linear response equations within the PAW formalism, up to the third order derivative of the total energy, for an isolated molecular system and for generic perturbations. Lastly, all these results are specified to the particular case of atom displacements and for perturbations associated to the change of an external potential in which the molecule is set. (author)

  20. Augmented wave ab initio EFG calculations: some methodological warnings

    International Nuclear Information System (INIS)

    Errico, Leonardo A.; Renteria, Mario; Petrilli, Helena M.

    2007-01-01

    We discuss some accuracy aspects inherent to ab initio electronic structure calculations in the understanding of nuclear quadrupole interactions. We use the projector augmented wave method to study the electric-field gradient (EFG) at both Sn and O sites in the prototype cases SnO and SnO 2 . The term ab initio is used in the standard context of the also called first principles methods in the framework of the Density Functional Theory. As the main contributions of EFG calculations to problems in condensed matter physics are related to structural characterizations on the atomic scale, we discuss the 'state of the art' on theoretical EFG calculations and make a brief critical review on the subject, calling attention to some fundamental theoretical aspects

  1. Augmented wave ab initio EFG calculations: some methodological warnings

    Energy Technology Data Exchange (ETDEWEB)

    Errico, Leonardo A. [Departamento de Fisica-IFLP (CONICET), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CC67 (1900) La Plata (Argentina); Renteria, Mario [Departamento de Fisica-IFLP (CONICET), Facultad de Ciencias Exactas, Universidad Nacional de La Plata, CC67 (1900) La Plata (Argentina); Petrilli, Helena M. [Instituto de Fisica-DFMT, Universidade de Sao Paulo, C.P. 66318, 05315-970 Sao Paulo, SP (Brazil)]. E-mail: hmpetril@macbeth.if.usp.br

    2007-02-01

    We discuss some accuracy aspects inherent to ab initio electronic structure calculations in the understanding of nuclear quadrupole interactions. We use the projector augmented wave method to study the electric-field gradient (EFG) at both Sn and O sites in the prototype cases SnO and SnO{sub 2}. The term ab initio is used in the standard context of the also called first principles methods in the framework of the Density Functional Theory. As the main contributions of EFG calculations to problems in condensed matter physics are related to structural characterizations on the atomic scale, we discuss the 'state of the art' on theoretical EFG calculations and make a brief critical review on the subject, calling attention to some fundamental theoretical aspects.

  2. Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

    DEFF Research Database (Denmark)

    Enkovaara, J.; Rostgaard, Carsten; Mortensen, Jens Jørgen

    2010-01-01

    Electronic structure calculations have become an indispensable tool in many areas of materials science and quantum chemistry. Even though the Kohn-Sham formulation of the density-functional theory (DFT) simplifies the many-body problem significantly, one is still confronted with several numerical...

  3. Speckle reduction methods in laser-based picture projectors

    Science.gov (United States)

    Akram, M. Nadeem; Chen, Xuyuan

    2016-02-01

    Laser sources have been promised for many years to be better light sources as compared to traditional lamps or light-emitting diodes (LEDs) for projectors, which enable projectors having wide colour gamut for vivid image, super brightness and high contrast for the best picture quality, long lifetime for maintain free operation, mercury free, and low power consumption for green environment. A major technology obstacle in using lasers for projection has been the speckle noise caused by to the coherent nature of the lasers. For speckle reduction, current state of the art solutions apply moving parts with large physical space demand. Solutions beyond the state of the art need to be developed such as integrated optical components, hybrid MOEMS devices, and active phase modulators for compact speckle reduction. In this article, major methods reported in the literature for the speckle reduction in laser projectors are presented and explained. With the advancement in semiconductor lasers with largely reduced cost for the red, green and the blue primary colours, and the developed methods for their speckle reduction, it is hoped that the lasers will be widely utilized in different projector applications in the near future.

  4. A Multi-Projector Calibration Method for Virtual Reality Simulators with Analytically Defined Screens

    Directory of Open Access Journals (Sweden)

    Cristina Portalés

    2017-06-01

    Full Text Available The geometric calibration of projectors is a demanding task, particularly for the industry of virtual reality simulators. Different methods have been developed during the last decades to retrieve the intrinsic and extrinsic parameters of projectors, most of them being based on planar homographies and some requiring an extended calibration process. The aim of our research work is to design a fast and user-friendly method to provide multi-projector calibration on analytically defined screens, where a sample is shown for a virtual reality Formula 1 simulator that has a cylindrical screen. The proposed method results from the combination of surveying, photogrammetry and image processing approaches, and has been designed by considering the spatial restrictions of virtual reality simulators. The method has been validated from a mathematical point of view, and the complete system—which is currently installed in a shopping mall in Spain—has been tested by different users.

  5. Calibration method for projector-camera-based telecentric fringe projection profilometry system.

    Science.gov (United States)

    Liu, Haibo; Lin, Huijing; Yao, Linshen

    2017-12-11

    By combining a fringe projection setup with a telecentric lens, a fringe pattern could be projected and imaged within a small area, making it possible to measure the three-dimensional (3D) surfaces of micro-components. This paper focuses on the flexible calibration of the fringe projection profilometry (FPP) system using a telecentric lens. An analytical telecentric projector-camera calibration model is introduced, in which the rig structure parameters remain invariant for all views, and the 3D calibration target can be located on the projector image plane with sub-pixel precision. Based on the presented calibration model, a two-step calibration procedure is proposed. First, the initial parameters, e.g., the projector-camera rig, projector intrinsic matrix, and coordinates of the control points of a 3D calibration target, are estimated using the affine camera factorization calibration method. Second, a bundle adjustment algorithm with various simultaneous views is applied to refine the calibrated parameters, especially the rig structure parameters and coordinates of the control points forth 3D target. Because the control points are determined during the calibration, there is no need for an accurate 3D reference target, whose is costly and extremely difficult to fabricate, particularly for tiny objects used to calibrate the telecentric FPP system. Real experiments were performed to validate the performance of the proposed calibration method. The test results showed that the proposed approach is very accurate and reliable.

  6. The principle of the Fermionic projector

    CERN Document Server

    Finster, Felix

    2006-01-01

    The "principle of the fermionic projector" provides a new mathematical framework for the formulation of physical theories and is a promising approach for physics beyond the standard model. This book begins with a brief review of relativity, relativistic quantum mechanics, and classical gauge theories, emphasizing the basic physical concepts and mathematical foundations. The external field problem and Klein's paradox are discussed and then resolved by introducing the fermionic projector, a global object in space-time that generalizes the notion of the Dirac sea. At the mathematical core of the book is a precise definition of the fermionic projector and the use of methods of hyperbolic differential equations for detailed analysis. The fermionic projector makes it possible to formulate a new type of variational principle in space-time. The mathematical tools are developed for the analysis of the corresponding Euler-Lagrange equations. A particular variational principle is proposed that gives rise to an effective...

  7. High-speed 3D surface measurement with mechanical projector

    Science.gov (United States)

    Hyun, Jae-Sang; Zhang, Song

    2017-05-01

    This paper presents a method to overcome the light spectral range limitation of using digital-light-processing (DLP) projector for 3D shape measurement by developing a mechanical projector. The mechanical projector enables much broader spectral range of light than that the DLP projector allows. The rapidly spinning disk with binary structures can generate desired sinusoidal patterns at a frequency of 10 kHz or higher with a single DC motor. By precisely synchronizing the camera with the projector, phase-shifted fringe patterns can be accurately captured for high-accuracy 3D shape measurement. We further employed a computational framework that could enable absolute phase and thus absolute 3D shape measurement. We developed such prototype system that experimentally demonstrated the success of the proposed method.

  8. Accurate projected augmented wave datasets for BaFe2As2

    International Nuclear Information System (INIS)

    Cao Chao; Wu Yuing; Hamdan, Rashid; Wang, Yunpeng; Cheng Haiping

    2010-01-01

    By carefully choosing parameters and including more semi-core orbitals as valence electrons, we have constructed a high-quality projected augmented wave dataset that yields results comparable to existing full-potential linearized augmented plane-wave calculations. The dataset was then applied to BaFe 2 As 2 to study the effects of different levels of structure optimization, as well as different choices of exchange-correlation functionals. It was found that the local density approximation exchange-correlation functional fails to find the correct spin-density-wave anti-ferromagnetic (SDW-AFM) ground state under full optimization, while the Perdew-Burke-Ernzerhof (PBE) exchange-correlation functional obtains the correct state but significantly overestimates the magnetism. The electronic structure of the SDW-AFM state is not very sensitive to structure optimizations with the PBE exchange-correlation functional because the positions of the As atoms are preserved under optimizations. We further investigated the Ba atom diffusion process on the BaFe 2 As 2 surface using the nudged elastic bands method. The Ba atom was found to be stable above the center of the squares formed by the surface As atoms, and a diffusion barrier of 1.2 eV was found. Our simulated scanning tunneling microscopy image suggests an ordered surface Ba atom structure, in agreement with Massee et al (2009 Phys. Rev. B 80 140507; van Heumen E et al 2010 arXiv:1009.3493v1).

  9. On the regularized fermionic projector of the vacuum

    Science.gov (United States)

    Finster, Felix

    2008-03-01

    We construct families of fermionic projectors with spherically symmetric regularization, which satisfy the condition of a distributional MP-product. The method is to analyze regularization tails with a power law or logarithmic scaling in composite expressions in the fermionic projector. The resulting regularizations break the Lorentz symmetry and give rise to a multilayer structure of the fermionic projector near the light cone. Furthermore, we construct regularizations which go beyond the distributional MP-product in that they yield additional distributional contributions supported at the origin. The remaining freedom for the regularization parameters and the consequences for the normalization of the fermionic states are discussed.

  10. On the regularized fermionic projector of the vacuum

    International Nuclear Information System (INIS)

    Finster, Felix

    2008-01-01

    We construct families of fermionic projectors with spherically symmetric regularization, which satisfy the condition of a distributional MP-product. The method is to analyze regularization tails with a power law or logarithmic scaling in composite expressions in the fermionic projector. The resulting regularizations break the Lorentz symmetry and give rise to a multilayer structure of the fermionic projector near the light cone. Furthermore, we construct regularizations which go beyond the distributional MP-product in that they yield additional distributional contributions supported at the origin. The remaining freedom for the regularization parameters and the consequences for the normalization of the fermionic states are discussed

  11. Projector bases and algebraic spinors

    International Nuclear Information System (INIS)

    Bergdolt, G.

    1988-01-01

    In the case of complex Clifford algebras a basis is constructed whose elements satisfy projector relations. The relations are sufficient conditions for the elements to span minimal ideals and hence to define algebraic spinors

  12. [The study of functional status in the perception of visual information depending on the method of technical color mixing on LCD and DLP projectors technology].

    Science.gov (United States)

    Merkulova, A G; Osokina, E S; Bukhtiiarov, I V

    2014-10-01

    The case of compare two ways of projection color visual images, characterized by different spatial-temporal characteristics of visual stimuli, presents the methodology and the set of techniques. Received comparative data, identifying risks of regulation disorder of the functional state and development general, mental and visual fatigue during prolonged strenuous visual activity, according to two types of test tasks, which are the most typical for the use of modern projectors to work with the audience, both inthe process of implementation of learning technologies and the collective take responsible decisions by expert groups that control of complex technological processes.

  13. Innovations in IR projector arrays

    Science.gov (United States)

    Cole, Barry E.; Higashi, B.; Ridley, Jeff A.; Holmen, J.; Newstrom, K.; Zins, C.; Nguyen, K.; Weeres, Steven R.; Johnson, Burgess R.; Stockbridge, Robert G.; Murrer, Robert Lee; Olson, Eric M.; Bergin, Thomas P.; Kircher, James R.; Flynn, David S.

    2000-07-01

    In the past year, Honeywell has developed a 512 X 512 snapshot scene projector containing pixels with very high radiance efficiency. The array can operate in both snapshot and raster mode. The array pixels have near black body characteristics, high radiance outputs, broad band performance, and high speed. IR measurements and performance of these pixels will be described. In addition, a vacuum probe station that makes it possible to select the best die for packaging and delivery based on wafer level radiance screening, has been developed and is in operation. This system, as well as other improvements, will be described. Finally, a review of the status of the present projectors and plans for future arrays is included.

  14. Color seamlessness in multi-projector displays using constrained gamut morphing.

    Science.gov (United States)

    Sajadi, Behzad; Lazarov, Maxim; Majumder, Aditi; Gopi, M

    2009-01-01

    Multi-projector displays show significant spatial variation in 3D color gamut due to variation in the chromaticity gamuts across the projectors, vignetting effect of each projector and also overlap across adjacent projectors. In this paper we present a new constrained gamut morphing algorithm that removes all these variations and results in true color seamlessness across tiled multiprojector displays. Our color morphing algorithm adjusts the intensities of light from each pixel of each projector precisely to achieve a smooth morphing from one projector's gamut to the other's through the overlap region. This morphing is achieved by imposing precise constraints on the perceptual difference between the gamuts of two adjacent pixels. In addition, our gamut morphing assures a C1 continuity yielding visually pleasing appearance across the entire display.We demonstrate our method successfully on a planar and a curved display using both low and high-end projectors. Our approach is completely scalable, efficient and automatic. We also demonstrate the real-time performance of our image correction algorithm on GPUs for interactive applications. To the best of our knowledge, this is the first work that presents a scalable method with a strong foundation in perception and realizes, for the first time, a truly seamless display where the number of projectors cannot be deciphered.

  15. CD roms and multimedia projector as complimentary educational ...

    African Journals Online (AJOL)

    This paper examines the potentials of utilizing Compact Disk Read Only Memory (CD-ROM) and the multimedia projector as complimentary educational technology for teaching music in colleges of education in Nigeria. While recognizing the problem of ineffective methods of teaching in Nigeria's educational system, the ...

  16. Efficient electronic structure methods applied to metal nanoparticles

    DEFF Research Database (Denmark)

    Larsen, Ask Hjorth

    of efficient approaches to density functional theory and the application of these methods to metal nanoparticles. We describe the formalism and implementation of localized atom-centered basis sets within the projector augmented wave method. Basis sets allow for a dramatic increase in performance compared....... The basis set method is used to study the electronic effects for the contiguous range of clusters up to several hundred atoms. The s-electrons hybridize to form electronic shells consistent with the jellium model, leading to electronic magic numbers for clusters with full shells. Large electronic gaps...... and jumps in Fermi level near magic numbers can lead to alkali-like or halogen-like behaviour when main-group atoms adsorb onto gold clusters. A non-self-consistent NewnsAnderson model is used to more closely study the chemisorption of main-group atoms on magic-number Au clusters. The behaviour at magic...

  17. Multi-projector auto-calibration and placement optimization for non-planar surfaces

    Science.gov (United States)

    Li, Dong; Xie, Jinghui; Zhao, Lu; Zhou, Lijing; Weng, Dongdong

    2015-10-01

    Non-planar projection has been widely applied in virtual reality and digital entertainment and exhibitions because of its flexible layout and immersive display effects. Compared with planar projection, a non-planar projection is more difficult to achieve because projector calibration and image distortion correction are difficult processes. This paper uses a cylindrical screen as an example to present a new method for automatically calibrating a multi-projector system in a non-planar environment without using 3D reconstruction. This method corrects the geometric calibration error caused by the screen's manufactured imperfections, such as an undulating surface or a slant in the vertical plane. In addition, based on actual projection demand, this paper presents the overall performance evaluation criteria for the multi-projector system. According to these criteria, we determined the optimal placement for the projectors. This method also extends to surfaces that can be parameterized, such as spheres, ellipsoids, and paraboloids, and demonstrates a broad applicability.

  18. The s-Ordered Fock Space Projectors Gained by the General Ordering Theorem

    International Nuclear Information System (INIS)

    Shähandeh Farid; Bazrafkan Mohammad Reza; Ashrafi Mahmoud

    2012-01-01

    Employing the general ordering theorem (GOT), operational methods and incomplete 2-D Hermite polynomials, we derive the t-ordered expansion of Fock space projectors. Using the result, the general ordered form of the coherent state projectors is obtained. This indeed gives a new integration formula regarding incomplete 2-D Hermite polynomials. In addition, the orthogonality relation of the incomplete 2-D Hermite polynomials is derived to resolve Dattoli's failure

  19. Topological susceptibility from twisted mass fermions using spectral projectors

    Energy Technology Data Exchange (ETDEWEB)

    Cichy, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Poznan Univ. (Poland). Faculty of Physics; Garcia-Ramos, E. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Humboldt-Universitaet, Berlin (Germany); Jansen, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Shindler, A. [Forschungszentrum Juelich (Germany). IAS; Forschungszentrum Juelich (Germany). IKP; Forschungszentrum Juelich (Germany). JCHP; Collaboration: European Twisted Mass Collaboration

    2013-12-15

    We discuss the computation of the topological susceptibility using the method of spectral projectors and dynamical twisted mass fermions. We present our analysis concerning the O(a)- improvement of the topological susceptibility and we show numerical results for N{sub f}=2 and N{sub f}=2+1+1 flavours, performing a study of the quark mass dependence in terms of leading order chiral perturbation theory.

  20. Projector primary-based optimization for superimposed projection mappings

    Science.gov (United States)

    Ahmed, Bilal; Lee, Jong Hun; Lee, Yong Yi; Lee, Kwan H.

    2018-01-01

    Recently, many researchers have focused on fully overlapping projections for three-dimensional (3-D) projection mapping systems but reproducing a high-quality appearance using this technology still remains a challenge. On top of existing color compensation-based methods, much effort is still required to faithfully reproduce an appearance that is free from artifacts, colorimetric inconsistencies, and inappropriate illuminance over the 3-D projection surface. According to our observation, this is due to the fact that overlapping projections are treated as an additive-linear mixture of color. However, this is not the case according to our elaborated observations. We propose a method that enables us to use high-quality appearance data that are measured from original objects and regenerate the same appearance by projecting optimized images using multiple projectors, ensuring that the projection-rendered results look visually close to the real object. We prepare our target appearances by photographing original objects. Then, using calibrated projector-camera pairs, we compensate for missing geometric correspondences to make our method robust against noise. The heart of our method is a target appearance-driven adaptive sampling of the projection surface followed by a representation of overlapping projections in terms of the projector-primary response. This gives off projector-primary weights to facilitate blending and the system is applied with constraints. These samples are used to populate a light transport-based system. Then, the system is solved minimizing the error to get the projection images in a noise-free manner by utilizing intersample overlaps. We ensure that we make the best utilization of available hardware resources to recreate projection mapped appearances that look as close to the original object as possible. Our experimental results show compelling results in terms of visual similarity and colorimetric error.

  1. On the use of video projectors for three-dimensional scanning

    Science.gov (United States)

    Juarez-Salazar, Rigoberto; Diaz-Ramirez, Victor H.; Robledo-Sanchez, Carlos; Diaz-Gonzalez, Gerardo

    2017-08-01

    Structured light projection is one of the most useful methods for accurate three-dimensional scanning. Video projectors are typically used as the illumination source. However, because video projectors are not designed for structured light systems, some considerations such as gamma calibration must be taken into account. In this work, we present a simple method for gamma calibration of video projectors. First, the experimental fringe patterns are normalized. Then, the samples of the fringe patterns are sorted in ascending order. The sample sorting leads to a simple three-parameter sine curve that is fitted using the Gauss-Newton algorithm. The novelty of this method is that the sorting process removes the effect of the unknown phase. Thus, the resulting gamma calibration algorithm is significantly simplified. The feasibility of the proposed method is illustrated in a three-dimensional scanning experiment.

  2. Dynamic contrast enhancement in widefield microscopy using projector-generated illumination patterns

    International Nuclear Information System (INIS)

    Samson, Edward Carlo; Blanca, Carlo Mar

    2007-01-01

    We present a simple and cost-effective optical protocol to realize contrast-enhancement imaging (such as dark-field, optical-staining and oblique illumination microscopy) of transparent samples on a conventional widefield microscope using commercial multimedia projectors. The projector functions as both light source and mask generator implemented by creating slideshows of the filters projected along the illumination planes of the microscope. The projected optical masks spatially modulate the distribution of the incident light to selectively enhance structures within the sample according to spatial frequency thereby increasing the image contrast of translucent biological specimens. Any amplitude filter can be customized and dynamically controlled so that switching from one imaging modality to another involves a simple slide transition and can be executed at a keystroke with no physical filters and no moving optical parts. The method yields an image contrast of 89-96% comparable with standard enhancement techniques. The polarization properties of the projector are then utilized to discriminate birefringent and non-birefringent sites on the sample using single-shot, simultaneous polarization and optical-staining microscopy. In addition to dynamic pattern generation and polarization, the projector also provides high illumination power and spectral excitation selectivity through its red-green-blue (RGB) channels. We exploit this last property to explore the feasibility of using video projectors to selectively excite stained samples and perform fluorescence imaging in tandem with reflectance and polarization reflectance microscopy

  3. Speckle perception and disturbance limit in laser based projectors

    Science.gov (United States)

    Verschaffelt, Guy; Roelandt, Stijn; Meuret, Youri; Van den Broeck, Wendy; Kilpi, Katriina; Lievens, Bram; Jacobs, An; Janssens, Peter; Thienpont, Hugo

    2016-04-01

    We investigate the level of speckle that can be tolerated in a laser cinema projector. For this purpose, we equipped a movie theatre room with a prototype laser projector. A group of 186 participants was gathered to evaluate the speckle perception of several, short movie trailers in a subjective `Quality of Experience' experiment. This study is important as the introduction of lasers in projection systems has been hampered by the presence of speckle in projected images. We identify a speckle disturbance threshold by statistically analyzing the observers' responses for different values of the amount of speckle, which was monitored using a well-defined speckle measurement method. The analysis shows that the speckle perception of a human observer is not only dependent on the objectively measured amount of speckle, but it is also strongly influenced by the image content. As is also discussed in [Verschaffelt et al., Scientific Reports 5, art. nr. 14105, 2015] we find that, for moving images, the speckle becomes disturbing if the speckle contrast becomes larger than 6.9% for the red, 6.0% for the green, and 4.8% for the blue primary colors of the projector, whereas for still images the speckle detection threshold is about 3%. As we could not independently tune the speckle contrast of each of the primary colors, this speckle disturbance limit seems to be determined by the 6.9% speckle contrast of the red color as this primary color contains the largest amount of speckle. The speckle disturbance limit for movies thus turns out to be substantially larger than that for still images, and hence is easier to attain.

  4. Development of P4140 video data wall projector; Video data wall projector

    Energy Technology Data Exchange (ETDEWEB)

    Watanabe, H.; Inoue, H. [Toshiba Corp., Tokyo (Japan)

    1998-12-01

    The P4140 is a 3 cathode-ray tube (CRT) video data wall projector for super video graphics array (SVGA) signals. It is used as an image display unit, providing a large screen when several sets are put together. A high-quality picture has been realized by higher resolution and improved color uniformity technology. A new convergence adjustment system has also been developed through the optimal combination of digital and analog technologies. This video data wall installation has been greatly enhanced by the automation of cubes and cube performance settings. The P4140 video data wall projector can be used for displaying not only data but video as well. (author)

  5. A hybrid structured-light measurement using a laser projector

    Science.gov (United States)

    Guo, Jiayu; Zhou, Xiang; Li, Dong; Wang, Chao; Fei, Zixuan; Li, Huanhuan

    2017-06-01

    The Fringe Projection System (FPS) and the Laser Stripe Projection System (LSPS) both have the limitations in 3D measurements. For a shiny and diffusive surface with complex shape, neither of the systems could manage it individually at a low cost. To overcome these difficulties, we propose a method combining these two ways of projections together using a laser projector, which could project fringe patterns and scanning-laser-stripes both. In this method, we obtain two disparity maps and two quality maps by FPS and LSPS, respectively. Then combine two disparity maps together by quality maps and reconstruct the surface of the object with the combined disparity map. Real experiments are carried out to verify the proposed method and to evaluate the system performance. The plain, the colored and the metal plastic mixed objects are all reconstructed successfully in the proposed method.

  6. Anyons, deformed oscillator algebras and projectors

    International Nuclear Information System (INIS)

    Engquist, Johan

    2009-01-01

    We initiate an algebraic approach to the many-anyon problem based on deformed oscillator algebras. The formalism utilizes a generalization of the deformed Heisenberg algebras underlying the operator solution of the Calogero problem. We define a many-body Hamiltonian and an angular momentum operator which are relevant for a linearized analysis in the statistical parameter ν. There exists a unique ground state and, in spite of the presence of defect lines, the anyonic weight lattices are completely connected by the application of the oscillators of the algebra. This is achieved by supplementing the oscillator algebra with a certain projector algebra.

  7. Perturbative description of the fermionic projector: Normalization, causality, and Furry's theorem

    Science.gov (United States)

    Finster, Felix; Tolksdorf, Jürgen

    2014-05-01

    The causal perturbation expansion of the fermionic projector is performed with a contour integral method. Different normalization conditions are analyzed. It is shown that the corresponding light-cone expansions are causal in the sense that they only involve bounded line integrals. For the resulting loop diagrams we prove a generalized Furry theorem.

  8. Perturbative description of the fermionic projector: Normalization, causality, and Furry's theorem

    Energy Technology Data Exchange (ETDEWEB)

    Finster, Felix, E-mail: finster@ur.de [Fakultät für Mathematik, Universität Regensburg, D-93040 Regensburg (Germany); Tolksdorf, Jürgen, E-mail: Juergen.Tolksdorf@mis.mpg.de [Max Planck Institute for Mathematics in the Sciences, Leipzig (Germany)

    2014-05-15

    The causal perturbation expansion of the fermionic projector is performed with a contour integral method. Different normalization conditions are analyzed. It is shown that the corresponding light-cone expansions are causal in the sense that they only involve bounded line integrals. For the resulting loop diagrams we prove a generalized Furry theorem.

  9. Perturbative description of the fermionic projector: Normalization, causality, and Furry's theorem

    International Nuclear Information System (INIS)

    Finster, Felix; Tolksdorf, Jürgen

    2014-01-01

    The causal perturbation expansion of the fermionic projector is performed with a contour integral method. Different normalization conditions are analyzed. It is shown that the corresponding light-cone expansions are causal in the sense that they only involve bounded line integrals. For the resulting loop diagrams we prove a generalized Furry theorem

  10. Projector : automatic contig mapping for gap closure purposes

    NARCIS (Netherlands)

    van Hijum, SAFT; Zomer, AL; Kuipers, OP; Kok, J

    2003-01-01

    Projector was designed for automatic positioning of contigs from an unfinished prokaryotic genome onto a template genome of a closely related strain or species. Projector mapped 84 contigs of Lactococcus lactis MG1363 (corresponding to 81% of the assembly nucleotides) against the genome of L.lactis

  11. Accurate and Simple Calibration of DLP Projector Systems

    DEFF Research Database (Denmark)

    Wilm, Jakob; Olesen, Oline Vinter; Larsen, Rasmus

    2014-01-01

    does not rely on an initial camera calibration, and so does not carry over the error into projector calibration. A radial interpolation scheme is used to convert features coordinates into projector space, thereby allowing for a very accurate procedure. This allows for highly accurate determination...

  12. Calibration of a camera–projector measurement system and error impact analysis

    International Nuclear Information System (INIS)

    Huang, Junhui; Wang, Zhao; Xue, Qi; Gao, Jianmin

    2012-01-01

    In the camera–projector measurement system, calibration is a key to the measurement accuracy; especially, it is more difficult to obtain the same calibration accuracy for projector than camera due to the inaccurate corresponding relationship between its calibration points and imaging points. Thus, based on stereo vision measurement models of the camera and the projector, a calibration method with direct linear transformation (DLT) and bundle adjustment (BA) is introduced to adjust the corresponding relationships for better optimization purpose in this paper, which minimize the effect of inaccurate calibration points. And an integral method is presented to improve the precision of projection patterns to compensate the projector resolution limitation. Moreover impacts of system parameter and calibration points errors are evaluated when the calibration points positions change, which not only provides theoretical guidance for the rational layout of the calibration points, but also can be used for the optimization of system structure. Finally, the calibration of the system is carried out and the experiment results show that better precision can be achieved with those processes. (paper)

  13. Routine check and annual maintenance for industrial radiography gamma projector

    International Nuclear Information System (INIS)

    Shaharudin Sayuti; Abdul Nassir Ibrahim; Sukhri Ahmad; Arshad Yassin; Mohd Junaidi Jaapar; Khairul Anuar Mohd Salleh; Abdul Razak Hamzah

    2009-04-01

    The main objective of this paper is to share some experience pertaining to gamma projector maintenance programme. In Malaysia there are more than 100 gamma projectors, which need to be maintenance annually. Most of these projectors are Tech-Ops 660 series portable gamma radiography systems, which are used primarily for industrial radiography. The portability feature of the system provides both a safe means of transporting the radioactive source and operating flexibility, particularly useful in areas where access is limited. Generally, the national authorised service centre carries out the annual inspection of this system. In Malaysia, Malaysian Nuclear Agency has been recognised as the National Gamma Projector Maintenance Centre by the Atomic Energy Licensing Board (AELB). In this paper, a brief review of the design and operation is included in the discussion of the maintenance procedure, limitations and improvements of the gamma projector maintenance programme. (author)

  14. Effect of UV Radiation by Projectors on 3D Printing

    Directory of Open Access Journals (Sweden)

    Kovalenko Iaroslav

    2017-01-01

    Full Text Available Polymers that solidify under light radiation are commonly used in digital light processing (DLP 3D printing. A wide range of photopolymers use photoinitiators that react to radiation in range of ultraviolet (UV wavelength. In the present study we provided measurement of radiant fluence in the UV wavelength range from 280 nm to 400 nm for two data projectors and compared effect of radiation on quality of 3D printing. One projector is commonly used DLP projector with high energy lamp. Second one is an industrial projector, in which RGB light emitting diodes (LEDs are replaced by UV LEDs with wattage at the level of 3.6 % of the first one. Achieved data confirmed uneven distribution of radiant energy on illuminated area. These results validate, that undesired heating light causes internal stress inside built models that causes defects in final products.

  15. Fringe-shifting single-projector moiré topography application for cotyle implantate abrasion measurement

    Science.gov (United States)

    Rössler, Tomáš; Hrabovský, Miroslav; Pluháček, František

    2005-08-01

    The cotyle implantate is abraded in the body of patient and its shape changes. Information about the magnitude of abrasion is contained in the result contour map of the implantate. The locations and dimensions of abraded areas can be computed from the contours deformation. The method called the single-projector moire topography was used for the contour lines determination. The theoretical description of method is given at first. The design of the experimental set-up follows. The light grating projector was developed to realize the periodic structure on the measured surface. The method of fringe-shifting was carried out to increase the data quantity. The description of digital processing applied to the moire grating images is introduced at the end together with the examples of processed images.

  16. Low cost automatic cable winder for industrial radiography projector

    International Nuclear Information System (INIS)

    Nor Arymaswati Abdullah; Abdul Nassir Ibrahim; Shaharudin Sayuti; Glam Hadzir Patai Mohamad; Masrol Nizam Salleh; Arshad Yasin; Nur Aira Abdul Rahman

    2009-04-01

    Radiography is a well-established technique that is widely used to detect internal flaws in welds, castings and to check for misconstruction in assemblies. In general it is to verify weld quality in engineering structures such as the fabrication of pressure vessels, pipelines and storage tanks. It can be used on all metals, from light metals such as aluminium to dense metals such as lead. One of the techniques is industrial radiography projector. Industrial radiography projector is used to store radioactive materials when it is not required to expose the material under test. The projector will come together with a guide tube and control unit (cable winder and drive cable). When the source is to be used to radiograph an item, the cable winder will wind-out the source from projector to the desired location through a guide tube. Upon completion of the work the source will be retracted back into its safe shielded position in this projector. In common procedure, the operator has to be close to the exposures projector while wind-out or wind-in the source from and into the projector. This made the radiography operator receive the highest exposure among the radiation operator and this agreed by IAEA. This paper describes a winder cable that can be used to guide the movement of radiography source out of and into the projector that can be controlled by a remote control system. The system comprises of a gear, reversible motor and low frequency automatic controller. This system is powered by DC chargeable battery. (author)

  17. Topological susceptibility from twisted mass fermions using spectral projectors and the gradient flow

    Science.gov (United States)

    Alexandrou, Constantia; Athenodorou, Andreas; Cichy, Krzysztof; Constantinou, Martha; Horkel, Derek P.; Jansen, Karl; Koutsou, Giannis; Larkin, Conor

    2018-04-01

    We compare lattice QCD determinations of topological susceptibility using a gluonic definition from the gradient flow and a fermionic definition from the spectral-projector method. We use ensembles with dynamical light, strange and charm flavors of maximally twisted mass fermions. For both definitions of the susceptibility we employ ensembles at three values of the lattice spacing and several quark masses at each spacing. The data are fitted to chiral perturbation theory predictions with a discretization term to determine the continuum chiral condensate in the massless limit and estimate the overall discretization errors. We find that both approaches lead to compatible results in the continuum limit, but the gluonic ones are much more affected by cutoff effects. This finally yields a much smaller total error in the spectral-projector results. We show that there exists, in principle, a value of the spectral cutoff which would completely eliminate discretization effects in the topological susceptibility.

  18. Recent advancements in system design for miniaturized MEMS-based laser projectors

    Science.gov (United States)

    Scholles, M.; Frommhagen, K.; Gerwig, Ch.; Knobbe, J.; Lakner, H.; Schlebusch, D.; Schwarzenberg, M.; Vogel, U.

    2008-02-01

    Laser projection systems that use the flying spot principle and which are based on a single MEMS micro scanning mirrors are a very promising way to build ultra-compact projectors that may fit into mobile devices. First demonstrators that show the feasibility of this approach and the applicability of the micro scanning mirror developed by Fraunhofer IPMS for these systems have already been presented. However, a number of items still have to be resolved until miniaturized laser projectors are ready for the market. This contribution describes progress on several different items, each of them of major importance for laser projection systems. First of all, the overall performance of the system has been increased from VGA resolution to SVGA (800×600 pixels) with easy connection to a PC via DVI interface or by using the projector as embedded system with direct camera interface. Secondly, the degree of integration of the electronics has been enhanced by design of an application specific analog front end IC for the micro scanning mirror. It has been fabricated in a special high voltage technology and does not only allow to generate driving signals for the scanning mirror with amplitudes of up to 200V but also integrates position detection of the mirror by several methods. Thirdly, first results concerning Speckle reduction have been achieved, which is necessary for generation of images with high quality. Other aspects include laser modulation and solutions regarding projection on tilted screens which is possible because of the unlimited depth of focus.

  19. Projector-Based Augmented Reality for Quality Inspection of Scanned Objects

    Science.gov (United States)

    Kern, J.; Weinmann, M.; Wursthorn, S.

    2017-09-01

    After scanning or reconstructing the geometry of objects, we need to inspect the result of our work. Are there any parts missing? Is every detail covered in the desired quality? We typically do this by looking at the resulting point clouds or meshes of our objects on-screen. What, if we could see the information directly visualized on the object itself? Augmented reality is the generic term for bringing virtual information into our real environment. In our paper, we show how we can project any 3D information like thematic visualizations or specific monitoring information with reference to our object onto the object's surface itself, thus augmenting it with additional information. For small objects that could for instance be scanned in a laboratory, we propose a low-cost method involving a projector-camera system to solve this task. The user only needs a calibration board with coded fiducial markers to calibrate the system and to estimate the projector's pose later on for projecting textures with information onto the object's surface. Changes within the projected 3D information or of the projector's pose will be applied in real-time. Our results clearly reveal that such a simple setup will deliver a good quality of the augmented information.

  20. Logical reformulation of quantum mechanics. IV. Projectors in semiclassical physics

    International Nuclear Information System (INIS)

    Omnes, R.

    1989-01-01

    This is a technical paper providing the proofs of three useful theorems playing a central role in two kinds of physical applications: an explicit logical and mathematical formulation of the interpretation of quantum mechanics and the corresponding description of irreversibility. The Appendix contains a brief mathematical introduction to microlocal analysis. Three theorems are derived in the text: (A) Associating a projector in Hilbert space with a macroscopic regular cell in classical phase space. (B) Specifying the algebra of the projectors associated with different cells. (C) Showing the connection between the classical motion of cells and the Schroedinger evolution of projectors for a class of regular Hamiltonians corresponding approximately to deterministic systems as described within the framework of quantum mechanics. Applications to the interpretation of quantum mechanics are given and the consequences for irreversibility will be given later

  1. Canonical surfaces associated with projectors in Grassmannian sigma models

    International Nuclear Information System (INIS)

    Hussin, V.; Yurdusen, I.; Zakrzewski, W. J.

    2010-01-01

    We discuss the construction of higher-dimensional surfaces based on the harmonic maps of S 2 into CP N-1 and other Grassmannians. We show that there are two ways of implementing this procedure - both based on the use of the relevant projectors. We study various properties of such projectors and show that the Gaussian curvature of these surfaces, in general, is not constant. We look in detail at the surfaces corresponding to the Veronese sequence of such maps and show that for all of them this curvature is constant but its value depends on which mapping is used in the construction of the surface.

  2. Uniqueness of thermodynamic projector and kinetic basis of molecular individualism

    Science.gov (United States)

    Gorban, Alexander N.; Karlin, Iliya V.

    2004-05-01

    Three results are presented: First, we solve the problem of persistence of dissipation for reduction of kinetic models. Kinetic equations with thermodynamic Lyapunov functions are studied. Uniqueness of the thermodynamic projector is proven: There exists only one projector which transforms any vector field equipped with the given Lyapunov function into a vector field with the same Lyapunov function for a given anzatz manifold which is not tangent to the Lyapunov function levels. Second, we use the thermodynamic projector for developing the short memory approximation and coarse-graining for general nonlinear dynamic systems. We prove that in this approximation the entropy production increases. ( The theorem about entropy overproduction.) In example, we apply the thermodynamic projector to derive the equations of reduced kinetics for the Fokker-Planck equation. A new class of closures is developed, the kinetic multipeak polyhedra. Distributions of this type are expected in kinetic models with multidimensional instability as universally as the Gaussian distribution appears for stable systems. The number of possible relatively stable states of a nonequilibrium system grows as 2 m, and the number of macroscopic parameters is in order mn, where n is the dimension of configuration space, and m is the number of independent unstable directions in this space. The elaborated class of closures and equations pretends to describe the effects of “molecular individualism”. This is the third result.

  3. An attenuated projector-backprojector for iterative SPECT reconstruction

    International Nuclear Information System (INIS)

    Gullberg, G.T.; Pelc, N.J.; Huesman, R.H.; Budinger, T.F.; Malko, J.A.

    1985-01-01

    A new ray-driven projector-backprojector which can easily be adapted for hardware implementation is described and simulated in software. The projector-backprojector discretely models the attenuated Radon transform of a source distributed within an attenuating medium as line integrals of discrete pixels, obtained using the standard sampling technique of averaging the emission source or attenuation distribution over small square regions. Attenuation factors are calculated for each pixel during the projection and backprojection operations instead of using precalculated values. The calculation of the factors requires a specification of the attenuation distribution, estimated either from an assumed constant distribution and an approximate body outline or from transmission measurements. The distribution of attenuation coefficients is stored in memory for efficient access during the projection and backprojection operations. The reconstruction of the source distribution is obtained by using a conjugate gradient or SIRT type iterative algorithm which requires one projection and one backprojection operation for each iteration. (author)

  4. Design of LED projector based on gradient-index lens

    Science.gov (United States)

    Qian, Liyong; Zhu, Xiangbing; Cui, Haitian; Wang, Yuanhang

    2018-01-01

    In this study, a new type of projector light path is designed to eliminate the deficits of existing projection systems, such as complex structure and low collection efficiency. Using a three-color LED array as the lighting source, by means of the special optical properties of a gradient-index lens, the complex structure of the traditional projector is simplified. Traditional components, such as the color wheel, relay lens, and mirror, become unnecessary. In this way, traditional problems, such as low utilization of light energy and loss of light energy, are solved. With the help of Zemax software, the projection lens is optimized. The optimized projection lens, LED, gradient-index lens, and digital micromirror device are imported into Tracepro. The ray tracing results show that both the utilization of light energy and the uniformity are improved significantly.

  5. Review of infrared scene projector technology-1993

    Science.gov (United States)

    Driggers, Ronald G.; Barnard, Kenneth J.; Burroughs, E. E.; Deep, Raymond G.; Williams, Owen M.

    1994-07-01

    The importance of testing IR imagers and missile seekers with realistic IR scenes warrants a review of the current technologies used in dynamic infrared scene projection. These technologies include resistive arrays, deformable mirror arrays, mirror membrane devices, liquid crystal light valves, laser writers, laser diode arrays, and CRTs. Other methods include frustrated total internal reflection, thermoelectric devices, galvanic cells, Bly cells, and vanadium dioxide. A description of each technology is presented along with a discussion of their relative benefits and disadvantages. The current state of each methodology is also summarized. Finally, the methods are compared and contrasted in terms of their performance parameters.

  6. A Projector-Camera System for Ironing Support with Wrinkle Enhancement

    Directory of Open Access Journals (Sweden)

    Kimie Suzuki

    2017-08-01

    Full Text Available Ironing is one of troublesome houseworks, in which the goal of the task is to remove wrinkles caused during washing. A projector has advantages in physical world instruction over an instruction sheet, a Head Mounted Display, or a smartphone/tablet PC because of direct mapping of instructive information on the target object. In this article, we propose a method to detect wrinkles using machine-learning and a system to present detected wrinkles by enhancing the area of wrinkles through a projector. In total, 47 infrared image features are defined, from which 15 features are finally used, to classify 32 pixels squares (about 4.5 cm squares of regions of interest into one of four classes including wrinkle, flat, sagging, and tuck. A RandomForest classifier successfully identified 93.0 % of the wrinkle class. The comparison of wrinkle enhancement methods implies that presenting all ROIs on an ironing board at a time is more effective in removing wrinkles than enhancing an area around and ahead of an iron. Also, we found that making a user realize the effect of wrinkle removal is important to reduce wrinkles efficiently and showed prospective solutions for this issue.

  7. Color correction of projected image on color-screen for mobile beam-projector

    Science.gov (United States)

    Son, Chang-Hwan; Sung, Soo-Jin; Ha, Yeong-Ho

    2008-01-01

    With the current trend of digital convergence in mobile phones, mobile manufacturers are researching how to develop a mobile beam-projector to cope with the limitations of a small screen size and to offer a better feeling of movement while watching movies or satellite broadcasting. However, mobile beam-projectors may project an image on arbitrary surfaces, such as a colored wall and paper, not on a white screen mainly used in an office environment. Thus, color correction method for the projected image is proposed to achieve good image quality irrespective of the surface colors. Initially, luminance values of original image transformed into the YCbCr space are changed to compensate for spatially nonuniform luminance distribution of arbitrary surface, depending on the pixel values of surface image captured by mobile camera. Next, the chromaticity values for each surface and white-screen image are calculated using the ratio of the sum of three RGB values to one another. Then their chromaticity ratios are multiplied by converted original image through an inverse YCbCr matrix to reduce an influence of modulating the appearance of projected image due to spatially different reflectance on the surface. By projecting corrected original image on a texture pattern or single color surface, the image quality of projected image can be improved more, as well as that of projected image on white screen.

  8. Thermal management of thermoacoustic sound projectors using a free-standing carbon nanotube aerogel sheet as a heat source.

    Science.gov (United States)

    Aliev, Ali E; Mayo, Nathanael K; Baughman, Ray H; Avirovik, Dragan; Priya, Shashank; Zarnetske, Michael R; Blottman, John B

    2014-10-10

    Carbon nanotube (CNT) aerogel sheets produce smooth-spectra sound over a wide frequency range (1-10(5) Hz) by means of thermoacoustic (TA) sound generation. Protective encapsulation of CNT sheets in inert gases between rigid vibrating plates provides resonant features for the TA sound projector and attractive performance at needed low frequencies. Energy conversion efficiencies in air of 2% and 10% underwater, which can be enhanced by further increasing the modulation temperature. Using a developed method for accurate temperature measurements for the thin aerogel CNT sheets, heat dissipation processes, failure mechanisms, and associated power densities are investigated for encapsulated multilayered CNT TA heaters and related to the thermal diffusivity distance when sheet layers are separated. Resulting thermal management methods for high applied power are discussed and deployed to construct efficient and tunable underwater sound projector for operation at relatively low frequencies, 10 Hz-10 kHz. The optimal design of these TA projectors for high-power SONAR arrays is discussed.

  9. Thermal management of thermoacoustic sound projectors using a free-standing carbon nanotube aerogel sheet as a heat source

    International Nuclear Information System (INIS)

    Aliev, Ali E; Mayo, Nathanael K; Baughman, Ray H; Avirovik, Dragan; Priya, Shashank; Zarnetske, Michael R; Blottman, John B

    2014-01-01

    Carbon nanotube (CNT) aerogel sheets produce smooth-spectra sound over a wide frequency range (1–10 5 Hz) by means of thermoacoustic (TA) sound generation. Protective encapsulation of CNT sheets in inert gases between rigid vibrating plates provides resonant features for the TA sound projector and attractive performance at needed low frequencies. Energy conversion efficiencies in air of 2% and 10% underwater, which can be enhanced by further increasing the modulation temperature. Using a developed method for accurate temperature measurements for the thin aerogel CNT sheets, heat dissipation processes, failure mechanisms, and associated power densities are investigated for encapsulated multilayered CNT TA heaters and related to the thermal diffusivity distance when sheet layers are separated. Resulting thermal management methods for high applied power are discussed and deployed to construct efficient and tunable underwater sound projector for operation at relatively low frequencies, 10 Hz–10 kHz. The optimal design of these TA projectors for high-power SONAR arrays is discussed. (paper)

  10. Acoustic beam control in biomimetic projector via velocity gradient

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Xiaowei; Dong, Erqian; Song, Zhongchang [Key Laboratory of Underwater Acoustic Communication and Marine Information Technology of the Ministry of Education, Xiamen University, Xiamen 361005 (China); Zhang, Yu, E-mail: yuzhang@xmu.edu.cn, E-mail: dzk@psu.edu; Tang, Liguo [Key Laboratory of Underwater Acoustic Communication and Marine Information Technology of the Ministry of Education, Xiamen University, Xiamen 361005 (China); State Key Laboratory of Marine Environmental Science, Xiamen University, Xiamen 361005 (China); Cao, Wenwu, E-mail: yuzhang@xmu.edu.cn, E-mail: dzk@psu.edu [Department of Mathematics and Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Li, Songhai [Sanya Key Laboratory of Marin Mammal and Marine Bioacoustics, Sanya Institute of Deep-Sea Science and Engineering, Chinese Academy of Science, Sanya 57200 (China); Zhang, Sai [Faculty of Science, Jiangsu University, Zhenjiang 212013 (China)

    2016-07-04

    A biomimetic projector (BioP) based on computerized tomography of pygmy sperm whale's biosonar system has been designed using gradient-index (GRIN) material. The directivity of this BioP device was investigated as function of frequency and the velocity gradient of the GRIN material. A strong beam control over a broad bandwidth at the subwavelength scale has been achieved. Compared with a bare subwavelength source, the main lobe pressure of the BioP is about five times as high and the angular resolution is one order of magnitude better. Our results indicate that this BioP has excellent application potential in miniaturized underwater sonars.

  11. Optimization of freeform lightpipes for light-emitting-diode projectors.

    Science.gov (United States)

    Fournier, Florian; Rolland, Jannick

    2008-03-01

    Standard nonimaging components used to collect and integrate light in light-emitting-diode-based projector light engines such as tapered rods and compound parabolic concentrators are compared to optimized freeform shapes in terms of transmission efficiency and spatial uniformity. We show that the simultaneous optimization of the output surface and the profile shape yields transmission efficiency within the étendue limit up to 90% and spatial uniformity higher than 95%, even for compact sizes. The optimization process involves a manual study of the trends for different shapes and the use of an optimization algorithm to further improve the performance of the freeform lightpipe.

  12. State stability analysis for the fermionic projector in the continuum

    Energy Technology Data Exchange (ETDEWEB)

    Hoch, Stefan Ludwig

    2008-07-01

    The principle of the fermionic projector in the continuum gives an indication that there might be a deeper reason why elementary particles only appear with a few definite masses. In this thesis the existence of approximately state-stable configurations is shown. In order to achieve that, we make use of a variational principle for the fermionic projector in the continuum which contains certain contributions supported on the light cone. In a certain sense, these extra terms contain the structure of the underlying discrete spacetime. Lorentz invariant distributions and their convolutions are studied. Some of these are well-defined because the convolution integrals have compactly supported integrands. Other convolutions can be regularized such that the property of being ill-defined only plays a role on the light cone. These results are used to analyze the variational principle and to give criteria for state stability, which can be numerically analyzed. Some plots are presented to allow a decision about state stability and to show how possible configurations could look like. (orig.)

  13. State stability analysis for the fermionic projector in the continuum

    International Nuclear Information System (INIS)

    Hoch, Stefan Ludwig

    2008-01-01

    The principle of the fermionic projector in the continuum gives an indication that there might be a deeper reason why elementary particles only appear with a few definite masses. In this thesis the existence of approximately state-stable configurations is shown. In order to achieve that, we make use of a variational principle for the fermionic projector in the continuum which contains certain contributions supported on the light cone. In a certain sense, these extra terms contain the structure of the underlying discrete spacetime. Lorentz invariant distributions and their convolutions are studied. Some of these are well-defined because the convolution integrals have compactly supported integrands. Other convolutions can be regularized such that the property of being ill-defined only plays a role on the light cone. These results are used to analyze the variational principle and to give criteria for state stability, which can be numerically analyzed. Some plots are presented to allow a decision about state stability and to show how possible configurations could look like. (orig.)

  14. 76 FR 30180 - Notice of Issuance of Final Determination Concerning Pocket Projectors

    Science.gov (United States)

    2011-05-24

    ... components. The light engine module and the PCBA main board are the essence of the projectors and it is at... May 18, 2011. A copy of the final determination is attached. Any party-at-interest, as defined in 19... are the essence of the projector and it is at their production where the last substantial...

  15. State-Independent Proof of Kochen—Specker Theorem with Thirty Rank-Two Projectors

    International Nuclear Information System (INIS)

    Toh, S. P.

    2013-01-01

    The Kochen—Specker theorem states that noncontextual hidden variable theories are incompatible with quantum mechanics. We provide a state-independent proof of the Kochen—Specker theorem using the smallest number of projectors, i.e., thirty rank-2 projectors, associated with the Mermin pentagram for a three-qubit system

  16. Analysis of Various Computer System Monitoring and LCD Projector through the Network TCP/IP

    Directory of Open Access Journals (Sweden)

    Santoso Budijono

    2015-09-01

    Full Text Available Many electronic devices have a network connection facility. Projectors today have network facilities to bolster its customer satisfaction in everyday use. By using a device that can be controlled, the expected availability and reliability of the presentation system (computer and projector can be maintained to keep itscondition ready to use for presentation. Nevertheless, there is still a projector device that has no network facilities so that the necessary additional equipment with expensive price. Besides, control equipment in large quantities has problems in timing and the number of technicians in performing controls. This study began with study of literature, from searching for the projectors that has LAN and software to control and finding a number of computer control softwares where the focus is easy to use and affordable. Result of this research is creating asystem which contains suggestions of procurement of computer hardware, hardware and software projectors each of which can be controlled centrally from a distance.

  17. Realizing the increased potential of an open-system high-definition digital projector design

    Science.gov (United States)

    Daniels, Reginald

    1999-05-01

    Modern video projectors are becoming more compact and capable. Various display technologies are very competitive and are delivering higher performance and more compact projectors to market at an ever quickening pace. However the end users are often left with the daunting task of integrating the 'off the self projectors' into a previously existing system. As the projectors become more digitally enhanced, there will be a series of designs, and the digital projector technology matures. The design solutions will be restricted by the state of the art at the time of manufacturing. In order to allow the most growth and performance for a given price, many design decisions will be made and revisited over a period of years or decades. A modular open digital system design concept is indeed a major challenge of the future high definition digital displays for al applications.

  18. A projector of iridium 192 wires: motivations and preliminary studies

    International Nuclear Information System (INIS)

    Cosset, J.M.; Gerbaulet, A.; Chassagne, D.

    1979-01-01

    Though the majority of procedures involved in curietherapy with Iridium 192 wires cause very few problems concerning radiation protection, this is not true in all cases: in elderly of debilitated patients, young children, or when using special techniques (curietherapy for prostate of bladder cancers for example). In these cases, the need for frequent treatment exposes the therapists to increased doses. The projector of Iridium 192 wires was conceived in order to reduce this irradiated hazard. A simple manipulation places the radioactive wires in a lead container during treatment, and then replaces them in the right position after therapy. This apparatus appears to offer the possibility of: an almost total protection of the therapists, and thus an opportunity for enlarging the indications for curietherapy; an improved quality of treatment to the patient during the application [fr

  19. Projectors and seed conformal blocks for traceless mixed-symmetry tensors

    International Nuclear Information System (INIS)

    Costa, Miguel S.; Hansen, Tobias; Penedones, João; Trevisani, Emilio

    2016-01-01

    In this paper we derive the projectors to all irreducible SO(d) representations (traceless mixed-symmetry tensors) that appear in the partial wave decomposition of a conformal correlator of four stress-tensors in d dimensions. These projectors are given in a closed form for arbitrary length l_1 of the first row of the Young diagram. The appearance of Gegenbauer polynomials leads directly to recursion relations in l_1 for seed conformal blocks. Further results include a differential operator that generates the projectors to traceless mixed-symmetry tensors and the general normalization constant of the shadow operator.

  20. Projectors and seed conformal blocks for traceless mixed-symmetry tensors

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Miguel S. [Centro de Física do Porto, Departamento de Física e Astronomia, Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); Theory Division, Department of Physics, CERN, CH-1211 Genève 23 (Switzerland); Hansen, Tobias [Centro de Física do Porto, Departamento de Física e Astronomia, Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); II. Institut für Theoretische Physik, Universität Hamburg, Luruper Chaussee 149, D-22761 Hamburg (Germany); Penedones, João [Centro de Física do Porto, Departamento de Física e Astronomia, Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal); Theory Division, Department of Physics, CERN, CH-1211 Genève 23 (Switzerland); Fields and Strings Laboratory, Institute of Physics, EPFL, CH-1015 Lausanne (Switzerland); Trevisani, Emilio [Centro de Física do Porto, Departamento de Física e Astronomia, Faculdade de Ciências da Universidade do Porto, Rua do Campo Alegre 687, 4169-007 Porto (Portugal)

    2016-07-05

    In this paper we derive the projectors to all irreducible SO(d) representations (traceless mixed-symmetry tensors) that appear in the partial wave decomposition of a conformal correlator of four stress-tensors in d dimensions. These projectors are given in a closed form for arbitrary length l{sub 1} of the first row of the Young diagram. The appearance of Gegenbauer polynomials leads directly to recursion relations in l{sub 1} for seed conformal blocks. Further results include a differential operator that generates the projectors to traceless mixed-symmetry tensors and the general normalization constant of the shadow operator.

  1. Projectors and seed conformal blocks for traceless mixed-symmetry tensors

    CERN Document Server

    Costa, Miguel S.; Penedones, João; Trevisani, Emilio

    2016-01-01

    In this paper we derive the projectors to all irreducible SO(d) representations (traceless mixed-symmetry tensors) that appear in the partial wave decomposition of a conformal correlator of four stress-tensors in d dimensions. These projectors are given in a closed form for arbitrary length $l_1$ of the first row of the Young diagram. The appearance of Gegenbauer polynomials leads directly to recursion relations in $l_1$ for seed conformal blocks. Further results include a differential operator that generates the projectors to traceless mixed-symmetry tensors and the general normalization constant of the shadow operator.

  2. Iterative metal artifact reduction for x-ray computed tomography using unmatched projector/backprojector pairs

    International Nuclear Information System (INIS)

    Zhang, Hanming; Wang, Linyuan; Li, Lei; Cai, Ailong; Hu, Guoen; Yan, Bin

    2016-01-01

    Purpose: Metal artifact reduction (MAR) is a major problem and a challenging issue in x-ray computed tomography (CT) examinations. Iterative reconstruction from sinograms unaffected by metals shows promising potential in detail recovery. This reconstruction has been the subject of much research in recent years. However, conventional iterative reconstruction methods easily introduce new artifacts around metal implants because of incomplete data reconstruction and inconsistencies in practical data acquisition. Hence, this work aims at developing a method to suppress newly introduced artifacts and improve the image quality around metal implants for the iterative MAR scheme. Methods: The proposed method consists of two steps based on the general iterative MAR framework. An uncorrected image is initially reconstructed, and the corresponding metal trace is obtained. The iterative reconstruction method is then used to reconstruct images from the unaffected sinogram. In the reconstruction step of this work, an iterative strategy utilizing unmatched projector/backprojector pairs is used. A ramp filter is introduced into the back-projection procedure to restrain the inconsistency components in low frequencies and generate more reliable images of the regions around metals. Furthermore, a constrained total variation (TV) minimization model is also incorporated to enhance efficiency. The proposed strategy is implemented based on an iterative FBP and an alternating direction minimization (ADM) scheme, respectively. The developed algorithms are referred to as “iFBP-TV” and “TV-FADM,” respectively. Two projection-completion-based MAR methods and three iterative MAR methods are performed simultaneously for comparison. Results: The proposed method performs reasonably on both simulation and real CT-scanned datasets. This approach could reduce streak metal artifacts effectively and avoid the mentioned effects in the vicinity of the metals. The improvements are evaluated by

  3. Projector-Based Augmented Reality for Intuitive Intraoperative Guidance in Image-Guided 3D Interstitial Brachytherapy

    International Nuclear Information System (INIS)

    Krempien, Robert; Hoppe, Harald; Kahrs, Lueder; Daeuber, Sascha; Schorr, Oliver; Eggers, Georg; Bischof, Marc; Munter, Marc W.; Debus, Juergen; Harms, Wolfgang

    2008-01-01

    Purpose: The aim of this study is to implement augmented reality in real-time image-guided interstitial brachytherapy to allow an intuitive real-time intraoperative orientation. Methods and Materials: The developed system consists of a common video projector, two high-resolution charge coupled device cameras, and an off-the-shelf notebook. The projector was used as a scanning device by projecting coded-light patterns to register the patient and superimpose the operating field with planning data and additional information in arbitrary colors. Subsequent movements of the nonfixed patient were detected by means of stereoscopically tracking passive markers attached to the patient. Results: In a first clinical study, we evaluated the whole process chain from image acquisition to data projection and determined overall accuracy with 10 patients undergoing implantation. The described method enabled the surgeon to visualize planning data on top of any preoperatively segmented and triangulated surface (skin) with direct line of sight during the operation. Furthermore, the tracking system allowed dynamic adjustment of the data to the patient's current position and therefore eliminated the need for rigid fixation. Because of soft-part displacement, we obtained an average deviation of 1.1 mm by moving the patient, whereas changing the projector's position resulted in an average deviation of 0.9 mm. Mean deviation of all needles of an implant was 1.4 mm (range, 0.3-2.7 mm). Conclusions: The developed low-cost augmented-reality system proved to be accurate and feasible in interstitial brachytherapy. The system meets clinical demands and enables intuitive real-time intraoperative orientation and monitoring of needle implantation

  4. Iterative CT reconstruction with small pixel size: distance-driven forward projector versus Joseph's

    Science.gov (United States)

    Hahn, K.; Rassner, U.; Davidson, H. C.; Schöndube, H.; Stierstorfer, K.; Hornegger, J.; Noo, F.

    2015-03-01

    Over the last few years, iterative reconstruction methods have become an important research topic in x-ray CT imaging. This effort is motivated by increasing evidence that such methods may enable significant savings in terms of dose imparted to the patient. Conceptually, iterative reconstruction methods involve two important ingredients: the statistical model, which includes the forward projector, and a priori information in the image domain, which is expressed using a regularizer. Most often, the image pixel size is chosen to be equal (or close) to the detector pixel size (at field-of-view center). However, there are applications for which a smaller pixel size is desired. In this investigation, we focus on reconstruction with a pixel size that is twice smaller than the detector pixel size. Using such a small pixel size implies a large increase in computational effort when using the distance-driven method for forward projection, which models the detector size. On the other hand, the more efficient method of Joseph will create imbalances in the reconstruction of each pixel, in the sense that there will be large differences in the way each projection contributes to the pixels. The purpose of this work is to evaluate the impact of these imbalances on image quality in comparison with utilization of the distance-driven method. The evaluation involves computational effort, bias and noise metrics, and LROC analysis using human observers. The results show that Joseph's method largely remains attractive.

  5. Generalized Phase Contrast with matched filtering using LCoS pico-projectors

    OpenAIRE

    Bañas, Andrew Rafael; Palima, Darwin; Glückstad, Jesper

    2012-01-01

    We report a beam shaping system for generating high intensity programmable opticalspots using mGPC: matched filtering combined with Generalized Phase Contrastapplying two consumer handheld pico-projectors. Such a system presents a low costalternative for optical trapping and manipulation, optical lattices and other beamshaping applications usually implemented with high-end spatial light modulators.Portable pico-projectors based on liquid crystal on silicon (LCoS) devices were usedas binary ph...

  6. Software of microcomputer ELEKTRONIKA-60 installed in the control system of the measuring projector PUOS-4

    International Nuclear Information System (INIS)

    Dikij, V.M.; Nekipelova, G.D.; Shakhbazyan, V.V.; Yurpalov, V.D.

    1990-01-01

    The tasks, structure and aspects of realization of servodrivers of the PUOS-4 measuring projector (measuring carriage, tape transport) on the installed ELEKTRONIKA-60 microcomputer operating in the multi-machine system of film information preprocessing, are considered. Realizability of drivers is estimated under rigid operation conditions using the RTM60 real time monitor. The problem of the projector testing is also considered. 11 refs.; 5 figs.; 1 tab

  7. 3D-image theater system using TLP770J LCD data projector; Ekisho data projector wo mochiita rittai eizo theater system

    Energy Technology Data Exchange (ETDEWEB)

    Kawasato, H. [Toshiba Corp., Tokyo (Japan)

    2000-02-01

    In today's multimedia era, visual systems are widely used not only for two-dimensional images but also for the depiction of virtual reality and for simulated three-dimensional images. At the same time, the projection technology used in large-screen projectors is shifting from the cathode ray tube (CRT) to the liquid crystal display (LCD). Toshiba has developed a simplified 3D-image theater system using the TLP770J LCD data projector, which offers easy maintenance and lower costs. (author)

  8. Projector-based augmented reality for intuitive intraoperative guidance in image-guided 3D interstitial brachytherapy.

    Science.gov (United States)

    Krempien, Robert; Hoppe, Harald; Kahrs, Lüder; Daeuber, Sascha; Schorr, Oliver; Eggers, Georg; Bischof, Marc; Munter, Marc W; Debus, Juergen; Harms, Wolfgang

    2008-03-01

    The aim of this study is to implement augmented reality in real-time image-guided interstitial brachytherapy to allow an intuitive real-time intraoperative orientation. The developed system consists of a common video projector, two high-resolution charge coupled device cameras, and an off-the-shelf notebook. The projector was used as a scanning device by projecting coded-light patterns to register the patient and superimpose the operating field with planning data and additional information in arbitrary colors. Subsequent movements of the nonfixed patient were detected by means of stereoscopically tracking passive markers attached to the patient. In a first clinical study, we evaluated the whole process chain from image acquisition to data projection and determined overall accuracy with 10 patients undergoing implantation. The described method enabled the surgeon to visualize planning data on top of any preoperatively segmented and triangulated surface (skin) with direct line of sight during the operation. Furthermore, the tracking system allowed dynamic adjustment of the data to the patient's current position and therefore eliminated the need for rigid fixation. Because of soft-part displacement, we obtained an average deviation of 1.1 mm by moving the patient, whereas changing the projector's position resulted in an average deviation of 0.9 mm. Mean deviation of all needles of an implant was 1.4 mm (range, 0.3-2.7 mm). The developed low-cost augmented-reality system proved to be accurate and feasible in interstitial brachytherapy. The system meets clinical demands and enables intuitive real-time intraoperative orientation and monitoring of needle implantation.

  9. Optical properties of bulk semiconductors and graphene/boron nitride: the Bethe-Salpeter equation with derivative discontinuity-corrected density functional energies

    DEFF Research Database (Denmark)

    Yan, Jun; Jacobsen, Karsten W.; Thygesen, Kristian S.

    2012-01-01

    -dimensional systems of graphene and hexagonal boron-nitride (h-BN) we find good agreement with previous many-body calculations. For the graphene/h-BN interface we find that the fundamental and optical gaps of the h-BN layer are reduced by 2.0 and 0.7 eV, respectively, compared to freestanding h-BN. This reduction......We present an efficient implementation of the Bethe-Salpeter equation (BSE) for optical properties of materials in the projector augmented wave method Grid-based projector-augmented wave method (GPAW). Single-particle energies and wave functions are obtained from the Gritsenko, Leeuwen, Lenthe...

  10. Self-correction of projector nonlinearity in phase-shifting fringe projection profilometry.

    Science.gov (United States)

    Lü, Fuxing; Xing, Shuo; Guo, Hongwei

    2017-09-01

    In phase-shifting fringe projection profilometry, the luminance nonlinearity of the used projector has been recognized as one of the most crucial factors decreasing the measurement accuracy. To solve this problem, this paper presents a self-correcting technique that allows us to suppress the effect of the projector nonlinearity in the absence of any calibration data regarding the projector intensities or regarding the phase errors. In its first step, the standard phase-shifting algorithm is used to recover the phases, as well as the background intensities and the modulations. Using these results enables normalizing the fringe patterns, for ridding them of the effects of the background and modulations. Second, we smooth the calculated phase map by use of a low-pass filter in order to remove the ripple-like phase errors induced by the projector nonlinearity. Third, we determine a polynomial representing the projector nonlinearity by fitting the curve of the normalized fringe intensities against the cosine values of the smoothed phases. Finally, we correct the phase errors using the curve just obtained. Doing these steps in an iterative way eventually results in a phase map and, further, a 3D shape with their artifacts induced by the projector nonlinearity suppressed significantly. Experimental results demonstrate that this technique offers some advantages over others. It does not require a prior calibration of the projector, thus being suitable for dealing with a time-variant nonlinearity; its pointwise operation protects the edges and details of the measurement results from being blurred; and it works well with very few fringe patterns and is efficient in image capturing.

  11. The fermionic projector in a time-dependent external potential: Mass oscillation property and Hadamard states

    Science.gov (United States)

    Finster, Felix; Murro, Simone; Röken, Christian

    2016-07-01

    We give a non-perturbative construction of the fermionic projector in Minkowski space coupled to a time-dependent external potential which is smooth and decays faster than quadratically for large times. The weak and strong mass oscillation properties are proven. We show that the integral kernel of the fermionic projector is of the Hadamard form, provided that the time integral of the spatial sup-norm of the potential satisfies a suitable bound. This gives rise to an algebraic quantum field theory of Dirac fields in an external potential with a distinguished pure quasi-free Hadamard state.

  12. The fermionic projector in a time-dependent external potential: Mass oscillation property and Hadamard states

    International Nuclear Information System (INIS)

    Finster, Felix; Murro, Simone; Röken, Christian

    2016-01-01

    We give a non-perturbative construction of the fermionic projector in Minkowski space coupled to a time-dependent external potential which is smooth and decays faster than quadratically for large times. The weak and strong mass oscillation properties are proven. We show that the integral kernel of the fermionic projector is of the Hadamard form, provided that the time integral of the spatial sup-norm of the potential satisfies a suitable bound. This gives rise to an algebraic quantum field theory of Dirac fields in an external potential with a distinguished pure quasi-free Hadamard state.

  13. The fermionic projector in a time-dependent external potential: Mass oscillation property and Hadamard states

    Energy Technology Data Exchange (ETDEWEB)

    Finster, Felix, E-mail: finster@ur.de, E-mail: simone.murro@ur.de, E-mail: Christian.Roeken@mathematik.ur.de; Murro, Simone, E-mail: finster@ur.de, E-mail: simone.murro@ur.de, E-mail: Christian.Roeken@mathematik.ur.de; Röken, Christian, E-mail: finster@ur.de, E-mail: simone.murro@ur.de, E-mail: Christian.Roeken@mathematik.ur.de [Fakultät für Mathematik, Universität Regensburg, D-93040 Regensburg (Germany)

    2016-07-15

    We give a non-perturbative construction of the fermionic projector in Minkowski space coupled to a time-dependent external potential which is smooth and decays faster than quadratically for large times. The weak and strong mass oscillation properties are proven. We show that the integral kernel of the fermionic projector is of the Hadamard form, provided that the time integral of the spatial sup-norm of the potential satisfies a suitable bound. This gives rise to an algebraic quantum field theory of Dirac fields in an external potential with a distinguished pure quasi-free Hadamard state.

  14. Solving Witten's SFT by insertion of operators on projectors

    Energy Technology Data Exchange (ETDEWEB)

    Yang Haitang [Center for Theoretical Physics, Massachussetts Institute of Technology, Cambridge, MA 02139 (United States)]. E-mail: hyanga@MIT.EDU

    2004-09-01

    Following Okawa, we insert operators at the boundary of regulated star algebra projectors to construct the leading order tachyon vacuum solution of open string field theory. We also calculate the energy density of the solution and the ratio between the kinetic and the cubic terms. A universal relationship between these two quantities is found. We show that for any twist invariant projector, the energy density can account for at most 68.46% of the D25-brane tension. The general results are then applied to regulated slivers and butterflies, and the next-to-leading order solution for regulated sliver states is constructed. (author)

  15. The Electronic Band Structure of Platinum Oxide (PtO) | Omehe ...

    African Journals Online (AJOL)

    We have performed the electronic band structure of the bulk and monolayer of PtO using the full potential linear muffin-tin orbital and the projector augmented wave method with the density functional theory. We applied the LDA and LDA+U scheme to both methods. It was found out that the LDA calculation of bulk PtO ...

  16. A Mobile Mixed-Reality Environment for Children's Storytelling Using a Handheld Projector and a Robot

    Science.gov (United States)

    Sugimoto, Masanori

    2011-01-01

    This paper describes a system called GENTORO that uses a robot and a handheld projector for supporting children's storytelling activities. GENTORO differs from many existing systems in that children can make a robot play their own story in a physical space augmented by mixed-reality technologies. Pilot studies have been conducted to clarify the…

  17. Generalized Phase Contrast with matched filtering using LCoS pico-projectors

    DEFF Research Database (Denmark)

    Bañas, Andrew Rafael; Palima, Darwin; Glückstad, Jesper

    2012-01-01

    , optical lattices and other beam shaping applications usually implemented with high-end spatial light modulators. Portable pico-projectors based on liquid crystal on silicon (LCoS) devices were used as binary phase-only spatial light modulators by setting the appropriate polarization of the illumination...

  18. Perturbative quantum field theory in the framework of the fermionic projector

    International Nuclear Information System (INIS)

    Finster, Felix

    2014-01-01

    We give a microscopic derivation of perturbative quantum field theory, taking causal fermion systems and the framework of the fermionic projector as the starting point. The resulting quantum field theory agrees with standard quantum field theory on the tree level and reproduces all bosonic loop diagrams. The fermion loops are described in a different formalism in which no ultraviolet divergences occur

  19. The Fermionic Projector, Entanglement, and the Collapse of the Wave Function

    OpenAIRE

    Finster, Felix

    2010-01-01

    After a brief introduction to the fermionic projector approach, we review how entanglement and second quantized bosonic and fermionic fields can be described in this framework. The constructions are discussed with regard to decoherence phenomena and the measurement problem. We propose a mechanism leading to the collapse of the wave function in the quantum mechanical measurement process.

  20. Perturbative Quantum Field Theory in the Framework of the Fermionic Projector

    OpenAIRE

    Finster, Felix

    2013-01-01

    We give a microscopic derivation of perturbative quantum field theory, taking causal fermion systems and the framework of the fermionic projector as the starting point. The resulting quantum field theory agrees with standard quantum field theory on the tree level and reproduces all bosonic loop diagrams. The fermion loops are described in a different formalism in which no ultraviolet divergences occur.

  1. The Fermionic Projector, entanglement and the collapse of the wave function

    Energy Technology Data Exchange (ETDEWEB)

    Finster, Felix, E-mail: Felix.Finster@mathematik.uni-r.de [Fakultaet fuer Mathematik, Universituet Regensburg, 93040 Regensburg (Germany)

    2011-07-08

    After a brief introduction to the fermionic projector approach, we review how entanglement and second quantized bosonic and fermionic fields can be described in this framework. The constructions are discussed with regard to decoherence phenomena and the measurement problem. We propose a mechanism leading to the collapse of the wave function in the quantum mechanical measurement process.

  2. The Fermionic Projector, entanglement and the collapse of the wave function

    International Nuclear Information System (INIS)

    Finster, Felix

    2011-01-01

    After a brief introduction to the fermionic projector approach, we review how entanglement and second quantized bosonic and fermionic fields can be described in this framework. The constructions are discussed with regard to decoherence phenomena and the measurement problem. We propose a mechanism leading to the collapse of the wave function in the quantum mechanical measurement process.

  3. Perturbative quantum field theory in the framework of the fermionic projector

    Energy Technology Data Exchange (ETDEWEB)

    Finster, Felix, E-mail: finster@ur.de [Fakultät für Mathematik, Universität Regensburg, D-93040 Regensburg (Germany)

    2014-04-15

    We give a microscopic derivation of perturbative quantum field theory, taking causal fermion systems and the framework of the fermionic projector as the starting point. The resulting quantum field theory agrees with standard quantum field theory on the tree level and reproduces all bosonic loop diagrams. The fermion loops are described in a different formalism in which no ultraviolet divergences occur.

  4. Perturbative quantum field theory in the framework of the fermionic projector

    Science.gov (United States)

    Finster, Felix

    2014-04-01

    We give a microscopic derivation of perturbative quantum field theory, taking causal fermion systems and the framework of the fermionic projector as the starting point. The resulting quantum field theory agrees with standard quantum field theory on the tree level and reproduces all bosonic loop diagrams. The fermion loops are described in a different formalism in which no ultraviolet divergences occur.

  5. The Fermionic Projector, entanglement and the collapse of the wave function

    Science.gov (United States)

    Finster, Felix

    2011-07-01

    After a brief introduction to the fermionic projector approach, we review how entanglement and second quantized bosonic and fermionic fields can be described in this framework. The constructions are discussed with regard to decoherence phenomena and the measurement problem. We propose a mechanism leading to the collapse of the wave function in the quantum mechanical measurement process.

  6. Non-moving Hadamard matrix diffusers for speckle reduction in laser pico-projectors

    Science.gov (United States)

    Thomas, Weston; Middlebrook, Christopher

    2014-12-01

    Personal electronic devices such as cell phones and tablets continue to decrease in size while the number of features and add-ons keep increasing. One particular feature of great interest is an integrated projector system. Laser pico-projectors have been considered, but the technology has not been developed enough to warrant integration. With new advancements in diode technology and MEMS devices, laser-based projection is currently being advanced for pico-projectors. A primary problem encountered when using a pico-projector is coherent interference known as speckle. Laser speckle can lead to eye irritation and headaches after prolonged viewing. Diffractive optical elements known as diffusers have been examined as a means to lower speckle contrast. This paper presents a binary diffuser known as a Hadamard matrix diffuser. Using two static in-line Hadamard diffusers eliminates the need for rotation or vibration of the diffuser for temporal averaging. Two Hadamard diffusers were fabricated and contrast values measured showing good agreement with theory and simulated values.

  7. Research Area 3 - Mathematical Sciences: Multiscale Modeling of the Mechanics of Advanced Energetic Materials Relevant to Detonation Prediction

    Science.gov (United States)

    2015-08-24

    for initiation. We have used first principle calculations (plane wave Density Functional Theory with projector augmented-wave (PAW) pseudopotentials...RDX -what are conformers?- • Estimation of energy barriers using the Nudged Elastic Band method. • Various conformations stabilized by the Grant

  8. First principles results of structural and electronic properties of ZnS

    Indian Academy of Sciences (India)

    We present results of the study of ZnS (1 ≤ ≤ 9) clusters, using the density functional formalism and projector augmented wave method within the generalized gradient approximation. Along with the structural and electronic properties, nature of bonding and overall stability of clusters has been studied.

  9. Electronic and chemical properties of graphene-based structures:

    DEFF Research Database (Denmark)

    Vanin, Marco

    In the present thesis several aspects of graphene-based structures have been investigated using density functional theory calculations to solve the electronic structure problem. A review of the implementation of a localized basis-set within the projector augmented wave method - the way of describ...... are attractive candidates although issues regarding the poisoning of the active site remain to be addressed....

  10. Bulletin of Materials Science | Indian Academy of Sciences

    Indian Academy of Sciences (India)

    Projector augmented wave method: ab initio molecular dynamics with full .... A first-principles thermodynamic approach to ordering in binary alloys .... Theoretical study of superconductivity in MgB2 and its alloys ... For BeB2 and NaB2, our results indicate qualitative similarities but significant quantitative differences in their ...

  11. ZoOHPraxiscope, Re-Inventing the Zoopraxiscope with an Overhead Projector

    Directory of Open Access Journals (Sweden)

    Christian Faubel

    2015-11-01

    Full Text Available The ZoOHPraxiscope is a modified overhead projector that can be used to show cinematographic animations. It allows blending and mixing of animated shadow play with cinematographic animation. Similar to the Zoopraxiscope that was developed by the photographer Eadweard Muybridge in the 19th century, the ZoOHPraxiscope combines a rotating picture disc with a Laterna Magica and shutter mechanism. The mechanical shutter of the original device is replaced by a high-power LED that can be turned on and off at the fraction of a second. The overhead projector acts as Laterna Magica. This new device is used as a performance instrument to combine sound, vision, shadow play and animation.

  12. Projector and backprojector for iterative CT reconstruction with blobs using CUDA

    Energy Technology Data Exchange (ETDEWEB)

    Bippus, Rolf-Dieter; Koehler, Thomas; Bergner, Frank; Brendel, Bernhard; Proksa, Roland [Philips Research Laboratories, Hamburg (Germany); Hansis, Eberhard [Philips Healthcare, Nuclear Medicine, San Jose, CA (United States)

    2011-07-01

    Using blobs allows modeling the CT system's geometry more correctly within an iterative reconstruction framework. However their application comes with an increased computational demand. This led us to use blobs for image representation and a dedicated GPU hardware implementation to counteract their computational demand. Making extensive use of the texture interpolation capabilities of CUDA and implementing an asymmetric projector/backprojector pair we achieve reasonable processing times and good system modeling at the same time. (orig.)

  13. The Principle of the Fermionic Projector: An Approach for Quantum Gravity?

    Science.gov (United States)

    Finster, Felix

    In this short article we introduce the mathematical framework of the principle of the fermionic projector and set up a variational principle in discrete space-time. The underlying physical principles are discussed. We outline the connection to the continuum theory and state recent results. In the last two sections, we speculate on how it might be possible to describe quantum gravity within this framework.

  14. Unmatched Projector/Backprojector Pairs: Perturbation and Convergence Analysis

    DEFF Research Database (Denmark)

    Elfving, Tommy; Hansen, Per Christian

    2018-01-01

    methods in order to understand the role played by the nonmatch of the matrices. We also study the convergence properties of linear stationary iterations based on unmatched matrix pairs, leading to insight into the behavior of some important row-and column-oriented algebraic iterative methods. We conclude...

  15. Unmatched Projector/Backprojector Pairs: Perturbation and Convergence Analysis

    DEFF Research Database (Denmark)

    Elfving, Tommy; Hansen, Per Christian

    2018-01-01

    are not each other's transpose. Surprisingly, the influence of such errors in algebraic iterative reconstruction methods has received little attention in the literature. The goal of this paper is to perform a rigorous first-order perturbation analysis of the minimization problems underlying the algebraic...... methods in order to understand the role played by the nonmatch of the matrices. We also study the convergence properties of linear stationary iterations based on unmatched matrix pairs, leading to insight into the behavior of some important row-and column-oriented algebraic iterative methods. We conclude...

  16. Micro 3D printing using a digital projector and its application in the study of soft materials mechanics.

    Science.gov (United States)

    Lee, Howon; Fang, Nicholas X

    2012-11-27

    Buckling is a classical topic in mechanics. While buckling has long been studied as one of the major structural failure modes(1), it has recently drawn new attention as a unique mechanism for pattern transformation. Nature is full of such examples where a wealth of exotic patterns are formed through mechanical instability(2-5). Inspired by this elegant mechanism, many studies have demonstrated creation and transformation of patterns using soft materials such as elastomers and hydrogels(6-11). Swelling gels are of particular interest because they can spontaneously trigger mechanical instability to create various patterns without the need of external force(6-10). Recently, we have reported demonstration of full control over buckling pattern of micro-scaled tubular gels using projection micro-stereolithography (PμSL), a three-dimensional (3D) manufacturing technology capable of rapidly converting computer generated 3D models into physical objects at high resolution(12,13). Here we present a simple method to build up a simplified PμSL system using a commercially available digital data projector to study swelling-induced buckling instability for controlled pattern transformation. A simple desktop 3D printer is built using an off-the-shelf digital data projector and simple optical components such as a convex lens and a mirror(14). Cross-sectional images extracted from a 3D solid model is projected on the photosensitive resin surface in sequence, polymerizing liquid resin into a desired 3D solid structure in a layer-by-layer fashion. Even with this simple configuration and easy process, arbitrary 3D objects can be readily fabricated with sub-100 μm resolution. This desktop 3D printer holds potential in the study of soft material mechanics by offering a great opportunity to explore various 3D geometries. We use this system to fabricate tubular shaped hydrogel structure with different dimensions. Fixed on the bottom to the substrate, the tubular gel develops

  17. A rotating and warping projector/backprojector for fan-beam and cone-beam iterative algorithm

    International Nuclear Information System (INIS)

    Zeng, G.L.; Hsieh, Y.L.; Gullberg, G.T.

    1994-01-01

    A rotating-and-warping projector/backprojector is proposed for iterative algorithms used to reconstruct fan-beam and cone-beam single photon emission computed tomography (SPECT) data. The development of a new projector/backprojector for implementing attenuation, geometric point response, and scatter models is motivated by the need to reduce the computation time yet to preserve the fidelity of the corrected reconstruction. At each projection angle, the projector/backprojector first rotates the image volume so that the pixelized cube remains parallel to the detector, and then warps the image volume so that the fan-beam and cone-beam rays are converted into parallel rays. In the authors implementation, these two steps are combined so that the interpolation of voxel values are performed only once. The projection operation is achieved by a simple weighted summation, and the backprojection operation is achieved by copying weighted projection array values to the image volume. An advantage of this projector/backprojector is that the system point response function can be deconvolved via the Fast Fourier Transform using the shift-invariant property of the point response when the voxel-to-detector distance is constant. The fan-beam and cone-beam rotating-and-warping projector/backprojector is applied to SPECT data showing improved resolution

  18. Multi-wavelength speckle reduction for laser pico-projectors using diffractive optics

    Science.gov (United States)

    Thomas, Weston H.

    Personal electronic devices, such as cell phones and tablets, continue to decrease in size while the number of features and add-ons keep increasing. One particular feature of great interest is an integrated projector system. Laser pico-projectors have been considered, but the technology has not been developed enough to warrant integration. With new advancements in diode technology and MEMS devices, laser-based projection is currently being advanced for pico-projectors. A primary problem encountered when using a pico-projector is coherent interference known as speckle. Laser speckle can lead to eye irritation and headaches after prolonged viewing. Diffractive optical elements known as diffusers have been examined as a means to lower speckle contrast. Diffusers are often rotated to achieve temporal averaging of the spatial phase pattern provided by diffuser surface. While diffusers are unable to completely eliminate speckle, they can be utilized to decrease the resultant contrast to provide a more visually acceptable image. This dissertation measures the reduction in speckle contrast achievable through the use of diffractive diffusers. A theoretical Fourier optics model is used to provide the diffuser's stationary and in-motion performance in terms of the resultant contrast level. Contrast measurements of two diffractive diffusers are calculated theoretically and compared with experimental results. In addition, a novel binary diffuser design based on Hadamard matrices will be presented. Using two static in-line Hadamard diffusers eliminates the need for rotation or vibration of the diffuser for temporal averaging. Two Hadamard diffusers were fabricated and contrast values were subsequently measured, showing good agreement with theory and simulated values. Monochromatic speckle contrast values of 0.40 were achieved using the Hadamard diffusers. Finally, color laser projection devices require the use of red, green, and blue laser sources; therefore, using a

  19. History of resistor array infrared projectors: hindsight is always 100% operability

    Science.gov (United States)

    Williams, Owen M.; Goldsmith, George C., II; Stockbridge, Robert G.

    2005-05-01

    Numerous infrared scene projection technologies have been investigated since the 1970s. Notably, from the late 1980s the development of the first resistor array infrared projectors gained leverage from the strong concurrent developments within focal plane array imaging technology, linked by the common need for large integrated circuits comprising a 2-dimensional array of interconnected unit cells. In the resistor array case, it is the unit cell comprising the resistively heated emitter and its dedicated drive circuit that determines the projector response to its associated scene generator commands. In this paper we review the development of resistor array technology from a historical perspective, concentrating on the unit cell developments. We commence by describing the technological innovations that forged the way, sharing along the way stories of the successes and failures, all of which contributed to the steady if somewhat eventful growth of the critical knowledge base that underpins the strength of today's array technology. We conclude with comments on the characteristics and limitations of the technology and on the prospects for future array development.

  20. Full-color laser cathode ray tube (L-CRT) projector

    Science.gov (United States)

    Kozlovskiy, Vladimir; Nasibov, Alexander S.; Popov, Yuri M.; Reznikov, Parvel V.; Skasyrsky, Yan K.

    1995-04-01

    A full color TV projector based on three laser cathode-ray tubes (L-CRT) is described. A water-cooled laser screen (LS) is the radiation element of the L-CRT. We have produced three main colors (blue, green and red) by using the LS made of three II-VI compounds: ZnSe ((lambda) equals 475 nm), CdS ((lambda) equals 530 nm) and ZnCdSe (630 nm). The total light flow reaches 1500 Lm, and the number of elements per line is not less than 1000. The LS efficiency may be about 10 Lm/W. In our experiments we have tested new electron optics: - (30 - 37) kV are applied to the cathode unit of the electron gun; the anode of the e-gun and the e-beam intensity modulator are under low potential; the LS has a potential + (30 - 37) kV. The accelerating voltage is divided into two parts, and this enables us to diminish the size and weight of the projector.

  1. Follow the light: projector-based augmented reality intracorporeal system for laparoscopic surgery.

    Science.gov (United States)

    Edgcumbe, Philip; Singla, Rohit; Pratt, Philip; Schneider, Caitlin; Nguan, Christopher; Rohling, Robert

    2018-04-01

    A projector-based augmented reality intracorporeal system (PARIS) is presented that includes a miniature tracked projector, tracked marker, and laparoscopic ultrasound (LUS) transducer. PARIS was developed to improve the efficacy and safety of laparoscopic partial nephrectomy (LPN). In particular, it has been demonstrated to effectively assist in the identification of tumor boundaries during surgery and to improve the surgeon's understanding of the underlying anatomy. PARIS achieves this by displaying the orthographic projection of the cancerous tumor on the kidney's surface. The performance of PARIS was evaluated in a user study with two surgeons who performed 32 simulated robot-assisted partial nephrectomies. They performed 16 simulated partial nephrectomies with PARIS for guidance and 16 simulated partial nephrectomies with only an LUS transducer for guidance. With PARIS, there was a significant reduction [30% ([Formula: see text])] in the amount of healthy tissue excised and a trend toward a more accurate dissection around the tumor and more negative margins. The combined point tracking and reprojection root-mean-square error of PARIS was 0.8 mm. PARIS' proven ability to improve key metrics of LPN surgery and qualitative feedback from surgeons about PARIS supports the hypothesis that it is an effective surgical navigation tool.

  2. Efficient green lasers for high-resolution scanning micro-projector displays

    Science.gov (United States)

    Bhatia, Vikram; Bauco, Anthony S.; Oubei, Hassan M.; Loeber, David A. S.

    2010-02-01

    Laser-based projectors are gaining increased acceptance in mobile device market due to their low power consumption, superior image quality and small size. The basic configuration of such micro-projectors is a miniature mirror that creates an image by raster scanning the collinear red, blue and green laser beams that are individually modulated on a pixel-bypixel basis. The image resolution of these displays can be limited by the modulation bandwidth of the laser sources, and the modulation speed of the green laser has been one of the key limitations in the development of these displays. We will discuss how this limitation is fundamental to the architecture of many laser designs and then present a green laser configuration which overcomes these difficulties. In this green laser architecture infra-red light from a distributed Bragg-reflector (DBR) laser diode undergoes conversion to green light in a waveguided second harmonic generator (SHG) crystal. The direct doubling in a single pass through the SHG crystal allows the device to operate at the large modulation bandwidth of the DBR laser. We demonstrate that the resultant product has a small footprint (9% electrical-to-optical conversion) and large modulation bandwidth (>100 MHz).

  3. Matched-filtering generalized phase contrast using LCoS pico-projectors for beam-forming

    OpenAIRE

    Bañas, Andrew Rafael; Palima, Darwin; Glückstad, Jesper

    2012-01-01

    We report on a new beam-forming system for generating high intensity programmable optical spikes using so-called matched-filtering Generalized Phase Contrast (mGPC) applying two consumer handheld pico-projectors. Such a system presents a low-cost alternative for optical trapping and manipulation, optical lattices and other beam-shaping applications usually implemented with high-end spatial light modulators. Portable pico-projectors based on liquid crystal on silicon (LCoS) devices are used as...

  4. Hyper thin 3D edge measurement of honeycomb core structures based on the triangular camera-projector layout & phase-based stereo matching.

    Science.gov (United States)

    Jiang, Hongzhi; Zhao, Huijie; Li, Xudong; Quan, Chenggen

    2016-03-07

    We propose a novel hyper thin 3D edge measurement technique to measure the profile of 3D outer envelope of honeycomb core structures. The width of the edges of the honeycomb core is less than 0.1 mm. We introduce a triangular layout design consisting of two cameras and one projector to measure hyper thin 3D edges and eliminate data interference from the walls. A phase-shifting algorithm and the multi-frequency heterodyne phase-unwrapping principle are applied for phase retrievals on edges. A new stereo matching method based on phase mapping and epipolar constraint is presented to solve correspondence searching on the edges and remove false matches resulting in 3D outliers. Experimental results demonstrate the effectiveness of the proposed method for measuring the 3D profile of honeycomb core structures.

  5. Design of a Computer-Controlled, Random-Access Slide Projector Interface. Final Report (April 1974 - November 1974).

    Science.gov (United States)

    Kirby, Paul J.; And Others

    The design, development, test, and evaluation of an electronic hardware device interfacing a commercially available slide projector with a plasma panel computer terminal is reported. The interface device allows an instructional computer program to select slides for viewing based upon the lesson student situation parameters of the instructional…

  6. Matched-filtering generalized phase contrast using LCoS pico-projectors for beam-forming

    DEFF Research Database (Denmark)

    Bañas, Andrew Rafael; Palima, Darwin; Glückstad, Jesper

    2012-01-01

    , optical lattices and other beam-shaping applications usually implemented with high-end spatial light modulators. Portable pico-projectors based on liquid crystal on silicon (LCoS) devices are used as binary phase-only spatial light modulators by carefully setting the appropriate polarization of the laser...

  7. Organization of the two-level memory in the image processing system on scanning measuring projectors

    International Nuclear Information System (INIS)

    Sychev, A.Yu.

    1977-01-01

    Discussed are the problems of improving the efficiency of the system for processing pictures taken in bubble chambers with the use of scanning measuring projectors. The system comprises 20 to 30 pro ectors linked with the ICL-1903A computer provided with a mainframe memory, 64 kilobytes in size. Because of the insufficient size of a mainframe memory, a part of the programs and data is located in a second-level memory, i.e. in an external memory. The analytical model described herein is used to analyze the effect of the memory organization on the characteristics of the system. It is shown that organization of pure procedures and introduction of the centralized control of the tWo-leVel memory result in substantial improvement of the efficiency of the picture processing system

  8. Pure quasifree states of the Dirac field from the fermionic projector

    International Nuclear Information System (INIS)

    Fewster, Christopher J; Lang, Benjamin

    2015-01-01

    We consider the quantized free massive Dirac field on oriented and globally hyperbolic ultrastatic slab spacetimes with compact spatial section and demonstrate how a gauge invariant, pure and quasifree state on the C*-completion of the self-dual CAR-algebra can be extracted from the fermionic projector construction of Finster and Reintjes. This state is analogous to the ‘SJ-state’ of the free scalar field recently discussed in the literature. We prove that this state generically fails to be Hadamard. However, we also show how a modified version of the construction, inspired by the work of Brum and Fredenhagen, yields states that are Hadamard. We also relate the Hadamard condition to the finiteness of fluctuations of Wick polynomials. (paper)

  9. Apparatus and method for motion tracking in brain imaging

    DEFF Research Database (Denmark)

    2013-01-01

    Disclosed is apparatus and method for motion tracking of a subject in medical brain imaging. The method comprises providing a light projector and a first camera; projecting a first pattern sequence (S1) onto a surface region of the subject with the light projector, wherein the subject is positioned......2,1) based on the detected first pattern sequence (S1'); projecting the second pattern sequence (S2) onto a surface region of the subject with the light projector; detecting the projected second pattern sequence (S2') with the first camera; and determining motion tracking parameters based...

  10. Projector-based virtual reality dome environment for procedural pain and anxiety in young children with burn injuries: a pilot study.

    Science.gov (United States)

    Khadra, Christelle; Ballard, Ariane; Déry, Johanne; Paquin, David; Fortin, Jean-Simon; Perreault, Isabelle; Labbe, David R; Hoffman, Hunter G; Bouchard, Stéphane; LeMay, Sylvie

    2018-01-01

    Virtual reality (VR) is a non-pharmacological method to distract from pain during painful procedures. However, it was never tested in young children with burn injuries undergoing wound care. We aimed to assess the feasibility and acceptability of the study process and the use of VR for procedural pain management. From June 2016 to January 2017, we recruited children from 2 months to 10 years of age with burn injuries requiring a hydrotherapy session in a pediatric university teaching hospital in Montreal. Each child received the projector-based VR intervention in addition to the standard pharmacological treatment. Data on intervention and study feasibility and acceptability in addition to measures on pain (Face, Legs, Activity, Cry, Consolability scale), baseline (Modified Smith Scale) and procedural (Procedure Behavior Check List) anxiety, comfort (OCCEB-BECCO [behavioral observational scale of comfort level for child burn victims]), and sedation (Ramsay Sedation Scale) were collected before, during, and after the procedure. Data analyses included descriptive and non-parametric inferential statistics. We recruited 15 children with a mean age of 2.2±2.1 years and a mean total body surface area of 5% (±4). Mean pain score during the procedure was low (2.9/10, ±3), as was the discomfort level (2.9/10, ±2.8). Most children were cooperative, oriented, and calm. Assessing anxiety was not feasible with our sample of participants. The prototype did not interfere with the procedure and was considered useful for procedural pain management by most health care professionals. The projector-based VR is a feasible and acceptable intervention for procedural pain management in young children with burn injuries. A larger trial with a control group is required to assess its efficacy.

  11. Enhancing User Experiences of Mobile-Based Augmented Reality via Spatial Augmented Reality: Designs and Architectures of Projector-Camera Devices

    Directory of Open Access Journals (Sweden)

    Thitirat Siriborvornratanakul

    2018-01-01

    Full Text Available As smartphones, tablet computers, and other mobile devices have continued to dominate our digital world ecosystem, there are many industries using mobile or wearable devices to perform Augmented Reality (AR functions in their workplaces in order to increase productivity and decrease unnecessary workloads. Mobile-based AR can basically be divided into three main types: phone-based AR, wearable AR, and projector-based AR. Among these, projector-based AR or Spatial Augmented Reality (SAR is the most immature and least recognized type of AR for end users. This is because there are a small number of commercial products providing projector-based AR functionalities in a mobile manner. Also, prices of mobile projectors are still relatively high. Moreover, there are still many technical problems regarding projector-based AR that have been left unsolved. Nevertheless, it is projector-based AR that has potential to solve a fundamental problem shared by most mobile-based AR systems. Also the always-visible nature of projector-based AR is one good answer for solving current user experience issues of phone-based AR and wearable AR systems. Hence, in this paper, we analyze what are the user experience issues and technical issues regarding common mobile-based AR systems, recently widespread phone-based AR systems, and rising wearable AR systems. Then for each issue, we propose and explain a new solution of how using projector-based AR can solve the problems and/or help enhance its user experiences. Our proposed framework includes hardware designs and architectures as well as a software computing paradigm towards mobile projector-based AR systems. The proposed design is evaluated by three experts using qualitative and semiquantitative research approaches.

  12. Parallel and patterned optogenetic manipulation of neurons in the brain slice using a DMD-based projector.

    Science.gov (United States)

    Sakai, Seiichiro; Ueno, Kenichi; Ishizuka, Toru; Yawo, Hiromu

    2013-01-01

    Optical manipulation technologies greatly advanced the understanding of the neuronal network and its dysfunctions. To achieve patterned and parallel optical switching, we developed a microscopic illumination system using a commercial DMD-based projector and a software program. The spatiotemporal patterning of the system was evaluated using acute slices of the hippocampus. The neural activity was optically manipulated, positively by the combination of channelrhodopsin-2 (ChR2) and blue light, and negatively by the combination of archaerhodopsin-T (ArchT) and green light. It is suggested that our projector-managing optical system (PMOS) would effectively facilitate the optogenetic analyses of neurons and their circuits. Copyright © 2012 Elsevier Ireland Ltd and the Japan Neuroscience Society. All rights reserved.

  13. Matched-filtering generalized phase contrast using LCoS pico-projectors for beam-forming.

    Science.gov (United States)

    Bañas, Andrew; Palima, Darwin; Glückstad, Jesper

    2012-04-23

    We report on a new beam-forming system for generating high intensity programmable optical spikes using so-called matched-filtering Generalized Phase Contrast (mGPC) applying two consumer handheld pico-projectors. Such a system presents a low-cost alternative for optical trapping and manipulation, optical lattices and other beam-shaping applications usually implemented with high-end spatial light modulators. Portable pico-projectors based on liquid crystal on silicon (LCoS) devices are used as binary phase-only spatial light modulators by carefully setting the appropriate polarization of the laser illumination. The devices are subsequently placed into the object and Fourier plane of a standard 4f-setup according to the mGPC spatial filtering configuration. Having a reconfigurable spatial phase filter, instead of a fixed and fabricated one, allows the beam shaper to adapt to different input phase patterns suited for different requirements. Despite imperfections in these consumer pico-projectors, the mGPC approach tolerates phase aberrations that would have otherwise been hard to overcome by standard phase projection. © 2012 Optical Society of America

  14. MIRAGE WF infrared scene projector system, with 1536 x 768 wide format resistive array, performance data

    Science.gov (United States)

    Sparkman, Kevin; Laveigne, Joe; Oleson, Jim; Franks, Greg; McHugh, Steve; Lannon, John; Woode, Brian; Greer, Derek; Bui, Nicole

    2009-05-01

    MIRAGE WF is the latest high definition version of the MIRAGE infrared scene projector product line from Santa Barbara Infrared Inc. (SBIR). MIRAGE WF is being developed under the Wide Format Resistive Array (WFRA) program. The WFRA development is one of several efforts within the Infrared Sensor Simulator - Preplanned Product Improvement (IRSS P3I) umbrella funded by the Central Test and Evaluation Investment Program (CTEIP) and led by the US Navy at Patuxent River, MD. Three MIRAGE WF infrared scene projection systems are being delivered as part of the WFRA program. The main differences between the MIRAGE XL (1024x1024) and MIRAGE WF are a 1536x768 emitter array and 100Hz true raster capability. The key emitter requirements that have been measured and will be discussed include: Operability, Maximum Apparent Temperature, Rise Time and Array Uniformity. Key System specifications are: 1536x768 pixels, maximum apparent temperature of 600K, maximum frame rate of 100Hz, raster and snap shot updating, radiance rise and fall time less than 5 ms and windowed mode (1024x768) operation at up to 200 Hz.

  15. Acoustic emissions of digital data video projectors- Investigating noise sources and their change during product aging

    Science.gov (United States)

    White, Michael Shane

    2005-09-01

    Acoustic emission testing continues to be a growing part of IT and telecommunication product design, as product noise is increasingly becoming a differentiator in the marketplace. This is especially true for digital/video display companies, such as InFocus Corporation, considering the market shift of these products to the home entertainment consumer as retail prices drop and performance factors increase. Projectors and displays using Digital Light Processing(tm) [DLP(tm)] technology incorporate a device known as a ColorWheel(tm) to generate the colors displayed at each pixel in the image. These ColorWheel(tm) devices spin at very high speeds and can generate high-frequency tones not typically heard in liquid crystal displays and other display technologies. Also, acoustic emission testing typically occurs at the beginning of product life and is a measure of acoustic energy emitted at this point in the lifecycle. Since the product is designed to be used over a long period of time, there is concern as to whether the acoustic emissions change over the lifecycle of the product, whether these changes will result in a level of nuisance to the average customer, and does this nuisance begin to develop prior to the intended lifetime of the product.

  16. Novel Carbazole Skeleton-Based Photoinitiators for LED Polymerization and LED Projector 3D Printing

    Directory of Open Access Journals (Sweden)

    Assi Al Mousawi

    2017-12-01

    Full Text Available Radical chemistry is a very convenient way to produce polymer materials. Here, an application of a particular photoinduced radical chemistry is illustrated. Seven new carbazole derivatives Cd1–Cd7 are incorporated and proposed as high performance near-UV photoinitiators for both the free radical polymerization (FRP of (methacrylates and the cationic polymerization (CP of epoxides utilizing Light Emitting Diodes LEDs @405 nm. Excellent polymerization-initiating abilities are found and high final reactive function conversions are obtained. Interestingly, these new derivatives display much better near-UV polymerization-initiating abilities compared to a reference UV absorbing carbazole (CARET 9H-carbazole-9-ethanol demonstrating that the new substituents have good ability to red shift the absorption of the proposed photoinitiators. All the more strikingly, in combination with iodonium salt, Cd1–Cd7 are likewise preferred as cationic photoinitiators over the notable photoinitiator bis(2,4,6-trimethylbenzoylphenylphosphine oxide (BAPO for mild irradiation conditions featuring their remarkable reactivity. In particular their utilization in the preparation of new cationic resins for LED projector 3D printing is envisioned. A full picture of the included photochemical mechanisms is given.

  17. First-principles calculation of electric field gradients in metals, semiconductors, and insulators

    Energy Technology Data Exchange (ETDEWEB)

    Zwanziger, J.W. [Dalhousie Univ, Dept Chem, Halifax, NS (Canada); Dalhousie Univ, Inst Res Mat, Halifax, NS (Canada); Torrent, M. [CEA Bruyeres-le-Chatel, Dept Phys Theor and Appl, Bruyeres 91 (France)

    2008-07-01

    A scheme for computing electric field gradients within the projector augmented wave (PAW) formalism of density functional theory is presented. On the basis of earlier work (M. Profeta, F. Mauri, C.J. Pickard, J. Am. Chem. Soc. 125, 541, 2003) the present implementation handles metallic cases as well as insulators and semiconductors with equal efficiency. Details of the implementation, as well as applications and the discussion of the limitations of the PAW method for computing electric field gradients are presented. (authors)

  18. Acoustic grating fringe projector for high-speed and high-precision three-dimensional shape measurements

    International Nuclear Information System (INIS)

    Yin Xuebing; Zhao Huijie; Zeng Junyu; Qu Yufu

    2007-01-01

    A new acoustic grating fringe projector (AGFP) was developed for high-speed and high-precision 3D measurement. A new acoustic grating fringe projection theory is also proposed to describe the optical system. The AGFP instrument can adjust the spatial phase and period of fringes with unprecedented speed and accuracy. Using rf power proportional-integral-derivative (PID) control and CCD synchronous control, we obtain fringes with fine sinusoidal characteristics and realize high-speed acquisition of image data. Using the device, we obtained a precise phase map for a 3D profile. In addition, the AGFP can work in running fringe mode, which could be applied in other measurement fields

  19. Projector-based virtual reality dome environment for procedural pain and anxiety in young children with burn injuries: a pilot study

    Directory of Open Access Journals (Sweden)

    Khadra C

    2018-02-01

    Full Text Available Christelle Khadra,1,2 Ariane Ballard,1,2 Johanne Déry,1,3 David Paquin,4 Jean-Simon Fortin,5 Isabelle Perreault,6 David R Labbe,7 Hunter G Hoffman,8 Stéphane Bouchard,9 Sylvie LeMay1,2 1Faculty of Nursing, University of Montreal, Montreal, QC, Canada; 2Research Center, Centre Hospitalier Universitaire (CHU Sainte-Justine, Montreal, QC, Canada; 3Direction of Nursing, Centre Hospitalier Universitaire (CHU Sainte-Justine, Montreal, QC, Canada; 4Department in Creation and New Media, Université du Québec en Abitibi-Témiscamingue, Rouyn-Noranda, QC, Canada; 5Emergency Department, Hôpital de Granby, Granby, QC, Canada; 6Department of Surgery, Centre Hospitalier Universitaire (CHU Sainte-Justine, Montreal, QC, Canada; 7Department of Software and IT Engineering, École de Technologie Supérieure, Montreal, QC, Canada; 8Department of Mechanical Engineering, University of Washington, Seattle, WA, USA; 9Department of Psychoeducation and Psychology, Université du Québec en Outaouais, Gatineau, QC, Canada Background: Virtual reality (VR is a non-pharmacological method to distract from pain during painful procedures. However, it was never tested in young children with burn injuries undergoing wound care.Aim: We aimed to assess the feasibility and acceptability of the study process and the use of VR for procedural pain management.Methods: From June 2016 to January 2017, we recruited children from 2 months to 10 years of age with burn injuries requiring a hydrotherapy session in a pediatric university teaching hospital in Montreal. Each child received the projector-based VR intervention in addition to the standard pharmacological treatment. Data on intervention and study feasibility and acceptability in addition to measures on pain (Face, Legs, Activity, Cry, Consolability scale, baseline (Modified Smith Scale and procedural (Procedure Behavior Check List anxiety, comfort (OCCEB-BECCO [behavioral observational scale of comfort level for child burn

  20. Printing and Curing of Conductive Ink Track on Fabric using Syringe Deposition System with DLP Projector and Hot Plate

    Directory of Open Access Journals (Sweden)

    Khirotdin Rd. Khairilhijra

    2017-01-01

    Full Text Available Printing is a technique to transfer ink onto substrates to create pattern and syringe deposition system has shown some great potential in printing due to its ability to produce filamentary bead tracks which is important concerning conductivity and easily adopted on conformal surfaces which could not be realized by conventional technique. Fabrics with integrated electrical features able to create intelligent articles and may potentially open up new perspective areas of application in textile printing. However, the applicability of this technique on fabrics remains unknown which the ink used has to meet certain requirements including high electrical conductivity, resistance to oxidation, dry out without clogging, good adhesion with suitable viscosity and surface tension. Thus, there is a need to do this study which is to determine the feasibility of syringe deposition system to print a conductive ink tracks using silver epoxy-based conductive ink on fabric substrate via lycra material. This study is also aim to investigate the feasibility of using DLP projector with hot plate as another source of heat to be used in curing the ink tracks on fabric. The effect of printing and curing parameters to the characteristics and conductivity of the ink track is investigated. Several mechanical and electrical tests were also administered to determine the cure, hardness, adhesion and resistance level of the ink tracks. The results obtained were as expected which higher printing speed and lower deposition height used, a narrower and thinner ink tracks were produced. Sample with 4 mm/s of printing speed and deposition height of 1 mm resulted in dimension closer to the targeted dimension. The longer curing time and higher temperature used, a lower resistance is produced. The lowest resistance achieved is 0.9 Ω cured at 150°C for 60 minutes. The conductivity of the ink track was affected by curing process and cross-sectional area of the ink track. It is proven

  1. Data-processing system for bubble-chamber photographs based on PUOS-4 measuring projectors and an ES-1045 computer

    International Nuclear Information System (INIS)

    Ermolov, P.F.; Kozlov, V.V.; Rukovichkin, V.P.

    1988-01-01

    A system is described that was developed at the Scientific-Research Institute of Nuclear Physics for processing of the data recorded on stereoscopic photographs from large bubble chambers and hybrid spectrometers using PUOS-4 measuring projectors, an Elektronika-60 microcomputer, and an ES-1045 computer. The system structure, the main programmable interfaces, and the intercomputer communications are examined. The mean-square error of the measuring channels of the system, determined from calibration measurements, is within 1.3-3.5 μm; the standard deviation of the coordinates of the measured points with respect to the track in the plane of the photograph is 6 μm. The system is widely used at the institute for analysis of data from experiments in high-energy physics performed with the European Hybrid Spectrometer and the Mirabel large bubble chamber. Approximately 80,000 stereoscopic photographs have been processed and the system is being prepared to process data from the Skat bubble chamber and a spectrometer with a vertex detector that is under construction

  2. A Projector-Camera System for Augmented Card Playing and a Case Study with the Pelmanism Game

    Directory of Open Access Journals (Sweden)

    Nozomu Tanaka

    2017-05-01

    Full Text Available In this article, we propose a system for augmented card playing with a projector and a camera to add playfulness and increase communication among players of a traditional card game. The functionalities were derived on the basis of a user survey session with actual players. Playing cards are recognized using a video camera on the basis of a template matching without any artificial marker with an accuracy of > 0.96. Players are also tracked to provide person-dependent services using a video camera from the direction of their hands appearing over a table. These functions are provided as an API; therefore, the user of our system, i.e., a developer, can easily augment playing card games. The Pelmanism game was augmented on top of the system to validate the concept of augmentation. The results showed the feasibility of the system’s performance in an actual environment and the potential of enhancing playfulness and communication among players.

  3. Pico Lantern: Surface reconstruction and augmented reality in laparoscopic surgery using a pick-up laser projector.

    Science.gov (United States)

    Edgcumbe, Philip; Pratt, Philip; Yang, Guang-Zhong; Nguan, Christopher; Rohling, Robert

    2015-10-01

    The Pico Lantern is a miniature projector developed for structured light surface reconstruction, augmented reality and guidance in laparoscopic surgery. During surgery it will be dropped into the patient and picked up by a laparoscopic tool. While inside the patient it projects a known coded pattern and images onto the surface of the tissue. The Pico Lantern is visually tracked in the laparoscope's field of view for the purpose of stereo triangulation between it and the laparoscope. In this paper, the first application is surface reconstruction. Using a stereo laparoscope and an untracked Pico Lantern, the absolute error for surface reconstruction for a plane, cylinder and ex vivo kidney, is 2.0 mm, 3.0 mm and 5.6 mm, respectively. Using a mono laparoscope and a tracked Pico Lantern for the same plane, cylinder and kidney the absolute error is 1.4 mm, 1.5 mm and 1.5 mm, respectively. These results confirm the benefit of the wider baseline produced by tracking the Pico Lantern. Virtual viewpoint images are generated from the kidney surface data and an in vivo proof-of-concept porcine trial is reported. Surface reconstruction of the neck of a volunteer shows that the pulsatile motion of the tissue overlying a major blood vessel can be detected and displayed in vivo. Future work will integrate the Pico Lantern into standard and robot-assisted laparoscopic surgery. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Fragment-based {sup 13}C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methods

    Energy Technology Data Exchange (ETDEWEB)

    Hartman, Joshua D.; Beran, Gregory J. O., E-mail: gregory.beran@ucr.edu [Department of Chemistry, University of California, Riverside, California 92521 (United States); Monaco, Stephen; Schatschneider, Bohdan [The Pennsylvania State University, The Eberly Campus, 2201 University Dr, Lemont Furnace, Pennsylvania 15456 (United States)

    2015-09-14

    We assess the quality of fragment-based ab initio isotropic {sup 13}C chemical shift predictions for a collection of 25 molecular crystals with eight different density functionals. We explore the relative performance of cluster, two-body fragment, combined cluster/fragment, and the planewave gauge-including projector augmented wave (GIPAW) models relative to experiment. When electrostatic embedding is employed to capture many-body polarization effects, the simple and computationally inexpensive two-body fragment model predicts both isotropic {sup 13}C chemical shifts and the chemical shielding tensors as well as both cluster models and the GIPAW approach. Unlike the GIPAW approach, hybrid density functionals can be used readily in a fragment model, and all four hybrid functionals tested here (PBE0, B3LYP, B3PW91, and B97-2) predict chemical shifts in noticeably better agreement with experiment than the four generalized gradient approximation (GGA) functionals considered (PBE, OPBE, BLYP, and BP86). A set of recommended linear regression parameters for mapping between calculated chemical shieldings and observed chemical shifts are provided based on these benchmark calculations. Statistical cross-validation procedures are used to demonstrate the robustness of these fits.

  5. Theoretical Mn K-edge XANES for Li2MnO3: DFT + U study

    International Nuclear Information System (INIS)

    Tamura, Tomoyuki; Ohwaki, Tsukuru; Ito, Atsushi; Ohsawa, Yasuhiko; Kobayashi, Ryo; Ogata, Shuji

    2012-01-01

    Spectral features of Mn K-edge x-ray absorption near-edge structure (XANES) for Li 2 MnO 3 were calculated using the first-principles full projector augmented wave method with the general gradient approximation plus U method. We demonstrated that the U parameter affects the spectral features in the pre-edge region while it does not affect those in the major absorption region. From the comparison with the experimental spectra and those of reference compounds, we showed that the spectral features of Mn K-edge XANES and the differences in the valence state can be reproduced well. (paper)

  6. Light sensitivity of a one transistor-one capacitor memory cell when used as a micromirror actuator in projector applications

    Science.gov (United States)

    Huffman, James Douglas

    2001-11-01

    to reduce the effect of the incoming photons on the potential of the memory cell. The results will show that a 1T1C memory cell with N-type recombination regions and maximum light shielding is sufficient for a projector application.

  7. Generic precise augmented reality guiding system and its calibration method based on 3D virtual model.

    Science.gov (United States)

    Liu, Miao; Yang, Shourui; Wang, Zhangying; Huang, Shujun; Liu, Yue; Niu, Zhenqi; Zhang, Xiaoxuan; Zhu, Jigui; Zhang, Zonghua

    2016-05-30

    Augmented reality system can be applied to provide precise guidance for various kinds of manual works. The adaptability and guiding accuracy of such systems are decided by the computational model and the corresponding calibration method. In this paper, a novel type of augmented reality guiding system and the corresponding designing scheme are proposed. Guided by external positioning equipment, the proposed system can achieve high relative indication accuracy in a large working space. Meanwhile, the proposed system is realized with a digital projector and the general back projection model is derived with geometry relationship between digitized 3D model and the projector in free space. The corresponding calibration method is also designed for the proposed system to obtain the parameters of projector. To validate the proposed back projection model, the coordinate data collected by a 3D positioning equipment is used to calculate and optimize the extrinsic parameters. The final projecting indication accuracy of the system is verified with subpixel pattern projecting technique.

  8. Improved theoretical model of InN optical properties

    International Nuclear Information System (INIS)

    Ferreira da Silva, A.; Chubaci, J.F.D.; Matsuoka, M.; Freitas, J.A. Jr.; Tischler, J.G.; Baldissera, G.; Persson, C.

    2014-01-01

    The optical properties of InN are investigated theoretically by employing the projector augmented wave (PAW) method within Green's function and the screened Coulomb interaction approximation (GW o ). The calculated results are compared to previously reported calculations which use local density approximation combined with the scissors-operator approximation. The results of the present calculation are compared with reported values of the InN bandgap and with low temperature near infrared luminescence measurements of InN films deposited by a modified Ion Beam Assisted Deposition technique. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  9. High performance volume-of-intersection projectors for 3D-PET image reconstruction based on polar symmetries and SIMD vectorisation

    International Nuclear Information System (INIS)

    Scheins, J J; Vahedipour, K; Pietrzyk, U; Shah, N J

    2015-01-01

    For high-resolution, iterative 3D PET image reconstruction the efficient implementation of forward-backward projectors is essential to minimise the calculation time. Mathematically, the projectors are summarised as a system response matrix (SRM) whose elements define the contribution of image voxels to lines-of-response (LORs). In fact, the SRM easily comprises billions of non-zero matrix elements to evaluate the tremendous number of LORs as provided by state-of-the-art PET scanners. Hence, the performance of iterative algorithms, e.g. maximum-likelihood-expectation-maximisation (MLEM), suffers from severe computational problems due to the intensive memory access and huge number of floating point operations.Here, symmetries occupy a key role in terms of efficient implementation. They reduce the amount of independent SRM elements, thus allowing for a significant matrix compression according to the number of exploitable symmetries. With our previous work, the PET REconstruction Software TOolkit (PRESTO), very high compression factors (>300) are demonstrated by using specific non-Cartesian voxel patterns involving discrete polar symmetries. In this way, a pre-calculated memory-resident SRM using complex volume-of-intersection calculations can be achieved. However, our original ray-driven implementation suffers from addressing voxels, projection data and SRM elements in disfavoured memory access patterns. As a consequence, a rather limited numerical throughput is observed due to the massive waste of memory bandwidth and inefficient usage of cache respectively.In this work, an advantageous symmetry-driven evaluation of the forward-backward projectors is proposed to overcome these inefficiencies. The polar symmetries applied in PRESTO suggest a novel organisation of image data and LOR projection data in memory to enable an efficient single instruction multiple data vectorisation, i.e. simultaneous use of any SRM element for symmetric LORs. In addition, the calculation

  10. Multinuclear NMR of CaSiO(3) glass: simulation from first-principles.

    Science.gov (United States)

    Pedone, Alfonso; Charpentier, Thibault; Menziani, Maria Cristina

    2010-06-21

    An integrated computational method which couples classical molecular dynamics simulations with density functional theory calculations is used to simulate the solid-state NMR spectra of amorphous CaSiO(3). Two CaSiO(3) glass models are obtained by shell-model molecular dynamics simulations, successively relaxed at the GGA-PBE level of theory. The calculation of the NMR parameters (chemical shielding and quadrupolar parameters), which are then used to simulate solid-state 1D and 2D-NMR spectra of silicon-29, oxygen-17 and calcium-43, is achieved by the gauge including projector augmented-wave (GIPAW) and the projector augmented-wave (PAW) methods. It is shown that the limitations due to the finite size of the MD models can be overcome using a Kernel Estimation Density (KDE) approach to simulate the spectra since it better accounts for the disorder effects on the NMR parameter distribution. KDE allows reconstructing a smoothed NMR parameter distribution from the MD/GIPAW data. Simulated NMR spectra calculated with the present approach are found to be in excellent agreement with the experimental data. This further validates the CaSiO(3) structural model obtained by MD simulations allowing the inference of relationships between structural data and NMR response. The methods used to simulate 1D and 2D-NMR spectra from MD GIPAW data have been integrated in a package (called fpNMR) freely available on request.

  11. A Visual Servoing-Based Method for ProCam Systems Calibration

    Directory of Open Access Journals (Sweden)

    Jeremie Mosnier

    2013-10-01

    Full Text Available Projector-camera systems are currently used in a wide field of applications, such as 3D reconstruction and augmented reality, and can provide accurate measurements, depending on the configuration and calibration. Frequently, the calibration task is divided into two steps: camera calibration followed by projector calibration. The latter still poses certain problems that are not easy to solve, such as the difficulty in obtaining a set of 2D–3D points to compute the projection matrix between the projector and the world. Existing methods are either not sufficiently accurate or not flexible. We propose an easy and automatic method to calibrate such systems that consists in projecting a calibration pattern and superimposing it automatically on a known printed pattern. The projected pattern is provided by a virtual camera observing a virtual pattern in an OpenGL model. The projector displays what the virtual camera visualizes. Thus, the projected pattern can be controlled and superimposed on the printed one with the aid of visual servoing. Our experimental results compare favorably with those of other methods considering both usability and accuracy.

  12. GPAW optimized for Blue Gene/P using hybrid programming

    DEFF Research Database (Denmark)

    Kristensen, Mads Ruben Burgdorff; Happe, Hans Henrik; Vinter, Brian

    2009-01-01

    In this work we present optimizations of a Grid-based projector-augmented wave method software, GPAW for the Blue Gene/P architecture. The improvements are achieved by exploring the advantage of shared and distributed memory programming also known as hybrid programming. The work focuses on optimi......In this work we present optimizations of a Grid-based projector-augmented wave method software, GPAW for the Blue Gene/P architecture. The improvements are achieved by exploring the advantage of shared and distributed memory programming also known as hybrid programming. The work focuses...... on optimizing a very time consuming operation in GPAW, the finite-different stencil operation, and different hybrid programming approaches are evaluated. The work succeeds in demonstrating a hybrid programming model which is clearly beneficial compared to the original flat programming model. In total...... an improvement of 1.94 compared to the original implementation is obtained. The results we demonstrate here are reasonably general and may be applied to other finite difference codes....

  13. Design of an elliptic spot illumination system in LED-based color filter-liquid-crystal-on-silicon pico projectors for mobile embedded projection.

    Science.gov (United States)

    Chen, Enguo; Yu, Feihong

    2012-06-01

    We present an elliptic spot illumination system for a color filter-liquid-crystal-on-silicon (CF-LCoS) pico projector employing a specifically designed free-form lens and a cylindrical lens to improve on previous designs in terms of optical efficiency while yielding an ultracompact and low-cost optical architecture. The detailed design description of the optical system is thoroughly investigated. Simulation results coincide well with the theoretical calculation. The single 1  mm×1  mm LED chip-powered optical engine, which employs a CF-LCoS panel with a diagonal of 0.28 in and an aspect ratio of 4:3, has an estimated output efficiency over 9.8% (11.8 lm@1 W) and an ANSI 9-point uniformity over 88.5%, with the ultrasmall volume 24  mm×19  mm×7  mm. Compared to the circular spot-illuminated projection system, a total increment of about 23% of system efficiency is available with this improved optical engine. It is believed that there would be a huge market potential to commercialize our design.

  14. Nonlinear effect of the structured light profilometry in the phase-shifting method and error correction

    International Nuclear Information System (INIS)

    Zhang Wan-Zhen; Chen Zhe-Bo; Xia Bin-Feng; Lin Bin; Cao Xiang-Qun

    2014-01-01

    Digital structured light (SL) profilometry is increasingly used in three-dimensional (3D) measurement technology. However, the nonlinearity of the off-the-shelf projectors and cameras seriously reduces the measurement accuracy. In this paper, first, we review the nonlinear effects of the projector–camera system in the phase-shifting structured light depth measurement method. We show that high order harmonic wave components lead to phase error in the phase-shifting method. Then a practical method based on frequency domain filtering is proposed for nonlinear error reduction. By using this method, the nonlinear calibration of the SL system is not required. Moreover, both the nonlinear effects of the projector and the camera can be effectively reduced. The simulations and experiments have verified our nonlinear correction method. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  15. Comparison of frequency-distance relationship and Gaussian-diffusion-based methods of compensation for distance-dependent spatial resolution in SPECT imaging

    International Nuclear Information System (INIS)

    Kohli, Vandana; King, Micgael A.; Glick, Stephen J.; Pan, Tin-Su

    1998-01-01

    The goal of this investigation was to compare resolution recovery versus noise level of two methods for compensation of distance-dependent resolution (DDR) in SPECT imaging. The two methods of compensation were restoration filtering based on the frequency-distance relationship (FDR) prior to iterative reconstruction, and modelling DDR in the projector/backprojector pair employed in iterative reconstruction. FDR restoration filtering was computationally faster than modelling the detector response in iterative reconstruction. Using Gaussian diffusion to model the detector response in iterative reconstruction sped up the process by a factor of 2.5 over frequency domain filtering in the projector/backprojector pair. Gaussian diffusion modelling resulted in a better resolution versus noise tradeoff than either FDR restoration filtering or solely modelling attenuation in the projector/backprojector pair of iterative reconstruction. For the pixel size investigated herein (0.317 cm), accounting for DDR in the projector/backprojector pair by Gaussian diffusion, or by applying a blurring function based on the distance from the face of the collimator at each distance, resulted in very similar resolution recovery and slice noise level. (author)

  16. El cine de Pérez Arroyo y los proyectores de juguete de posguerra / The Cinema of Pérez Arroyo and the Postwar Toy Projectors

    Directory of Open Access Journals (Sweden)

    Raúl González-Monaj

    2016-08-01

    Full Text Available La historia de la animación de posguerra en nuestro país, conocida como «la edad dorada», siempre ha resultado fascinante por el contexto en que se desarrolló y por ello se ha convertido en objeto de estudio, pero todavía quedan algunos episodios menores por ultimar. El presente trabajo pretende completar una de esas lagunas, la referente a la obra de Joaquín Pérez Arroyo y su posterior relación con el cine doméstico de juguete y su entorno. A través de esta investigación profundizaremos en las películas de este animador, apenas conocido, y en su decisiva participación en dos de los ejemplos más populares del cine de juguete nacional: Payá y Jefe. Casos que estuvieron conectados gracias a él y que se mueven entre el cine de papel y los 35 mm, entre el salón comedor y la sala de cine, entre Mikito y Quinito.Palabras clave: cortometraje de animación, CIFESA, proyector de juguete, Payá, Saludes, Jefe, Quinito. AbstractThe story of the postwar animation in Spain, known as the « Golden Age», has always been fascinating due to the context where it happened and so, it became object of study. Nevertheless, there are still some episodes to be finished. This study aims to complete one of these gaps as the one related to Joaquín Pérez Arroyo's work and his later connection to home cinema as a toy and its context. All through this research, we'll analyze films of this barely known author and his decisive participation in two of the most popular toy cinema examples in Spain: Payá and Jefe. Thanks to him, these two cases became connected, two worlds that coexist within the paper film and the 35 mm, between the living room and the movie theatre, between Mikito and Quinito.Keywords: animation short film, CIFESA, toy projector, Payá, Saludes, Jefe, Quinito.

  17. Prototype of sun projector device

    Science.gov (United States)

    Ihsan; Dermawan, B.

    2016-11-01

    One way to introduce astronomy to public, including students, can be handled by solar observation. The widely held device for this purpose is coelostat and heliostat. Besides using filter attached to a device such as telescope, it is safest to use indirect way for observing the Sun. The main principle of the indirect way is deflecting the sun light and projecting image of the sun on a screen. We design and build a simple and low-cost astronomical device, serving as a supplement to increase public service, especially for solar observation. Without using any digital and intricate supporting equipment, people can watch and relish image of the Sun in comfortable condition, i.e. in a sheltered or shady place. Here we describe a design and features of our prototype of the device, which still, of course, has some limitations. In the future, this prototype can be improved for more efficient and useful applications.

  18. ABINIT: a computer code for matter; Abinit: un code au service de la matiere

    Energy Technology Data Exchange (ETDEWEB)

    Amadon, B.; Bottin, F.; Bouchet, J.; Dewaele, A.; Jollet, F.; Jomard, G.; Loubeyre, P.; Mazevet, S.; Recoules, V.; Torrent, M.; Zerah, G. [CEA Bruyeres-le-Chatel, 91 (France)

    2008-07-01

    The PAW (Projector Augmented Wave) method has been implemented in the ABINIT Code that computes electronic structures in atoms. This method relies on the simultaneous use of a set of auxiliary functions (in plane waves) and a sphere around each atom. This method allows the computation of systems including many atoms and gives the expression of energy, forces, stress... in terms of the auxiliary function only. We have generated atomic data for iron at very high pressure (over 200 GPa). We get a bcc-hcp transition around 10 GPa and the magnetic order disappears around 50 GPa. This method has been validated on a series of metals. The development of the PAW method has required a great effort for the massive parallelization of the ABINIT code. (A.C.)

  19. Determination of accurate 1H positions of an alanine tripeptide with anti-parallel and parallel β-sheet structures by high resolution 1H solid state NMR and GIPAW chemical shift calculation.

    Science.gov (United States)

    Yazawa, Koji; Suzuki, Furitsu; Nishiyama, Yusuke; Ohata, Takuya; Aoki, Akihiro; Nishimura, Katsuyuki; Kaji, Hironori; Shimizu, Tadashi; Asakura, Tetsuo

    2012-11-25

    The accurate (1)H positions of alanine tripeptide, A(3), with anti-parallel and parallel β-sheet structures could be determined by highly resolved (1)H DQMAS solid-state NMR spectra and (1)H chemical shift calculation with gauge-including projector augmented wave calculations.

  20. Reliability evaluation of thermophysical properties from first-principles calculations.

    Science.gov (United States)

    Palumbo, Mauro; Fries, Suzana G; Dal Corso, Andrea; Kürmann, Fritz; Hickel, Tilmann; Neugebauer, Jürg

    2014-08-20

    Thermophysical properties, such as heat capacity, bulk modulus and thermal expansion, are of great importance for many technological applications and are traditionally determined experimentally. With the rapid development of computational methods, however, first-principles computed temperature-dependent data are nowadays accessible. We evaluate various computational realizations of such data in comparison to the experimental scatter. The work is focussed on the impact of different first-principles codes (QUANTUM ESPRESSO and VASP), pseudopotentials (ultrasoft and projector augmented wave) as well as phonon determination methods (linear response and direct force constant method) on these properties. Based on the analysis of data for two pure elements, Cr and Ni, consequences for the reliability of temperature-dependent first-principles data in computational thermodynamics are discussed.

  1. Ab initio thermodynamic properties of stoichiometric phases in the Ni-Al system

    International Nuclear Information System (INIS)

    Arroyave, R.; Shin, D.; Liu, Z.-K.

    2005-01-01

    In this work the thermodynamic properties of Al, Ni, NiAl and Ni 3 Al were obtained through ab initio methods. Through the use of density functional theory within the generalized gradient approximation and projector augmented-wave (PAW) pseudopotentials, the 0 K energetics of the structures were calculated. The supercell method was used to calculate the vibrational contributions to the free energy. The contribution of electronic degrees of freedom to the total free energy was also included in the calculations. The resulting free energy was used to calculate the enthalpies and entropies of the structures investigated. The comparison with experimental data is satisfactory, and the calculations compare well with recent results using linear response theory

  2. Evaluation of expansion algorithm of measurement range suited for 3D shape measurement using two pitches of projected grating with light source-stepping method

    Science.gov (United States)

    Sakaguchi, Toshimasa; Fujigaki, Motoharu; Murata, Yorinobu

    2015-03-01

    Accurate and wide-range shape measurement method is required in industrial field. The same technique is possible to be used for a shape measurement of a human body for the garment industry. Compact 3D shape measurement equipment is also required for embedding in the inspection system. A shape measurement by a phase shifting method can measure the shape with high spatial resolution because the coordinates can be obtained pixel by pixel. A key-device to develop compact equipment is a grating projector. Authors developed a linear LED projector and proposed a light source stepping method (LSSM) using the linear LED projector. The shape measurement euipment can be produced with low-cost and compact without any phase-shifting mechanical systems by using this method. Also it enables us to measure 3D shape in very short time by switching the light sources quickly. A phase unwrapping method is necessary to widen the measurement range with constant accuracy for phase shifting method. A general phase unwrapping method with difference grating pitches is often used. It is one of a simple phase unwrapping method. It is, however, difficult to apply the conventional phase unwrapping algorithm to the LSSM. Authors, therefore, developed an expansion unwrapping algorithm for the LSSM. In this paper, an expansion algorithm of measurement range suited for 3D shape measurement using two pitches of projected grating with the LSSM was evaluated.

  3. Method

    Directory of Open Access Journals (Sweden)

    Ling Fiona W.M.

    2017-01-01

    Full Text Available Rapid prototyping of microchannel gain lots of attention from researchers along with the rapid development of microfluidic technology. The conventional methods carried few disadvantages such as high cost, time consuming, required high operating pressure and temperature and involve expertise in operating the equipment. In this work, new method adapting xurography method is introduced to replace the conventional method of fabrication of microchannels. The novelty in this study is replacing the adhesion film with clear plastic film which was used to cut the design of the microchannel as the material is more suitable for fabricating more complex microchannel design. The microchannel was then mold using polymethyldisiloxane (PDMS and bonded with a clean glass to produce a close microchannel. The microchannel produced had a clean edge indicating good master mold was produced using the cutting plotter and the bonding between the PDMS and glass was good where no leakage was observed. The materials used in this method is cheap and the total time consumed is less than 5 hours where this method is suitable for rapid prototyping of microchannel.

  4. Fission products stability in uranium dioxide

    International Nuclear Information System (INIS)

    Brillant, G.; Gupta, F.; Pasturel, A.

    2011-01-01

    Fission product stability in nuclear fuels is investigated using density functional theory (DFT). In particular, incorporation and solution energies of He, Kr, Xe, I, Te, Ru, Sr and Ce in pre-existing trap sites of UO 2 (vacancies, interstitials, U-O divacancy, and Schottky trio defects) are calculated using the projector-augmented-wave method as implemented in the Vienna ab initio simulation package. Correlation effects are taken into account within the DFT+U approach. The stability of many binary and ternary compounds in comparison to soluted atoms is also explored. Finally the involvement of FP in the formation of metallic and oxide precipitates in oxide fuels is discussed in the light of experimental results.

  5. Carbon diffusion in molten uranium: an ab initio molecular dynamics study

    Science.gov (United States)

    Garrett, Kerry E.; Abrecht, David G.; Kessler, Sean H.; Henson, Neil J.; Devanathan, Ram; Schwantes, Jon M.; Reilly, Dallas D.

    2018-04-01

    In this work we used ab initio molecular dynamics within the framework of density functional theory and the projector-augmented wave method to study carbon diffusion in liquid uranium at temperatures above 1600 K. The electronic interactions of carbon and uranium were described using the local density approximation (LDA). The self-diffusion of uranium based on this approach is compared with literature computational and experimental results for liquid uranium. The temperature dependence of carbon and uranium diffusion in the melt was evaluated by fitting the resulting diffusion coefficients to an Arrhenius relationship. We found that the LDA calculated activation energy for carbon was nearly twice that of uranium: 0.55 ± 0.03 eV for carbon compared to 0.32 ± 0.04 eV for uranium. Structural analysis of the liquid uranium-carbon system is also discussed.

  6. Polytypism in ZnS, ZnSe, and ZnTe: First-principles study

    KAUST Repository

    Boutaiba, F.; Belabbes, Abderrezak; Ferhat, M.; Bechstedt, F.

    2014-01-01

    We report results of first-principles calculations based on the projector augmented wave (PAW) method to explore the structural, thermodynamic, and electronic properties of cubic (3C) and hexagonal (6H, 4H, and 2H) polytypes of II-VI compounds: ZnS, ZnSe, and ZnTe. We find that the different bond stacking in II-VI polytypes remarkably influences the resulting physical properties. Furthermore, the degree of hexagonality is found to be useful to understand both the ground-state properties and the electronic structure of these compounds. The resulting lattice parameters, energetic stability, and characteristic band energies are in good agreement with available experimental data. Trends with hexagonality of the polytype are investigated.

  7. Polytypism in ZnS, ZnSe, and ZnTe: First-principles study

    KAUST Repository

    Boutaiba, F.

    2014-06-23

    We report results of first-principles calculations based on the projector augmented wave (PAW) method to explore the structural, thermodynamic, and electronic properties of cubic (3C) and hexagonal (6H, 4H, and 2H) polytypes of II-VI compounds: ZnS, ZnSe, and ZnTe. We find that the different bond stacking in II-VI polytypes remarkably influences the resulting physical properties. Furthermore, the degree of hexagonality is found to be useful to understand both the ground-state properties and the electronic structure of these compounds. The resulting lattice parameters, energetic stability, and characteristic band energies are in good agreement with available experimental data. Trends with hexagonality of the polytype are investigated.

  8. Insight into the adsorption of chloramphenicol on a vermiculite surface

    Science.gov (United States)

    Tri, Nguyen Ngoc; Carvalho, A. J. P.; Dordio, A. V.; Nguyen, Minh Tho; Trung, Nguyen Tien

    2018-05-01

    Four stable configurations were found upon adsorption of the chloramphenicol on a period slab model of the vermiculite surface, using the PBE and C09-vdW functionals in a projector-augmented wave (PAW) method approach. The adsorption is a strong chemisorption process, characterized by an adsorption energy of -106.5 kcal mol-1 at the most stable configuration. Stability of configurations contributed mainly by Mg⋯O/Cl attractive electrostatic interactions and C/Osbnd H⋯O hydrogen bonds. It is remarkable that the vermiculite is found to be a solid material with good potential to be used for adsorption and consequent removal of this type of antibiotic drugs.

  9. Ab initio study of Ni2MnGa under shear deformation

    Directory of Open Access Journals (Sweden)

    Zelený Martin

    2015-01-01

    Full Text Available The effect of shear deformation on Ni2MnGa magnetic shape memory alloy has been investigated using ab initio electronic structure calculations. We used the projector-augmented wave method for the calculations of total energies and stresses as functions of applied affine shear deformation. The studied nonmodulated martensite (NM phase exhibits a tetragonally distorted L21 structure with c/a > 1. A large strain corresponding to simple shears in {001}, {100} and {100} systems was applied to describe a full path between two equivalent NM lattices. We also studied {101} shear which is related to twining of NM phase. Twin reorientation in this system is possible, because applied positive shear results in path with significantly smaller energetic barrier than for negative shear and for shears in other studied systems. When the full relaxation of lattice parameters is allowed, the barriers further strongly decrease and the structures along the twinning path can be considered as orthorhombic.

  10. Structural and electronic properties of chiral single-wall copper nanotubes

    Science.gov (United States)

    Duan, YingNi; Zhang, JianMin; Xu, KeWei

    2014-04-01

    The structural, energetic and electronic properties of chiral ( n, m) (3⩽ n⩽6, n/2⩽ m⩽ n) single-wall copper nanotubes (CuNTs) have been investigated by using projector-augmented wave method based on density-functional theory. The (4, 3) CuNT is energetically stable and should be observed experimentally in both free-standing and tip-suspended conditions, whereas the (5, 5) and (6, 4) CuNTs should be observed in free-standing and tip-suspended conditions, respectively. The number of conductance channels in the CuNTs does not always correspond to the number of atomic strands comprising the nanotube. Charge density contours show that there is an enhanced interatomic interaction in CuNTs compared with Cu bulk. Current transporting states display different periods and chirality, the combined effects of which lead to weaker chiral currents on CuNTs.

  11. Fully self-consistent GW calculations for molecules

    DEFF Research Database (Denmark)

    Rostgaard, Carsten; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer

    2010-01-01

    We calculate single-particle excitation energies for a series of 34 molecules using fully self-consistent GW, one-shot G0W0, Hartree-Fock (HF), and hybrid density-functional theory (DFT). All calculations are performed within the projector-augmented wave method using a basis set of Wannier...... functions augmented by numerical atomic orbitals. The GW self-energy is calculated on the real frequency axis including its full frequency dependence and off-diagonal matrix elements. The mean absolute error of the ionization potential (IP) with respect to experiment is found to be 4.4, 2.6, 0.8, 0.4, and 0...

  12. method

    Directory of Open Access Journals (Sweden)

    L. M. Kimball

    2002-01-01

    Full Text Available This paper presents an interior point algorithm to solve the multiperiod hydrothermal economic dispatch (HTED. The multiperiod HTED is a large scale nonlinear programming problem. Various optimization methods have been applied to the multiperiod HTED, but most neglect important network characteristics or require decomposition into thermal and hydro subproblems. The algorithm described here exploits the special bordered block diagonal structure and sparsity of the Newton system for the first order necessary conditions to result in a fast efficient algorithm that can account for all network aspects. Applying this new algorithm challenges a conventional method for the use of available hydro resources known as the peak shaving heuristic.

  13. Least-squares calibration method based on a universal phase and height mapping formula in Fourier transform profilometry

    International Nuclear Information System (INIS)

    Wen, Yongfu; Cheng, Haobo; Gao, Ya; Zhang, Huijing; Feng, Yunpeng; Pan, Baozhu

    2011-01-01

    In Fourier transform profilometry (FTP), we perform a strict theoretical analysis of the phase–height mapping relationship and give a universal calculation formula in which the constraints on the experimental setup are removed. In that case, the projector and camera can be located arbitrarily to get better information on fringes, which makes the system easy to manipulate and improves the speed of measurement. As the relationship between the phase and height distribution depends on system parameters (such as the relative position of the projector and camera) which are difficult to obtain, we propose a least-squares calibration approach for FTP, which can avoid measuring the system parameters directly. Both the simulation and experimental results prove that the 3D shape of the tested objects can be reconstructed exactly by using the calculation formula and calibration method, and that the system has better universality

  14. A comparative study between matched and mis-matched projection/back projection pairs used with ASIRT reconstruction method

    International Nuclear Information System (INIS)

    Guedouar, R.; Zarrad, B.

    2010-01-01

    For algebraic reconstruction techniques both forward and back projection operators are needed. The ability to perform accurate reconstruction relies fundamentally on the forward projection and back projection methods which are usually, the transpose of each other. Even though the mis-matched pairs may introduce additional errors during the iterative process, the usefulness of mis-matched projector/back projector pairs has been proved in image reconstruction. This work investigates the performance of matched and mis-matched reconstruction pairs using popular forward projectors and their transposes when used in reconstruction tasks with additive simultaneous iterative reconstruction techniques (ASIRT) in a parallel beam approach. Simulated noiseless phantoms are used to compare the performance of the investigated pairs in terms of the root mean squared errors (RMSE) which are calculated between reconstructed slices and the reference in different regions. Results show that mis-matched projection/back projection pairs can promise more accuracy of reconstructed images than matched ones. The forward projection operator performance seems independent of the choice of the back projection operator and vice versa.

  15. A comparative study between matched and mis-matched projection/back projection pairs used with ASIRT reconstruction method

    Energy Technology Data Exchange (ETDEWEB)

    Guedouar, R., E-mail: raja_guedouar@yahoo.f [Higher School of Health Sciences and Techniques of Monastir, Av. Avicenne, 5060 Monastir, B.P. 128 (Tunisia); Zarrad, B., E-mail: boubakerzarrad@yahoo.f [Higher School of Health Sciences and Techniques of Monastir, Av. Avicenne, 5060 Monastir, B.P. 128 (Tunisia)

    2010-07-21

    For algebraic reconstruction techniques both forward and back projection operators are needed. The ability to perform accurate reconstruction relies fundamentally on the forward projection and back projection methods which are usually, the transpose of each other. Even though the mis-matched pairs may introduce additional errors during the iterative process, the usefulness of mis-matched projector/back projector pairs has been proved in image reconstruction. This work investigates the performance of matched and mis-matched reconstruction pairs using popular forward projectors and their transposes when used in reconstruction tasks with additive simultaneous iterative reconstruction techniques (ASIRT) in a parallel beam approach. Simulated noiseless phantoms are used to compare the performance of the investigated pairs in terms of the root mean squared errors (RMSE) which are calculated between reconstructed slices and the reference in different regions. Results show that mis-matched projection/back projection pairs can promise more accuracy of reconstructed images than matched ones. The forward projection operator performance seems independent of the choice of the back projection operator and vice versa.

  16. Topological methods in gauge theory

    International Nuclear Information System (INIS)

    Sarukkai, S.R.

    1992-01-01

    The author begins with an overview of the important topological methods used in gauge theory. In the first chapter, the author discusses the general structure of fiber bundles and associated mathematical concepts and briefly discuss their application in gauge theory. The second chapter deals with the study of instantons in both gauge and gravity theories. These self-dual solutions are presented. This chapter is also a broad introduction to certain topics in gravitational physics. Gravity and gauge theory are unified in Kaluza-Klein theory as discussed in the third chapter. Of particular interest is the physics of the U(1) bundles over non-trivial manifolds. The radius of the fifth dimension is undetermined classically in the Kaluza-Klein theory. A mechanism is described using topological information to derive the functional form of the radius of the fifth dimension and show that it is possible classically to derive expressions for the radius as a consequence of topology. The behavior of the radius is dependent on the information present in the base metric. Results are computed for three gravitational instantons. Consequences of this mechanism are discussed. The description is studied of instantons in terms of projector valued fields and universal bundles. The results of the previous chapter and this are connected via the study of universal bundles. Projector valued transformations are defined and their consequences discussed. With the solutions of instantons in this formalism, it is shown explicitly that there can be solutions which allow for a Sp(n) instanton to be transformed to a Sp(k) instanton, thus showing that there can be interpolations which carry one instanton with a rank n to another characterized by rank k with different topological numbers

  17. Projection preconditioning for Lanczos-type methods

    Energy Technology Data Exchange (ETDEWEB)

    Bielawski, S.S.; Mulyarchik, S.G.; Popov, A.V. [Belarusian State Univ., Minsk (Belarus)

    1996-12-31

    We show how auxiliary subspaces and related projectors may be used for preconditioning nonsymmetric system of linear equations. It is shown that preconditioned in such a way (or projected) system is better conditioned than original system (at least if the coefficient matrix of the system to be solved is symmetrizable). Two approaches for solving projected system are outlined. The first one implies straightforward computation of the projected matrix and consequent using some direct or iterative method. The second approach is the projection preconditioning of conjugate gradient-type solver. The latter approach is developed here in context with biconjugate gradient iteration and some related Lanczos-type algorithms. Some possible particular choices of auxiliary subspaces are discussed. It is shown that one of them is equivalent to using colorings. Some results of numerical experiments are reported.

  18. Design and characterization of a mixed-signal PCB for digital-to-analog conversion in a modular and scalable infrared scene projector

    Science.gov (United States)

    Benedict, Jacob

    Infra-red (IR) sensors have proven instrumental in a wide variety of fields from military to industrial applications. The proliferation of IR sensors has spawned an intense push for technologies that can test and calibrate the multitudes of IR sensors. One such technology, IR scene projection (IRSP), provides an inexpensive and safe method for the testing of IR sensor devices. Previous efforts have been conducted to develop IRSPs based on super-lattice light emitting diodes (SLEDS). A single-color 512x512 SLEDs system has been developed, produced, and tested as documented in Corey Lange's Master's thesis, and a GOMAC paper by Rodney McGee [1][2]. Current efforts are being undergone to develop a two-color 512x512 SLEDs system designated (TCSA). The following thesis discusses the design and implementation of a custom printed circuit board (PCB), known as the FMC 4DAC, that contains both analog and digital signals. Utilizing two 16-bit digital-to-analog converters (DAC) the purpose of the board is to provide four analog current output channels for driving the TCSA system to a maximum frame rate of 1 kHz. In addition, the board supports a scalable TCSA system architecture. Several copies of the board can be run in parallel to achieve a range of analog channels between 4 and 32.

  19. [A Method for Selecting Self-Adoptive Chromaticity of the Projected Markers].

    Science.gov (United States)

    Zhao, Shou-bo; Zhang, Fu-min; Qu, Xing-hua; Zheng, Shi-wei; Chen, Zhe

    2015-04-01

    The authors designed a self-adaptive projection system which is composed of color camera, projector and PC. In detail, digital micro-mirror device (DMD) as a spatial light modulator for the projector was introduced in the optical path to modulate the illuminant spectrum based on red, green and blue light emitting diodes (LED). However, the color visibility of active markers is affected by the screen which has unknown reflective spectrum as well. Here active markers are projected spot array. And chromaticity feature of markers is sometimes submerged in similar spectral screen. In order to enhance the color visibility of active markers relative to screen, a method for selecting self-adaptive chromaticity of the projected markers in 3D scanning metrology is described. Color camera with 3 channels limits the accuracy of device characterization. For achieving interconversion of device-independent color space and device-dependent color space, high-dimensional linear model of reflective spectrum was built. Prior training samples provide additional constraints to yield high-dimensional linear model with more than three degrees of freedom. Meanwhile, spectral power distribution of ambient light was estimated. Subsequently, markers' chromaticity in CIE color spaces was selected via maximization principle of Euclidean distance. The setting values of RGB were easily estimated via inverse transform. Finally, we implemented a typical experiment to show the performance of the proposed approach. An 24 Munsell Color Checker was used as projective screen. Color difference in the chromaticity coordinates between the active marker and the color patch was utilized to evaluate the color visibility of active markers relative to the screen. The result comparison between self-adaptive projection system and traditional diode-laser light projector was listed and discussed to highlight advantage of our proposed method.

  20. 微型投影机中针对多色LED光源的反射环设计%The Design of Reflection Ring for Multi-Color LEDs in Pico Projector

    Institute of Scientific and Technical Information of China (English)

    王飞霞; 缪华; 张宇宁; 王婕妤; 李晓华

    2015-01-01

    随着投影技术和便携式设备的发展,希望得到具有高亮度、小体积光源模块的微型投影机。研究并分析了球形反射环、绕抛物线过顶点的对称轴旋转得到的双抛物面反射环和绕过抛物线焦点并与顶点和焦点连线垂直的直线旋转得到的双抛物面反射环等三种反射环,来提高多色LED封装的亮度。三种反射环中每个LED的输出光线将返回到与其成中心对称,轴对称或自身所在的位置,系统的亮度可提高0.5倍以上,并有利于减小光源模块的体积。%With the development of projection technology and portable devices,people want to get pico projector with light source module which is high brightness and small size. Three reflection rings were researched and ana⁃lyzed to increase the brightness of multi-color LED packages. They were spherical reflection ring,dual parabolic re⁃flection ring which were rotated around the symmetry axis of parabola and dual parabolic reflection ring which were rotated around the line that passed the focus and were perpendicular to the symmetry axis of parabola. The output from each LED was recycled back into the place where was central symmetric,axial symmetric or itself. These re⁃flection rings can help to improve the brightness of the system more than 0.5 times and reduce the volume of the light source module.

  1. On the scanning-measuring holographic projector

    International Nuclear Information System (INIS)

    Ciapetti, G.; Iori, M.; Laakso, I.

    1981-01-01

    This group has invested heavily in the past on film handling equipment design and construction. These include mangiaspagoes, IEP-type machines and PEPR. For the new machinery solutions incorporating existing systems are discussed. Hologram reconstruction tests are described. (author)

  2. Histopathology slide projector: a simple improvisation.

    Science.gov (United States)

    Agarwal, Akhilesh K R; Bhattacharya, Nirjhar

    2008-07-01

    The ability to examine histopathology and other hematological slides under microscope is a necessary and important service which should be available in every health facility. The slides need to be projected on to a screen. We describe an inexpensive and easily constructed technique for projecting magnified images of slides using a simple microscope. It is effective both for making observations and for use as a teaching aid.

  3. Invalid-point removal based on epipolar constraint in the structured-light method

    Science.gov (United States)

    Qi, Zhaoshuai; Wang, Zhao; Huang, Junhui; Xing, Chao; Gao, Jianmin

    2018-06-01

    In structured-light measurement, there unavoidably exist many invalid points caused by shadows, image noise and ambient light. According to the property of the epipolar constraint, because the retrieved phase of the invalid point is inaccurate, the corresponding projector image coordinate (PIC) will not satisfy the epipolar constraint. Based on this fact, a new invalid-point removal method based on the epipolar constraint is proposed in this paper. First, the fundamental matrix of the measurement system is calculated, which will be used for calculating the epipolar line. Then, according to the retrieved phase map of the captured fringes, the PICs of each pixel are retrieved. Subsequently, the epipolar line in the projector image plane of each pixel is obtained using the fundamental matrix. The distance between the corresponding PIC and the epipolar line of a pixel is defined as the invalidation criterion, which quantifies the satisfaction degree of the epipolar constraint. Finally, all pixels with a distance larger than a certain threshold are removed as invalid points. Experiments verified that the method is easy to implement and demonstrates better performance than state-of-the-art measurement systems.

  4. Extended abstract: Partial row projection methods

    Energy Technology Data Exchange (ETDEWEB)

    Bramley, R.; Lee, Y. [Indiana Univ., Bloomington, IN (United States)

    1996-12-31

    Accelerated row projection (RP) algorithms for solving linear systems Ax = b are a class of iterative methods which in theory converge for any nonsingular matrix. RP methods are by definition ones that require finding the orthogonal projection of vectors onto the null space of block rows of the matrix. The Kaczmarz form, considered here because it has a better spectrum for iterative methods, has an iteration matrix that is the product of such projectors. Because straightforward Kaczmarz method converges slowly for practical problems, typically an outer CG acceleration is applied. Definiteness, symmetry, or localization of the eigenvalues, of the coefficient matrix is not required. In spite of this robustness, work has generally been limited to structured systems such as block tridiagonal matrices because unlike many iterative solvers, RP methods cannot be implemented by simply supplying a matrix-vector multiplication routine. Finding the orthogonal projection of vectors onto the null space of block rows of the matrix in practice requires accessing the actual entries in the matrix. This report introduces a new partial RP algorithm which retains advantages of the RP methods.

  5. Scattering theory on the lattice and with a Monte Carlo method

    International Nuclear Information System (INIS)

    Kroeger, H.; Moriarty, K.J.M.; Potvin, J.

    1990-01-01

    We present an alternative time-dependent method of calculating the S matrix in quantum systems governed by a Hamiltonian. In the first step one constructs a new Hamiltonian that describes the physics of scattering at energy E with a reduced number of degrees of freedom. Its matrix elements are computed with a Monte Carlo projector method. In the second step the scattering matrix is computed algebraically via diagonalization and exponentiation of the new Hamiltonian. Although we have in mind applications in many-body systems and quantum field theory, the method should be applicable and useful in such diverse areas as atomic and molecular physics, nuclear physics, high-energy physics and solid-state physics. As an illustration of the method, we compute s-wave scattering of two nucleons in a nonrelativistic potential model (Yamaguchi potential), for which the S matrix is known exactly

  6. Investigation of Compton scattering correction methods in cardiac SPECT by Monte Carlo simulations

    International Nuclear Information System (INIS)

    Silva, A.M. Marques da; Furlan, A.M.; Robilotta, C.C.

    2001-01-01

    The goal of this work was the use of Monte Carlo simulations to investigate the effects of two scattering correction methods: dual energy window (DEW) and dual photopeak window (DPW), in quantitative cardiac SPECT reconstruction. MCAT torso-cardiac phantom, with 99m Tc and non-uniform attenuation map was simulated. Two different photopeak windows were evaluated in DEW method: 15% and 20%. Two 10% wide subwindows centered symmetrically within the photopeak were used in DPW method. Iterative ML-EM reconstruction with modified projector-backprojector for attenuation correction was applied. Results indicated that the choice of the scattering and photopeak windows determines the correction accuracy. For the 15% window, fitted scatter fraction gives better results than k = 0.5. For the 20% window, DPW is the best method, but it requires parameters estimation using Monte Carlo simulations. (author)

  7. A new reprojection method based on a comparison of popular reprojection models

    International Nuclear Information System (INIS)

    Guedouar, R.; Zarrad, B.

    2010-01-01

    Reprojection is of interest in several applications such as iterative tomographic reconstruction, dose-calculation in radiotherapy and 3D-display volume-rendering. All numerical implementations of reprojection result in varying degrees of errors. Popular reprojection methods were compared using 128x128 2D-noiseless-numerical uniform-disk and Shepp-Logan phantoms to evaluate errors in external-border, interior and overall regions of the reprojected sinogram, in order to investigate a new method for increasing their accuracy on all regions. Root mean squared errors (RMSE) (with calculated projection as reference) were used. No method gives the least errors in all regions. Smoothing projectors decrease noise but introduce important errors in the border region, whereas other projectors increase errors inside the reprojected sinogram. The overall-error is a trade-off between interior and border errors. The conventional ray-driven (R1) and the bilinear-interpolated pixel driven with 5x5 sub-pixels (L5) provide the highest accuracy for border and interior regions, respectively. These results motivate the implementation of a new reprojection method that uses R1 to project pixels near borders in the sinogram and L5 for the others. Feature borders were localized using the spatial derivatives of sinogram count profile. This method provides the least errors for all regions. The performance of the new method was investigated on iterative reconstruction tasks with MLEM. Results show that the new method can promise more accuracy in terms of RMSE and aliasing reduction of the reconstructed images.

  8. Comparison Between Different Teaching Methods to Increase Performance of Students in Biochemistry

    Directory of Open Access Journals (Sweden)

    Mrinal Pal

    2014-08-01

    RESULTS: The results of the study showed that as per the subjective assessment of the lectures concern, students preferred PPT teaching the most. As far as the students and #8217; performance was concerned the impact of traditional Chalk and Talk teaching was more than the lectures using transparency and overhead projector (TOHP and PowerPoint presentations (PPT. But when supplementing chalkboard with PPT or TOHP, the enhancement of the student and #8217;s preference and performance was much better. This fact was true about teacher and #8217;s preference also. CONCLUSION: This observation may probably be due to the fact that, inherent deficiency of each teaching aid was compensated by the other. With regard to teaching method, the combination of teaching methods was more effective when compared to didactic lectures. [TAF Prev Med Bull 2014; 13(4.000: 281-288

  9. Theoretical study of physical properties and oxygen incorporation effect in nanolaminated ternary carbides 211-MAX phases

    KAUST Repository

    Kanoun, Mohammed

    2012-01-01

    In this chapter, we employ ab initio approaches to review some important physical properties of nanolaminated ternary carbides MAX phases. We fi rstly use an all electron full-potential linearized augmented plane-wave method within the generalized gradient approximation and the density functional theory approaches, to explore the existence of a steric effect on the M site in these compounds. The elastic properties are also reported in order to assess the mechanical stability. The substitution of oxygen for carbon in Ti 2 SnC M n +1 AX n, forming Ti 2 SnC 1- x O x, is examined next, where we simulated the effect of oxygen incorporation on mechanical and electronic properties using projector augmented wave method. We show that oxygen has interesting effects on both of elastic and electronic properties, that the bulk modulus decreases when oxygen concentration increases. The bonding in Ti 2 SnC 1- x O x has a tendency to a covalent-ionic nature with the presence of metallic character. © 2012 Woodhead Publishing Limited.

  10. Relativistic nuclear magnetic resonance J-coupling with ultrasoft pseudopotentials and the zeroth-order regular approximation

    International Nuclear Information System (INIS)

    Green, Timothy F. G.; Yates, Jonathan R.

    2014-01-01

    We present a method for the first-principles calculation of nuclear magnetic resonance (NMR) J-coupling in extended systems using state-of-the-art ultrasoft pseudopotentials and including scalar-relativistic effects. The use of ultrasoft pseudopotentials is allowed by extending the projector augmented wave (PAW) method of Joyce et al. [J. Chem. Phys. 127, 204107 (2007)]. We benchmark it against existing local-orbital quantum chemical calculations and experiments for small molecules containing light elements, with good agreement. Scalar-relativistic effects are included at the zeroth-order regular approximation level of theory and benchmarked against existing local-orbital quantum chemical calculations and experiments for a number of small molecules containing the heavy row six elements W, Pt, Hg, Tl, and Pb, with good agreement. Finally, 1 J(P-Ag) and 2 J(P-Ag-P) couplings are calculated in some larger molecular crystals and compared against solid-state NMR experiments. Some remarks are also made as to improving the numerical stability of dipole perturbations using PAW

  11. Semiconductor growth on an oxide using a metallic surfactant and interface studies for potential gate stacks from first principles

    Energy Technology Data Exchange (ETDEWEB)

    Reyes Huamantinco, Andrei

    2008-05-09

    In this work the epitaxial growth of germanium on SrHfO{sub 3}(001), and the La{sub 2}Hf{sub 2}O{sub 7}/Si(001) and SrTiO{sub 3}/GaAs(001) interfaces were studied theoretically using the Projector-Augmented Wave (PAW) method. The PAW method is based on Density Functional Theory and it is implemented in the Car-Parrinello Ab-Initio Molecular Dynamics. The goal of the germanium growth on SrHfO{sub 3}(001) is to form a germanium film with low density of defects and smooth morphology, to be used as channel in a transistor. The feasibility of using a third material to achieve germanium layer-by-layer growth was investigated. The formation of an ordered strontium film on a SrO-terminated oxide substrate, to be used as template for germanium overgrowth, was studied. Deposition of germanium on the strontium 1ML template results in wetting and thus a change of the growth mode to layer-by-layer. The germanium surface is then passivated and a germanium compound is initially formed with strontium at the surface and interface. The interfacial structure and valence band offsets of the La{sub 2}Hf{sub 2}O{sub 7}/Si(001) crystalline system were studied. The SrTiO{sub 3}/GaAs(001) crystalline interfaces with unpinned Fermi level were investigated. (orig.)

  12. Semiempirical and DFT computations of the influence of Tb(III) dopant on unit cell dimensions of cerium(III) fluoride.

    Science.gov (United States)

    Shyichuk, Andrii; Runowski, Marcin; Lis, Stefan; Kaczkowski, Jakub; Jezierski, Andrzej

    2015-01-30

    Several computational methods, both semiempirical and ab initio, were used to study the influence of the amount of dopant on crystal cell dimensions of CeF3 doped with Tb(3+) ions (CeF3 :Tb(3+) ). AM1, RM1, PM3, PM6, and PM7 semiempirical parameterization models were used, while the Sparkle model was used to represent the lanthanide cations in all cases. Ab initio calculations were performed by means of GGA+U/PBE projector augmented wave density functional theory. The computational results agree well with the experimental data. According to both computation and experiment, the crystal cell parameters undergo a linear decrease with increasing amount of the dopant. The computations performed using Sparkle/PM3 and DFT methods resulted in the best agreement with the experiment with the average deviation of about 1% in both cases. Typical Sparkle/PM3 computation on a 2×2×2 supercell of CeF3:Tb3+ lasted about two orders of magnitude shorter than the DFT computation concerning a unit cell of this material. © 2014 Wiley Periodicals, Inc.

  13. Colour change in biferroic YCrO_3 under high pressure: a combined experimental and density functional theory investigation

    International Nuclear Information System (INIS)

    Chakraborty, Brahmananda; Mall, Ashish Kumar; Gupta, Rajeev; Chitnis, Abhishek; Garg, Nandini; Ramaniah, Lavanya M.; Sharma, Surinder M.

    2016-01-01

    Biferroic materials find potential applications in various technological fields due to their simultaneous ferroelectric and ferromagnetic ordering. Yttrium chromite (YCrO_3) is found to be a biferroic having orthorhombic structure with Pnma space group. Combining both experiment and density functional theory (DFT), we have investigated the high pressure behaviour of YCrO_3 up to 100 GPa. We have observed a colour change in YCrO_3 from yellow-green to red at pressures larger than 40 GPa, which can be correlated with reduction in band gap under pressure. Present experimental data seems to suggest no structural transition upto 100 GPa. All the calculations are carried out using the DFT based projector augmented wave (PAW) method as implemented in the VASP code. As DFT has a limitation in predicting the correct band gap, we have employed the GGA+U method to compute the band gap. The computed band gap of 2.33 eV in ambient condition is close to the experimental value of 2.4 eV. The X-ray diffraction experiments were carried out in an indigenously designed diamond anvil cell

  14. Difference in the structures of alanine tri- and tetra-peptides with antiparallel β-sheet assessed by X-ray diffraction, solid-state NMR and chemical shift calculations by GIPAW.

    Science.gov (United States)

    Asakura, Tetsuo; Yazawa, Koji; Horiguchi, Kumiko; Suzuki, Furitsu; Nishiyama, Yusuke; Nishimura, Katsuyuki; Kaji, Hironori

    2014-01-01

    Alanine oligomers provide a key structure for silk fibers from spider and wild silkworms.We report on structural analysis of L-alanyl-L-alanyl-L-alanyl-L-alanine (Ala)4 with anti-parallel (AP) β-structures using X-ray and solid-state NMR. All of the Ala residues in the (Ala)4 are in equivalent positions, whereas for alanine trimer (Ala)3 there are two alternative locations in a unit cell as reported previously (Fawcett and Camerman, Acta Cryst., 1975, 31, 658-665). (Ala)4 with AP β-structure is more stable than AP-(Ala)3 due to formation of the stronger hydrogen bonds. The intermolecular structure of (Ala)4 is also different from polyalanine fiber structure, indicating that the interchain arrangement of AP β-structure changes with increasing alanine sequencelength. Furthermore the precise (1)H positions, which are usually inaccesible by X-ray diffraction method, are determined by high resolution (1)H solid state NMR combined with the chemical shift calculations by the gauge-including projector augmented wave method. Copyright © 2013 Wiley Periodicals, Inc.

  15. The equation of state of B2-type NaCl

    International Nuclear Information System (INIS)

    Ono, S

    2010-01-01

    The equation of state (EOS) of B2-type NaCl has been investigated to 270 GPa and 3000 K using the first-principles molecular dynamics method and high-pressure experiments in a diamond anvil cell. We used the high-pressure experimental data to determine the compressibility at room temperature, and used the generalized gradient approximation (GGA) and the projector augmented-wave method (PAW) in simulations to calculate the thermal pressure. A Vinet EOS fitted to the room temperature data yielded an isothermal bulk modulus of B T0 = 39.25 GPa and a pressure derivative of B T0 ' = 4.72. The high-temperature data from the first-principles calculations were fitted to the thermal pressure EOS. The resulting calculated parameters of the thermal pressure, αB T (V 0 ,T) and (δB T /δT) V , were 3.28 x 10 -3 (GPa/K) and 4.3 x10 -4 (GPa/K), respectively. A small volume dependence of the thermal pressure of B2-type NaCl was revealed from the analysis of our data. A significant temperature dependence of the calculated Grueneisen parameters was confirmed. This indicates that the conventional approach using the Mie-Grueneisen approximation is likely to have a significant uncertainty in determining the EOS for B2-type NaCl, and that an intrinsic anharmonicity should be considered to analyze the EOS.

  16. Ab initio study of Cr interactions with point defects in bcc Fe

    International Nuclear Information System (INIS)

    Olsson, P.; Domain, Ch.; Wallenius, J.

    2008-01-01

    Full text of publication follows. Ferritic martensitic steels are candidate structural materials for fast neutron reactors, and in particular high-Cr reduced-activation steels. In Fe-Cr alloys, Cr plays a major role in the radiation-induced evolution of the mechanical properties. Using ab initio calculations based on density functional theory, the properties of Cr in α-Fe have been investigated. The intrinsic point defect formation energies were found to be larger in model bcc Cr as compared to those in ferromagnetic bcc Fe. The interactions of Cr with point defects (vacancy and self interstitials) have been characterised. Single Cr atoms interact weakly with vacancies but significantly with self-interstitial atoms. Mixed interstitials of any interstitial symmetry are bound. Configurations where two Cr atoms are in nearest neighbour position are generally unfavourable in bcc Fe except when they are a part of a interstitial complex. Mixed interstitials do not have as strong directional stability as pure Fe interstitials have. The effects on the results using the atom description scheme of either the ultrasoft pseudo-potential (USPP) or the projector augmented wave (PAW) formalisms are connected to the differences in local magnetic moments that the two methods predict. As expected for the Fe-Cr system, the results obtained using the PAW method are more reliable than the ones obtained with USPP. (authors)

  17. Pseudo-potential method for taking into account the Pauli principle in cluster systems

    International Nuclear Information System (INIS)

    Krasnopol'skii, V.M.; Kukulin, V.I.

    1975-01-01

    In order to take account of the Pauli principle in cluster systems (such as 3α, α + α + n) a convenient method of renormalization of the cluster-cluster deep attractive potentials with forbidden states is suggested. The renormalization consists of adding projectors upon the occupied states with an infinite coupling constant to the initial deep potential which means that we pass to pseudo-potentials. The pseudo-potential approach in projecting upon the noneigenstates is shown to be equivalent to the orthogonality condition model of Saito et al. The orthogonality of the many-particle wave function to the forbidden states of each two-cluster sub-system is clearly demonstrated

  18. Enhanced vibronic interaction caused by local lattice symmetry lowering in the (Fe, Mg)As2 ternary system

    Science.gov (United States)

    Pishtshev, A.; Rubin, P.

    2018-04-01

    By means of periodic density functional theory (DFT) electronic structure calculations, we investigate iron-site doping effects in a structural model of bulk FeAs2. Simulations performed within the projector augmented-wave method-Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA) functional scheme reveal that the impacts of the two stoichiometric substitutions Fe → Mg and Fe → Ni are radically different with respect to the structural and electronic behavior of the dopants. In particular, unlike the Ni dopant, the Mg dopant incorporated in FeAs2 occupies a noncentral equilibrium position characterized by an off-center displacement from the reference higher-symmetry position. Analysis of the respective electron and vibrational factors allows us to explain this result in terms of the local pseudo Jahn-Teller effect (pJTE). On the basis of DFT calculations, we deduce which electron orbitals and lattice vibrational modes are appropriate for promoting the local instability at the origin of the pJTE. Quantitative evaluations of the pJTE parameters performed within the polyatomic formalism of an effective tight-binding model show that it is just the enhanced vibronic interaction in the Mg-[FeAs6] cluster that is responsible for the local lattice symmetry breaking.

  19. First-principle study on O–A–O dumbbell of delafossite crystal

    International Nuclear Information System (INIS)

    Jiang, H.F.; Gui, C.Y.; Zhu, Y.Y.; Wu, D.J.; Sun, S.P.; Xiong, C.; Zhu, X.B.

    2014-01-01

    Highlights: • From Cu to Ag, the increase of c parameters is attributed to electrostatic repulsion. • The difference charge density shows the bonding of Ag–O is more covalent. • Effective mass of AgAlO 2 along the [0 0 1] direction is smaller than that of CuAlO 2 . -- Abstract: Taking CuAlO 2 and AgAlO 2 for instance, O–A–O dumbbell-related electronic properties in delafossite lattice were systematically investigated by using the first-principles projector augmented wave method. Compared with CuAlO 2 , the increase of c parameter comes from the volume effect and electrostatic repulsion due to excess overlap of electron clouds between Ag and O atoms. The difference charge density demonstrates the interaction of A d z2 and O p z orbitals, and suggests the stronger covalent hybridization of Ag–O. The effective masses of these two compounds along [0 0 1] direction are remarkably different. Ag vacancy has lower formation energy relative to Cu one, which could benefit from longer c axis. The differences derived from O–A–O dumbbell could be helpful for thoroughly understanding its role in delafossite lattice

  20. NMR characterization of hydrocarbon adsorption on calcite surfaces: A first principles study

    Energy Technology Data Exchange (ETDEWEB)

    Bevilaqua, Rochele C. A.; Miranda, Caetano R. [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, UFABC, Santo André, SP (Brazil); Rigo, Vagner A. [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, UFABC, Santo André, SP (Brazil); Universidade Tecnológica Federal do Paraná, UTFPR, Cornélio Procópio, PR (Brazil); Veríssimo-Alves, Marcos [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, UFABC, Santo André, SP (Brazil); Departamento de Física, ICEx, Universidade Federal Fluminense, UFF, Volta Redonda, RJ (Brazil)

    2014-11-28

    The electronic and coordination environment of minerals surfaces, as calcite, are very difficult to characterize experimentally. This is mainly due to the fact that there are relatively few spectroscopic techniques able to detect Ca{sup 2+}. Since calcite is a major constituent of sedimentary rocks in oil reservoir, a more detailed characterization of the interaction between hydrocarbon molecules and mineral surfaces is highly desirable. Here we perform a first principles study on the adsorption of hydrocarbon molecules on calcite surface (CaCO{sub 3} (101{sup ¯}4)). The simulations were based on Density Functional Theory with Solid State Nuclear Magnetic Resonance (SS-NMR) calculations. The Gauge-Including Projector Augmented Wave method was used to compute mainly SS-NMR parameters for {sup 43}Ca, {sup 13}C, and {sup 17}O in calcite surface. It was possible to assign the peaks in the theoretical NMR spectra for all structures studied. Besides showing different chemical shifts for atoms located on different environments (bulk and surface) for calcite, the results also display changes on the chemical shift, mainly for Ca sites, when the hydrocarbon molecules are present. Even though the interaction of the benzene molecule with the calcite surface is weak, there is a clearly distinguishable displacement of the signal of the Ca sites over which the hydrocarbon molecule is located. A similar effect is also observed for hexane adsorption. Through NMR spectroscopy, we show that aromatic and alkane hydrocarbon molecules adsorbed on carbonate surfaces can be differentiated.

  1. Thermodynamics and elastic properties of Ir from first-principle calculations

    International Nuclear Information System (INIS)

    Li Qiang; Huang Duohui; Cao Qilong; Wang Fanhou

    2013-01-01

    Within the framework of the quasiharmonic approximation, the thermodynamics and elastic properties, including phonon dispersion curves, equation of state, linear thermal expansion coefficient and temperature-dependent entropy, enthalpy, heat capacity, elastic constants, bulk modulus, shear modulus, Young's modulus of Ir have been studied using first-principles projector-augmented wave method. The results revealed that the predicted phonon dispersion curves of Ir are in agreement with the experimental measurements by neutron diffractions. Considering the thermal electronic contribution to Helmholtz free energy, the calculated entropy, enthalpy, heat capacity and linear thermal expansion co- efficient from the first-principle are consistent well with the experimental data. At 2600 K, the electronic heat capacity accounts for 17% of the total heat capacity at constant pressure, thus the thermal electronic contribution to Helmholtz free energy is very important. The predicted elastic constants, bulk modulus, shear modulus and Young's modulus at room temperature are also in agreement with the available measurements and increase with the increasing temperature. (authors)

  2. First principle study on generalized-stacking-fault energy surfaces of B2-AlRE intermetallic compounds

    Science.gov (United States)

    Li, Shaorong; Wang, Shaofeng; Wang, Rui

    2011-12-01

    First-principles calculations are used to predict the generalized-stacking-fault energy (GSFE) surfaces of AlRE intermetallics. The calculations employ the projector augmented-wave (PAW) method within the generalized gradient approximation (GGA) using the density functional theory (DFT). GSFE curves along {1 1 0} direction, {1 1 0} direction and {1 1 0} direction have been calculated. The fitted GSFE surfaces have been obtained from the Fourier series based on the translational symmetry. In order to illuminate the reasonable of our computational accuracy, we have compared our theoretical results of B2 intermetallics YCu with the previous calculated results. The unstable-stacking-fault energy (γus) on the {1 1 0} plane has the laws of AlPr, and directions. For the antiphase boundary (APB) energy, that of AlSc is the lowest in the calculated AlRE intermetallics. So the superdislocation with the Burgers vector along direction of AlSc will easily split into two superpartials.

  3. Strong and weak adsorption of CO{sub 2} on PuO{sub 2} (1 1 0) surfaces from first principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Yu, H.L. [Science and Technology on Surface Physics and Chemistry Laboratory, P.O. Box 718-35, Mianyang 621907 (China); Department of Engineering Physics, Tsinghua University, Beijing 100084 (China); Deng, X.D. [Department of Engineering Physics, Tsinghua University, Beijing 100084 (China); Li, G.; Lai, X.C. [Science and Technology on Surface Physics and Chemistry Laboratory, P.O. Box 718-35, Mianyang 621907 (China); Meng, D.Q., E-mail: yuhuilong2002@126.com [Science and Technology on Surface Physics and Chemistry Laboratory, P.O. Box 718-35, Mianyang 621907 (China)

    2014-10-15

    Highlights: • The CO{sub 2} adsorption on PuO{sub 2} (1 1 0) surface was studied by GGA + U. • Both weak and strong adsorptions exist between CO{sub 2} and the PuO{sub 2} (1 1 0) surface. • Electrostatic interactions were involved in the weak interactions. • Covalent bonding was developed in the strong adsorptions. - Abstract: The CO{sub 2} adsorption on plutonium dioxide (PuO{sub 2}) (1 1 0) surface was studied using projector-augmented wave (PAW) method based on density-functional theory corrected for onsite Coulombic interactions (GGA + U). It is found that CO{sub 2} has several different adsorption features on PuO{sub 2} (1 1 0) surface. Both weak and strong adsorptions exist between CO{sub 2} and the PuO{sub 2} (1 1 0) surface. Further investigation of partial density of states (PDOS) and charge density difference on two typical absorption sites reveal that electrostatic interactions were involved in the weak interactions, while covalent bonding was developed in the strong adsorptions.

  4. Atomic adsorption on pristine graphene along the Periodic Table of Elements - From PBE to non-local functionals

    Science.gov (United States)

    Pašti, Igor A.; Jovanović, Aleksandar; Dobrota, Ana S.; Mentus, Slavko V.; Johansson, Börje; Skorodumova, Natalia V.

    2018-04-01

    The understanding of atomic adsorption on graphene is of high importance for many advanced technologies. Here we present a complete database of the atomic adsorption energies for the elements of the Periodic Table up to the atomic number 86 (excluding lanthanides) on pristine graphene. The energies have been calculated using the projector augmented wave (PAW) method with PBE, long-range dispersion interaction corrected PBE (PBE+D2, PBE+D3) as well as non-local vdW-DF2 approach. The inclusion of dispersion interactions leads to an exothermic adsorption for all the investigated elements. Dispersion interactions are found to be of particular importance for the adsorption of low atomic weight earth alkaline metals, coinage and s-metals (11th and 12th groups), high atomic weight p-elements and noble gases. We discuss the observed adsorption trends along the groups and rows of the Periodic Table as well some computational aspects of modelling atomic adsorption on graphene.

  5. Calculation of spin-spin zero-field splitting within periodic boundary conditions: Towards all-electron accuracy

    Science.gov (United States)

    Biktagirov, Timur; Schmidt, Wolf Gero; Gerstmann, Uwe

    2018-03-01

    For high-spin centers, one of the key spectroscopic fingerprints is the zero-field splitting (ZFS) addressable by electron paramagnetic resonance. In this paper, an implementation of the spin-spin contribution to the ZFS tensor within the projector augmented-wave (PAW) formalism is reported. We use a single-determinant approach proposed by M. J. Rayson and P. R. Briddon [Phys. Rev. B 77, 035119 (2008), 10.1103/PhysRevB.77.035119], and complete it by adding a PAW reconstruction term which has not been taken into account before. We benchmark the PAW approach against a well-established all-electron method for a series of diatomic radicals and defects in diamond and cubic silicon carbide. While for some of the defect centers the PAW reconstruction is found to be almost negligible, in agreement with the common assumption, we show that in general it significantly improves the calculated ZFS towards the all-electron results.

  6. First-principles study of structural phase transition, electronic, elastic and thermodynamic properties of C15-type Laves phase TiCr2 under pressure

    Science.gov (United States)

    He, Li-Zhi; Zhu, Jun; Zhang, Lin

    2018-02-01

    Phase transition of TiCr2 in C15 (MgCu2), C36 (MgNi2), C14 (MgZn2) structures have been studied by using the projector augmented wave method. It is found that C15-type is the most stable structure, which agrees with the results of Chen et al. At 0 K, the phase boundary of C15 to C36 is 207.79 GPa, and the phase transition from C36 to C14 is 265.61 GPa. Both the transition pressures decrease with increasing temperature. Phonon dispersion and elastic constants are calculated and found that C15-type TiCr2 is mechanically stable according to the elastic stability criteria and phonon dispersion analysis. Moreover, the pressure and temperature dependence of the specific heat, Debye temperature and thermal expansion coefficient are discussed, among them our calculated Debye temperature is consistent with the report of A. sari et al., however, it is far from the results of B. Mayer et al. and Chen et al.

  7. Effect of van der Waals interactions on the structural and binding properties of GaSe

    Energy Technology Data Exchange (ETDEWEB)

    Sarkisov, Sergey Y., E-mail: sarkisov@mail.tsu.ru [Tomsk State University, Lenin Avenue 36, 634050 Tomsk (Russian Federation); Kosobutsky, Alexey V., E-mail: kosobutsky@kemsu.ru [Tomsk State University, Lenin Avenue 36, 634050 Tomsk (Russian Federation); Kemerovo State University, Krasnaya 6, 650043 Kemerovo (Russian Federation); Shandakov, Sergey D. [Kemerovo State University, Krasnaya 6, 650043 Kemerovo (Russian Federation)

    2015-12-15

    The influence of van der Waals interactions on the lattice parameters, band structure, elastic moduli and binding energy of layered GaSe compound has been studied using projector-augmented wave method within density functional theory. We employed the conventional local/semilocal exchange-correlation functionals and recently developed van der Waals functionals which are able to describe dispersion forces. It is found that application of van der Waals density functionals allows to substantially increase the accuracy of calculations of the lattice constants a and c and interlayer distance in GaSe at ambient conditions and under hydrostatic pressure. The pressure dependences of the a-parameter, Ga–Ga, Ga–Se bond lengths and Ga–Ga–Se bond angle are characterized by a relatively low curvature, while c(p) has a distinct downward bowing due to nonlinear shrinking of the interlayer spacing. From the calculated binding energy curves we deduce the interlayer binding energy of GaSe, which is found to be in the range 0.172–0.197 eV/layer (14.2–16.2 meV/Å{sup 2}). - Highlights: • Effects of van der Waals interactions are analyzed using advanced density functionals. • Calculations with vdW-corrected functionals closely agree with experiment. • Interlayer binding energy of GaSe is estimated to be 14.2–16.2 meV/Å{sup 2}.

  8. On the use of atomistic simulations to aid bulk metallic glasses structural elucidation with solid-state NMR.

    Science.gov (United States)

    Ferreira, Ary R; Rino, José P

    2017-08-24

    Solid-state nuclear magnetic resonance (ssNMR) experimental 27 Al metallic shifts reported in the literature for bulk metallic glasses (BMGs) were revisited in the light of state-of-the-art atomistic simulations. In a consistent way, the Gauge-Including Projector Augmented-Wave (GIPAW) method was applied in conjunction with classical molecular dynamics (CMD). A series of Zr-Cu-Al alloys with low Al concentrations were selected as case study systems, for which realistic CMD derived structural models were used for a short- and medium-range order mining. That initial procedure allowed the detection of trends describing changes on the microstructure of the material upon Al alloying, which in turn were used to guide GIPAW calculations with a set of abstract systems in the context of ssNMR. With essential precision and accuracy, the ab initio simulations also yielded valuable trends from the electronic structure point of view, which enabled an overview of the bonding nature of Al-centered clusters as well as its influence on the experimental ssNMR outcomes. The approach described in this work might promote the use of ssNMR spectroscopy in research on glassy metals. Moreover, the results presented demonstrate the possibility to expand the applications of this technique, with deeper insight into nuclear interactions and less speculative assignments.

  9. Pentacene Multilayers On Ag(111) Surface

    International Nuclear Information System (INIS)

    Mete, E.

    2010-01-01

    The structural profiles and electronic properties of pentacene (C 2 2H 1 4) multilayers on Ag(111) surface has been studied within the density functional theory (DFT) framework. We have performed first-principle total energy calculations based on the projector augmented wave (PAW) method to investigate the initial growth patterns of pentacene (Pn) on Ag(111) surface. In its bulk phase, pentacene crystallizes with a triclinic symmetry while a thin film phase having an orthorhombic unit cell is energetically less favorable by 0.12 eV/cell. Pentacene prefers to stay planar on Ag(111) surface and aligns perfectly along lattice vector (1,-1,0) without any molecular deformation at a height of 3.9 angstroms. At one monolayer (ML) coverage the separation between the molecular layer and the surface plane extends to 4.1 angstroms due to intermolecular interactions weakening surface-pentacene attraction. While the first ML remains flat, the molecules on a second full pentacene layer deposited on the surface rearrange so that they become skewed with respect to each other. This adsorption mode is energetically more preferable than the one for which the molecules form a flat pentacene layer by an energy difference similar to that obtained for bulk and thin film phases. Moreover, as new layers added, pentacenes assemble to maintain this skewness for 3 and 4 ML similar to its bulk phase while the first ML always remains flat. Therefore, our calculations indicate bulk-like initial stages for the growth pattern.

  10. High pressure structural behavior of YGa2: A combined experimental and theoretical study

    International Nuclear Information System (INIS)

    Sekar, M.; Shekar, N.V. Chandra; Babu, R.; Sahu, P. Ch.; Sinha, A.K.; Upadhyay, Anuj; Singh, M.N.; Babu, K. Ramesh; Appalakondaiah, S.; Vaitheeswaran, G.; Kanchana, V.

    2015-01-01

    High pressure structural stability studies were carried out on YGa 2 (AlB 2 type structure at NTP, space group P6/mmm) up to a pressure of ~35 GPa using both laboratory based rotating anode and synchrotron X-ray sources. An isostructural transition with reduced c/a ratio, was observed at ~6 GPa and above ~17.5 GPa, the compound transformed to orthorhombic structure. Bulk modulus B 0 for the parent and high pressure phases were estimated using Birch–Murnaghan and modified Birch–Murnaghan equation of state. Electronic structure calculations based on projector augmented wave method confirms the experimentally observed two high pressure structural transitions. The calculations also reveal that the ‘Ga’ networks remains as two dimensional in the high pressure isostructural phase, whereas the orthorhombic phase involves three dimensional networks of ‘Ga’ atoms interconnected by strong covalent bonds. - Graphical abstract: High pressure X-ray diffraction patterns of YGa 2 up to ~35 GPa shows an isostructural phase transition at ~5 GPa and transition to an orthorhombic structure ~14 GPa. - Highlights: • High pressure structural stability studies were carried out on YGa 2 up to 35 GPa. • An isostructural transition with reduced c/a ratio was observed above 6 GPa. • Above 17.5 GPa, the compound transformed to orthorhombic structure. • PAW based electronic structure calculations have been carried out. • Calculations confirm the experimentally observed structural transitions

  11. Hubbard physics in the PAW GW approximation

    Energy Technology Data Exchange (ETDEWEB)

    Booth, J. M., E-mail: jamie.booth@rmit.edu.au; Smith, J. S.; Russo, S. P. [Theoretical Chemical and Quantum Physics, School of Science, RMIT University, Melbourne, VIC (Australia); Drumm, D. W. [Theoretical Chemical and Quantum Physics, School of Science, RMIT University, Melbourne, VIC (Australia); Australian Research Council Centre of Excellence for Nanoscale BioPhotonics, School of Science, RMIT University, Melbourne, VIC (Australia); Casey, P. S. [CSIRO Manufacturing, Clayton, VIC (Australia)

    2016-06-28

    It is demonstrated that the signatures of the Hubbard Model in the strongly interacting regime can be simulated by modifying the screening in the limit of zero wavevector in Projector-Augmented Wave GW calculations for systems without significant nesting. This modification, when applied to the Mott insulator CuO, results in the opening of the Mott gap by the splitting of states at the Fermi level into upper and lower Hubbard bands, and exhibits a giant transfer of spectral weight upon electron doping. The method is also employed to clearly illustrate that the M{sub 1} and M{sub 2} forms of vanadium dioxide are fundamentally different types of insulator. Standard GW calculations are sufficient to open a gap in M{sub 1} VO{sub 2}, which arise from the Peierls pairing filling the valence band, creating homopolar bonds. The valence band wavefunctions are stabilized with respect to the conduction band, reducing polarizability and pushing the conduction band eigenvalues to higher energy. The M{sub 2} structure, however, opens a gap from strong on-site interactions; it is a Mott insulator.

  12. Computational challenges of large-scale, long-time, first-principles molecular dynamics

    International Nuclear Information System (INIS)

    Kent, P R C

    2008-01-01

    Plane wave density functional calculations have traditionally been able to use the largest available supercomputing resources. We analyze the scalability of modern projector-augmented wave implementations to identify the challenges in performing molecular dynamics calculations of large systems containing many thousands of electrons. Benchmark calculations on the Cray XT4 demonstrate that global linear-algebra operations are the primary reason for limited parallel scalability. Plane-wave related operations can be made sufficiently scalable. Improving parallel linear-algebra performance is an essential step to reaching longer timescales in future large-scale molecular dynamics calculations

  13. Growing Crystals on the Ceiling.

    Science.gov (United States)

    Christman, Robert A.

    1980-01-01

    Described is a method of studying growing crystals in a classroom utilizing a carrousel projector standing vertically. A saturated salt solution is placed on a slide on the lens of the projector and the heat from the projector causes the water to evaporate and salt to crystalize. (Author/DS)

  14. WEBSLIDE: A "Virtual" Slide Projector Based on World Wide Web

    Science.gov (United States)

    Barra, Maria; Ferrandino, Salvatore; Scarano, Vittorio

    1999-03-01

    We present here the design key concepts of WEBSLIDE, a software project whose objective is to provide a simple, cheap and efficient solution for showing slides during lessons in computer labs. In fact, WEBSLIDE allows the video monitors of several client machines (the "STUDENTS") to be synchronously updated by the actions of a particular client machine, called the "INSTRUCTOR." The system is based on the World Wide Web and the software components of WEBSLIDE mainly consists in a WWW server, browsers and small Cgi-Bill scripts. What makes WEBSLIDE particularly appealing for small educational institutions is that WEBSLIDE is built with "off the shelf" products: it does not involve using a specifically designed program but any Netscape browser, one of the most popular browsers available on the market, is sufficient. Another possible use is to use our system to implement "guided automatic tours" through several pages or Intranets internal news bulletins: the company Web server can broadcast to all employees relevant information on their browser.

  15. The APL-UW Multiport Acoustic Projector System

    Science.gov (United States)

    2009-12-01

    System fully assembled on the deck of the M/V SeaHorse , 2009 Lake Washington test. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 36 37 Deck...Deployment from the M/V SeaHorse , 2009 Lake Washington test. . . . . . 38 39 Block diagram of the entire system...V SeaHorse , 2009 Lake Washing- ton test. 36 TR 0902 UNIVERSITY OF WASHINGTON • APPLIED PHYSICS LABORATORY Figure 37: Deck preparations, 2009 Lake

  16. Deployable Acoustic Projector System (DAPS) Energy Source Study

    Science.gov (United States)

    1988-12-01

    vessels, sold polymer electrolyte membrane, nitrogen ref erence pressre and~ig over hydrogan presure ocaro.€0 e ceeat.. The motivation for pirsuin the SPH...FiSa Zm esport * o m sCLOM Confract No. )162190-85-*-M-e Ch zical rectant storage mmm miat be rearged by rep o o the cbemicaj oisters in the system

  17. A Lagrange-type projector on the real line

    Science.gov (United States)

    Mastroianni, G.; Notarangelo, I.

    2010-01-01

    We introduce an interpolation process based on some of the zeros of the m th generalized Freud polynomial. Convergence results and error estimates are given. In particular we show that, in some important function spaces, the interpolating polynomial behaves like the best approximation. Moreover the stability and the convergence of some quadrature rules are proved.

  18. Advancements in the Micromirror Array Projector Technology II

    National Research Council Canada - National Science Library

    Beasley, D. B; Bender, Matt; Crosby, Jay; McCall, Sean; Messer, Tim; Saylor, Daniel A

    2005-01-01

    ...) for Hardware-In-the-Loop (HWIL) simulation and sensor test applications. Since the introduction of the first MAPS in 2001, OSC has continued to improve the technology and develop systems for new projection and test applications...

  19. Orthogonal Projector Kit (OPK) as a new teaching aids with ...

    African Journals Online (AJOL)

    ... as a new teaching aids with innovation ICT in teaching and learning 21 st century. ... Mathematics education filled with abstract concepts, the use of teaching aids is ... This article aims to introduce and express the importance of Orthogonal ...

  20. Local blur analysis and phase error correction method for fringe projection profilometry systems.

    Science.gov (United States)

    Rao, Li; Da, Feipeng

    2018-05-20

    We introduce a flexible error correction method for fringe projection profilometry (FPP) systems in the presence of local blur phenomenon. Local blur caused by global light transport such as camera defocus, projector defocus, and subsurface scattering will cause significant systematic errors in FPP systems. Previous methods, which adopt high-frequency patterns to separate the direct and global components, fail when the global light phenomenon occurs locally. In this paper, the influence of local blur on phase quality is thoroughly analyzed, and a concise error correction method is proposed to compensate the phase errors. For defocus phenomenon, this method can be directly applied. With the aid of spatially varying point spread functions and local frontal plane assumption, experiments show that the proposed method can effectively alleviate the system errors and improve the final reconstruction accuracy in various scenes. For a subsurface scattering scenario, if the translucent object is dominated by multiple scattering, the proposed method can also be applied to correct systematic errors once the bidirectional scattering-surface reflectance distribution function of the object material is measured.

  1. Splitting method for the combined formulation of fluid-particle problem

    International Nuclear Information System (INIS)

    Choi, Hyung Gwon; Yoo, Jung Yul; Joseph, D. D.

    2000-01-01

    A splitting method for the direct numerical simulation of solid-liquid mixtures is presented, where a symmetric pressure equation is newly proposed. Through numerical experiment, it is found that the newly proposed splitting method works well with a matrix-free formulation for some bench mark problems avoiding an erroneous pressure field which appears when using the conventional pressure equation of a splitting method. When deriving a typical pressure equation of a splitting method, the motion of a solid particle has to be approximated by the 'intermediate velocity' instead of treating it as unknowns since it is necessary as a boundary condition. Therefore, the motion of a solid particle is treated in such an explicit way that a particle moves by the known form drag(pressure drag) that is calculated from the pressure equation in the previous step. From the numerical experiment, it was shown that this method gives an erroneous pressure field even for the very small time step size as a particle velocity increases. In this paper, coupling the unknowns of particle velocities in the pressure equation is proposed, where the resulting matrix is reduced to the symmetric one by applying the projector of the combined formulation. It has been tested over some bench mark problems and gives reasonable pressure fields

  2. Computational research on lithium ion battery materials

    Science.gov (United States)

    Tang, Ping

    Crystals of LiFePO4 and related materials have recently received a lot of attention due to their very promising use as cathodes in rechargeable lithium ion batteries. This thesis studied the electronic structures of FePO 4 and LiMPO4, where M=Mn, Fe, Co and Ni within the framework of density-functional theory. The first study compared the electronic structures of the LiMPO 4 and FePO4 materials in their electrochemically active olivine form, using the LAPW (linear augmented plane wave) method [1]. A comparison of results for various spin configurations suggested that the ferromagnetic configuration can serve as a useful approximation for studying general features of these systems. The partial densities of states for the LiMPO4 materials are remarkably similar to each other, showing the transition metal 3d states forming narrow bands above the O 2p band. By contrast, in absence of Li, the majority spin transition metal 3d states are well-hybridized with the O 2p band in FePO4. The second study compared the electronic structures of FePO4 in several crystal structures including an olivine, monoclinic, quartz-like, and CrVO4-like form [2,3]. For this work, in addition to the LAPW method, PAW (Projector Augmented Wave) [4], and PWscf (plane-wave pseudopotential) [5] methods were used. By carefully adjusting the computational parameters, very similar results were achieved for the three independent computational methods. Results for the relative stability of the four crystal structures are reported. In addition, partial densities of state analyses show qualitative information about the crystal field splittings and bond hybridizations and help rationalize the understanding of the electrochemical and stability properties of these materials.

  3. A portable low-cost 3D point cloud acquiring method based on structure light

    Science.gov (United States)

    Gui, Li; Zheng, Shunyi; Huang, Xia; Zhao, Like; Ma, Hao; Ge, Chao; Tang, Qiuxia

    2018-03-01

    A fast and low-cost method of acquiring 3D point cloud data is proposed in this paper, which can solve the problems of lack of texture information and low efficiency of acquiring point cloud data with only one pair of cheap cameras and projector. Firstly, we put forward a scene adaptive design method of random encoding pattern, that is, a coding pattern is projected onto the target surface in order to form texture information, which is favorable for image matching. Subsequently, we design an efficient dense matching algorithm that fits the projected texture. After the optimization of global algorithm and multi-kernel parallel development with the fusion of hardware and software, a fast acquisition system of point-cloud data is accomplished. Through the evaluation of point cloud accuracy, the results show that point cloud acquired by the method proposed in this paper has higher precision. What`s more, the scanning speed meets the demand of dynamic occasion and has better practical application value.

  4. High pressure phase transition in Zr–Ni binary system: A first principle study

    Energy Technology Data Exchange (ETDEWEB)

    Mukherjee, Debojyoti, E-mail: debojyoti@barc.gov.in; Sahoo, B.D.; Joshi, K.D.; Gupta, Satish C.

    2015-11-05

    Total energy calculations have been performed on zirconium–nickel (with 50% nickel by atom) binary system to examine its structural stability under high pressure. The evolutionary structure search method in conjunction with density functional theory based projector augmented wave (PAW) method suggested that at zero pressure an orthorhombic phase with space group symmetry Cmcm is the lowest enthalpy structure, in agreement with the experiments. Further, it has been predicted that upon compression at ∼10 GPa, this structure will transform to a lower symmetry triclinic phase (space group P-1) which will remain stable up to ∼50 GPa, the maximum pressure of the present calculations. To support the results of our static lattice calculations, we performed lattice dynamic calculations also on Cmcm and P-1 structures. Lattice dynamic calculations correctly showed that at ambient condition the Cmcm phase is dynamically stable. Further, these calculations carried around the Cmcm to P-1 transition pressure predicted that the Cmcm phase will become unstable dynamically due to failure of acoustic zone boundary phonons, suggesting that the Cmcm to P-1 transition is phonon driven. For P-1 phase our calculations showed that this structure is dynamically stable not only at high pressures but also at ambient condition, indicating that at pressure lower than 10 GPa this phase could be a metastable structure. Further, we have calculated the elastic constants for both the phase at various pressures. - Highlights: • Pressure induced phonon driven orthorhombic to triclinic phase transformations in Zr–Ni binary system at ∼10 GPa. • Elastic and lattice dynamic stability of orthorhombic and triclinic phase. • Exploitation of evolutionary structure searching method to explore high pressure phase of Zr–Ni material.

  5. A first-principles study of Pt–Ni bimetallic cluster adsorption on the anatase TiO{sub 2} (1 0 1) surface: Probing electron effect of Ni in TiO{sub 2} (1 0 1)-bimetallic cluster (Pt–Ni) on the adsorption and dissociation of methanol

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Feila, E-mail: liufeila@u.washington.edu [College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044 (China); Department of Materials Science and Engineering, University of Washington, Seattle, WA 98195 (United States); Xiao, Peng, E-mail: xiaopeng@cqu.edu.cn [College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044 (China); Uchaker, Evan, E-mail: uchaker@u.washington.edu [Department of Materials Science and Engineering, University of Washington, Seattle, WA 98195 (United States); He, Huichao, E-mail: hehuichao985@gmail.com [College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044 (China); Zhou, Ming, E-mail: Zhoumingcqu2007@163.com [College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044 (China); Zhou, Xin, E-mail: zhoux@hit.edu.cn [State Key Laboratory of Urban Water Resource and Environment, Institute of Theoretical and Simulation Chemistry, Academy of Fundamental and Interdisciplinary Sciences, Harbin Institute of Technology, Harbin 150080 (China); Zhang, Yunhuai, E-mail: xp2031@163.com [College of Chemistry and Chemical Engineering, Chongqing University, Chongqing 400044 (China)

    2014-10-01

    Graphical abstract: - Highlights: • Condensed Fukui function is used to predict the regioselectivity of clusters. • Pt–Ni alloy and TiO{sub 2} can effectively oxidize methanol compared with pure Pt. • The methanol dehydrogenation over Pt{sub 3}Ni/TiO{sub 2} is an optimal reaction pathway. • The alloying of Ni can effectively alleviate CO poisoning. - Abstract: A density functional theory (DFT) based method in conjunction with the projector augmented wave and pseudopotential methods have been applied to investigate the adsorption of Pt{sub 4} and Pt{sub 3}Ni on the anatase TiO{sub 2} (1 0 1) surface. Two stable Pt{sub 3}Ni adsorptions with considerable adsorption energies on the anatase TiO{sub 2} (1 0 1) surface were identified. Analysis of the partial density (PDOS) of states and Bader charge suggest that the electronic structure of Pt is modified by Ni due to the electron transfer from Ni to Pt atoms in the Pt{sub 3}Ni clusters. The 2cO (3cO)-PtNi-5cTi conformation of the adsorbed Pt{sub 3}Ni on the anatase TiO{sub 2} (1 0 1) surface provides a more feasible model for electron injection through the Pt{sub 3}Ni/TiO{sub 2} interface. The reactivity of Pt{sub 3}Ni/TiO{sub 2} is superior to Pt{sub 4}/TiO{sub 2} and effectively manifests itself in the eased decomposition of O-H bonds derived by methanol and alleviative CO adsorption.

  6. Theoretical study of B3-to-B1 phase transition in ZnS

    International Nuclear Information System (INIS)

    Li, Qiang; Zhang, Rui; Lv, Tianquan; Cao, Qilong

    2016-01-01

    The pressure-induced phase transformation from B3 to B1 structures in ZnS using first-principle projector-augmented wave method is studied. To understand the nature and driving force behind the transition, the interesting properties in both phases, including enthalpy, phonon dispersion curves and elastic constants, are systematically investigated. The results show that the calculated transition pressure is within the range of 16.33 GPa to 19.04 GPa, which is in good agreement with the available experimental and theoretical data. The transition process can be viewed as the appearance and disappearance of very slight lattice distortion accompanied by the movement of Zn and S atoms along the [111] crystallographic axis. The physical driving force of the B3–B1 phase transition is confirmed to be a coupling effect between the mechanical instability of B3 phase under pressure and the softening acoustic phonon mode resulting from the pressure-induced lattice deformation. For B1 phase, it is further predicted that a new phase transition takes place at about 59.9 GPa. - Highlights: • The phase transformation from B3 to B1 structures in ZnS is studied using first-principle method. • The predicted transition pressure is within the range of 16.33 to 19.04 GPa. • The transition process can be viewed as the appearance and disappearance of very slight lattice distortion. • Physical driving force of the transition is a coupling effect between the mechanical instability and softening phonon. • For B1 phase, it is further predicted that a new phase transition takes place at about 59.9 GPa.

  7. Method of surface error visualization using laser 3D projection technology

    Science.gov (United States)

    Guo, Lili; Li, Lijuan; Lin, Xuezhu

    2017-10-01

    In the process of manufacturing large components, such as aerospace, automobile and shipping industry, some important mold or stamped metal plate requires precise forming on the surface, which usually needs to be verified, if necessary, the surface needs to be corrected and reprocessed. In order to make the correction of the machined surface more convenient, this paper proposes a method based on Laser 3D projection system, this method uses the contour form of terrain contour, directly showing the deviation between the actually measured data and the theoretical mathematical model (CAD) on the measured surface. First, measure the machined surface to get the point cloud data and the formation of triangular mesh; secondly, through coordinate transformation, unify the point cloud data to the theoretical model and calculate the three-dimensional deviation, according to the sign (positive or negative) and size of the deviation, use the color deviation band to denote the deviation of three-dimensional; then, use three-dimensional contour lines to draw and represent every coordinates deviation band, creating the projection files; finally, import the projection files into the laser projector, and make the contour line projected to the processed file with 1:1 in the form of a laser beam, compare the Full-color 3D deviation map with the projection graph, then, locate and make quantitative correction to meet the processing precision requirements. It can display the trend of the machined surface deviation clearly.

  8. A computational study on the energetics and mechanisms for the dissociative adsorption of SiHx(x = 1-4) on W(1 1 1) surface

    Science.gov (United States)

    Lin, Y. H.; Raghunath, P.; Lin, M. C.

    2016-01-01

    The adsorption and dissociation mechanisms of SiHx(x = 1-4) species on W(1 1 1) surface have been investigated by using the periodic density functional theory with the projector-augmented wave approach. The adsorption of all the species on four surface sites: top (T), bridge (B), shallow (S), and deep (D) sites have been analyzed. For SiH4 on a top site, T-SiH4(a), it is more stable with an adsorption energy of 2.6 kcal/mol. For SiH3, the 3-fold shallow site is most favorable with adsorption energy of 46.0 kcal/mol. For SiH2, its adsorption on a bridge site is most stable with 73.0 kcal/mol binding energy, whereas for SiH and Si the most stable adsorption configurations are on 3-fold deep sites with very high adsorption energies, 111.8 and 134.7 kcal/mol, respectively. The potential energy surfaces for the dissociative adsorption of all SiHx species on the W(1 1 1) surface have been constructed using the CINEB method. The barriers for H-atom migration from SiHx(a) to its neighboring W atoms, preferentially on B-sites, were predicted to be 0.4, 1.0, 4.5 and, 8.0 kcal/mol, respectively, for x = 4, 3, 2, and 1, respectively. The adsorption energy of the H atom on a bridge site on the clean W(1 1 1) surface was predicted to be 65.9 kcal/mol, which was found to be slightly affected by the co-adsorption of SiHx-1 within ± 1 kcal/mol.

  9. Efficient implementation of core-excitation Bethe-Salpeter equation calculations

    Science.gov (United States)

    Gilmore, K.; Vinson, John; Shirley, E. L.; Prendergast, D.; Pemmaraju, C. D.; Kas, J. J.; Vila, F. D.; Rehr, J. J.

    2015-12-01

    We present an efficient implementation of the Bethe-Salpeter equation (BSE) method for obtaining core-level spectra including X-ray absorption (XAS), X-ray emission (XES), and both resonant and non-resonant inelastic X-ray scattering spectra (N/RIXS). Calculations are based on density functional theory (DFT) electronic structures generated either by ABINIT or QuantumESPRESSO, both plane-wave basis, pseudopotential codes. This electronic structure is improved through the inclusion of a GW self energy. The projector augmented wave technique is used to evaluate transition matrix elements between core-level and band states. Final two-particle scattering states are obtained with the NIST core-level BSE solver (NBSE). We have previously reported this implementation, which we refer to as OCEAN (Obtaining Core Excitations from Ab initio electronic structure and NBSE) (Vinson et al., 2011). Here, we present additional efficiencies that enable us to evaluate spectra for systems ten times larger than previously possible; containing up to a few thousand electrons. These improvements include the implementation of optimal basis functions that reduce the cost of the initial DFT calculations, more complete parallelization of the screening calculation and of the action of the BSE Hamiltonian, and various memory reductions. Scaling is demonstrated on supercells of SrTiO3 and example spectra for the organic light emitting molecule Tris-(8-hydroxyquinoline)aluminum (Alq3) are presented. The ability to perform large-scale spectral calculations is particularly advantageous for investigating dilute or non-periodic systems such as doped materials, amorphous systems, or complex nano-structures.

  10. Lattice dynamics, elasticity and magnetic abnormality in ordered crystalline alloys Fe3Pt at high pressures

    Science.gov (United States)

    Cheng, Tai-min; Yu, Guo-Liang; Su, Yong; Ge, Chong-Yuan; Zhang, Xin-Xin; Zhu, Lin; Li, Lin

    2018-05-01

    The ordered crystalline Invar alloy Fe3Pt is in a special magnetic critical state, under which the lattice dynamic stability of the system is extremely sensitive to external pressures. We studied the pressure dependence of enthalpy and magnetism of Fe3Pt in different crystalline alloys by using the first-principles projector augmented-wave method based on the density functional theory. Results show that the P4/mbm structure is the ground state structure and is more stable relative to other structures at pressures below 18.54 GPa. The total magnetic moments of L12, I4/mmm and DO22 structures decrease rapidly with pressure and oscillate near the ferromagnetic collapse critical pressure. At the pressure of 43 GPa, the ferrimagnetic property in DO22 structure becomes apparently strengthened and its volume increases rapidly. The lattice dynamics calculation for L12 structures at high pressures shows that the spontaneous magnetization of the system in ferromagnetic states induces the softening of the transverse acoustic phonon TA1 (M), and there exists a strong spontaneous volume magnetostriction at pressures below 26.95 GPa. Especially, the lattice dynamics stability is sensitive to pressure, in the pressure range between the ferromagnetic collapse critical pressure (41.9 GPa) and the magnetism completely disappearing pressure (57.25 GPa), and near the pressure of phase transition from L12 to P4/mbm structure (27.27 GPa). Moreover, the instability of magnetic structure leads to a prominent elastic modulus oscillation, and the spin polarizability of electrons near the Fermi level is very sensitive to pressures in that the pressure range. The pressure induces the stability of the phonon spectra of the system at pressures above 57.25 GPa.

  11. Adsorption of oxygen on low-index surfaces of the TiAl{sub 3} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Latyshev, A. M.; Bakulin, A. V.; Kulkova, S. E., E-mail: kulkova@ms.tsc.ru [National Research Tomsk State University (Russian Federation); Hu, Q. M.; Yang, R. [Chinese Academy of Sciences, Shenyang National Laboratory for Materials Science, Institute of Metal Research (China)

    2016-12-15

    Method of the projector augmented waves in the plane-wave basis within the generalized-gradient approximation for the exchange-correlation functional has been used to study oxygen adsorption on (001), (100), and (110) low-index surfaces of the TiAl{sub 3} alloy. It has been established that the sites that are most energetically preferred for the adsorption of oxygen are hollow (H) positions on the (001) surface and bridge (B) positions on the (110) and (100) surfaces. Structural and electronic factors that define their energy preference have been discussed. Changes in the atomic and electronic structure of subsurface layers that occur as the oxygen concentration increases to three monolayers have been analyzed. It has been shown that the formation of chemical bonds of oxygen with both components of the alloy leads to the appearance of states that are split-off from the bottoms of their valence bands, which is accompanied by the formation of a forbidden gap at the Fermi level and by a weakening of the Ti–Al metallic bonds in the alloy. On the Al-terminated (001) and (110) surfaces, the oxidation of aluminum dominates over that of titanium. On the whole, the binding energy of oxygen on the low-index surfaces with a mixed termination is higher than that at the aluminum-terminated surface. The calculation of the diffusion of oxygen in the TiAl{sub 3} alloy has shown that the lowest barriers correspond to the diffusion between tetrahedral positions in the (001) plane; the diffusion of oxygen in the [001] direction occurs through octahedral and tetrahedral positions. An increase in the concentration of aluminum in the alloy favors a reduction in the height of the energy barriers as compared to the corresponding barriers in the γ-TiAl alloy.

  12. Probing ionization potential, electron affinity and self-energy effect on the spectral shape and exciton binding energy of quantum liquid water with self-consistent many-body perturbation theory and the Bethe–Salpeter equation

    Science.gov (United States)

    Ziaei, Vafa; Bredow, Thomas

    2018-05-01

    An accurate theoretical prediction of ionization potential (IP) and electron affinity (EA) is key in understanding complex photochemical processes in aqueous environments. There have been numerous efforts in literature to accurately predict IP and EA of liquid water, however with often conflicting results depending on the level of theory and the underlying water structures. In a recent study based on hybrid-non-self-consistent many-body perturbation theory (MBPT) Gaiduk et al (2018 Nat. Commun. 9 247) predicted an IP of 10.2 eV and EA of 0.2 eV, resulting in an electronic band gap (i.e. electronic gap (IP-EA) as measured by photoelectron spectroscopy) of about 10 eV, redefining the widely cited experimental gap of 8.7 eV in literature. In the present work, we show that GW self-consistency and an implicit vertex correction in MBPT considerably affect recently reported EA values by Gaiduk et al (2018 Nat. Commun. 9 247) by about 1 eV. Furthermore, the choice of pseudo-potential is critical for an accurate determination of the absolute band positions. Consequently, the self-consistent GW approach with an implicit vertex correction based on projector augmented wave (PAW) method on top of quantum water structures predicts an IP of 10.2, an EA of 1.1, a fundamental gap of 9.1 eV and an exciton binding (Eb) energy of 0.9 eV for the first absorption band of liquid water via the Bethe–Salpeter equation (BSE). Only within such a self-consistent approach a simultanously accurate prediction of IP, EA, Eg, Eb is possible.

  13. Beamspace dual signal space projection (bDSSP): a method for selective detection of deep sources in MEG measurements

    Science.gov (United States)

    Sekihara, Kensuke; Adachi, Yoshiaki; Kubota, Hiroshi K.; Cai, Chang; Nagarajan, Srikantan S.

    2018-06-01

    Objective. Magnetoencephalography (MEG) has a well-recognized weakness at detecting deeper brain activities. This paper proposes a novel algorithm for selective detection of deep sources by suppressing interference signals from superficial sources in MEG measurements. Approach. The proposed algorithm combines the beamspace preprocessing method with the dual signal space projection (DSSP) interference suppression method. A prerequisite of the proposed algorithm is prior knowledge of the location of the deep sources. The proposed algorithm first derives the basis vectors that span a local region just covering the locations of the deep sources. It then estimates the time-domain signal subspace of the superficial sources by using the projector composed of these basis vectors. Signals from the deep sources are extracted by projecting the row space of the data matrix onto the direction orthogonal to the signal subspace of the superficial sources. Main results. Compared with the previously proposed beamspace signal space separation (SSS) method, the proposed algorithm is capable of suppressing much stronger interference from superficial sources. This capability is demonstrated in our computer simulation as well as experiments using phantom data. Significance. The proposed bDSSP algorithm can be a powerful tool in studies of physiological functions of midbrain and deep brain structures.

  14. Perturbation methods

    CERN Document Server

    Nayfeh, Ali H

    2008-01-01

    1. Introduction 1 2. Straightforward Expansions and Sources of Nonuniformity 23 3. The Method of Strained Coordinates 56 4. The Methods of Matched and Composite Asymptotic Expansions 110 5. Variation of Parameters and Methods of Averaging 159 6. The Method of Multiple Scales 228 7. Asymptotic Solutions of Linear Equations 308 References and Author Index 387 Subject Index 417

  15. Distillation methods

    International Nuclear Information System (INIS)

    Konecny, C.

    1975-01-01

    Two main methods of separation using the distillation method are given and evaluated, namely evaporation and distillation in carrier gas flow. Two basic apparatus are described for illustrating the methods used. The use of the distillation method in radiochemistry is documented by a number of examples of the separation of elements in elemental state, volatile halogenides and oxides. Tables give a survey of distillation methods used for the separation of the individual elements and give conditions under which this separation takes place. The suitability of the use of distillation methods in radiochemistry is discussed with regard to other separation methods. (L.K.)

  16. Linear-scaling explicitly correlated treatment of solids: Periodic local MP2-F12 method

    Energy Technology Data Exchange (ETDEWEB)

    Usvyat, Denis, E-mail: denis.usvyat@chemie.uni-regensburg.de [Institute of Physical and Theoretical Chemistry, University of Regensburg, Universitätsstraße 31, D-93040 Regensburg (Germany)

    2013-11-21

    Theory and implementation of the periodic local MP2-F12 method in the 3*A fixed-amplitude ansatz is presented. The method is formulated in the direct space, employing local representation for the occupied, virtual, and auxiliary orbitals in the form of Wannier functions (WFs), projected atomic orbitals (PAOs), and atom-centered Gaussian-type orbitals, respectively. Local approximations are introduced, restricting the list of the explicitly correlated pairs, as well as occupied, virtual, and auxiliary spaces in the strong orthogonality projector to the pair-specific domains on the basis of spatial proximity of respective orbitals. The 4-index two-electron integrals appearing in the formalism are approximated via the direct-space density fitting technique. In this procedure, the fitting orbital spaces are also restricted to local fit-domains surrounding the fitted densities. The formulation of the method and its implementation exploits the translational symmetry and the site-group symmetries of the WFs. Test calculations are performed on LiH crystal. The results show that the periodic LMP2-F12 method substantially accelerates basis set convergence of the total correlation energy, and even more so the correlation energy differences. The resulting energies are quite insensitive to the resolution-of-the-identity domain sizes and the quality of the auxiliary basis sets. The convergence with the orbital domain size is somewhat slower, but still acceptable. Moreover, inclusion of slightly more diffuse functions, than those usually used in the periodic calculations, improves the convergence of the LMP2-F12 correlation energy with respect to both the size of the PAO-domains and the quality of the orbital basis set. At the same time, the essentially diffuse atomic orbitals from standard molecular basis sets, commonly utilized in molecular MP2-F12 calculations, but problematic in the periodic context, are not necessary for LMP2-F12 treatment of crystals.

  17. SU-F-J-39: Dose Reduction Strategy Using Attenuation-Based Tube Current Modulation Method in CBCT for IGRT

    Energy Technology Data Exchange (ETDEWEB)

    Son, K; Lee, H; Kim, C; Cho, S [KAIST, Daejeon (Korea, Republic of); Kim, J [Yonsei Cancer Center, Seoul (Korea, Republic of)

    2016-06-15

    Purpose: To reduce radiation dose to the patients, tube current modulation (TCM) method has been actively used in diagnostic CT systems. However, TCM method has not yet been applied to a kV-CBCT system on a LINAC machine. The purpose of this study is to investigate whether the use of TCM method is desirable in kV-CBCT system for IGRT. We have developed an attenuation-based tube current modulation (a-TCM) method using the prior knowledge of treatment CT image of a patient. Methods: Patients go through a diagnostic CT scan for RT planning; therefore, using this prior information of CT images, one can estimate the total attenuation of an x-ray through the patient body in a CBCT setting for radiation therapy. We performed a numerical study incorporating major factors into account such as polychromatic x-ray, scatter, noise, and bow-tie filter to demonstrate that a-TCM method can produce equivalent quality of images at reduced imaging radiation doses. Using the CT projector program, 680 projection images of the pediatric XCAT phantom were obtained both in conventional scanning condition, i.e., without modulating the tube current, and in the proposed a-TCM scanning condition. FDK reconstruction algorithm was used for image reconstruction, and the organ dose due to imaging radiation has been calculated in both cases and compared using GATE/Geant4 simulation toolkit. Results: Reconstructed CT images in the a-TCM method showed similar SSIM values and noise properties to the reference images acquired by the conventional CBCT. In addition, reduction of organ doses ranged from 12% to 27%. Conclusion: We have successfully demonstrated the feasibility and dosimetric merit of the a-TCM method for kV-CBCT, and envision that it can be a useful option of CBCT scanning that provides patient dose reduction without degrading image quality.

  18. galerkin's methods

    African Journals Online (AJOL)

    user

    The assumed deflection shapes used in the approximate methods such as in the Galerkin's method were normally ... to direct compressive forces Nx, was derived by Navier. [3]. ..... tend to give higher frequency and stiffness, as well as.

  19. Students' Perception and Attitude on Methods of Anatomy Teaching in a Medical College of West Bengal, India.

    Science.gov (United States)

    Bandyopadhyay, Raktim; Biswas, Romy

    2017-09-01

    Incorporating newer teaching aids over traditional one in Anatomy has been challenging both for the teachers and the learners. Different educational strategies are being used for teaching of Anatomy. To elicit the perception and attitude toward teaching approaches in the Anatomy curriculum among first year medical students. A cross-sectional, descriptive study was undertaken with the help of predesigned, pre-tested questionnaire to elicit knowledge in four domains of classroom teaching which were: a) gross anatomical structure; b) organ identification; c) topography; and d) radiological anatomy and self-assessment of acquired skills in respective fields among 114 first year students. A total of 57% of students opined good in gross structure of anatomy. A 60.5% of students preferred chalk and board method and 33.3% with LCD projector. Regarding acquiring knowledge, 72.8% of medical students gathered knowledge in gross anatomical structure domain whereas 58.8% in radiological anatomy. The overall mean score of attitude of the students regarding incorporating newer techniques in Anatomy teaching is 14.17±2.26. The perception of Anatomy teaching and attitude among medicos have been studied and opinion from them had thrown light for incorporation of newer techniques in their teaching curriculum.

  20. Evaluation of a 3D point cloud tetrahedral tomographic reconstruction method

    Energy Technology Data Exchange (ETDEWEB)

    Pereira, N F; Sitek, A, E-mail: nfp4@bwh.harvard.ed, E-mail: asitek@bwh.harvard.ed [Department of Radiology, Brigham and Women' s Hospital-Harvard Medical School Boston, MA (United States)

    2010-09-21

    Tomographic reconstruction on an irregular grid may be superior to reconstruction on a regular grid. This is achieved through an appropriate choice of the image space model, the selection of an optimal set of points and the use of any available prior information during the reconstruction process. Accordingly, a number of reconstruction-related parameters must be optimized for best performance. In this work, a 3D point cloud tetrahedral mesh reconstruction method is evaluated for quantitative tasks. A linear image model is employed to obtain the reconstruction system matrix and five point generation strategies are studied. The evaluation is performed using the recovery coefficient, as well as voxel- and template-based estimates of bias and variance measures, computed over specific regions in the reconstructed image. A similar analysis is performed for regular grid reconstructions that use voxel basis functions. The maximum likelihood expectation maximization reconstruction algorithm is used. For the tetrahedral reconstructions, of the five point generation methods that are evaluated, three use image priors. For evaluation purposes, an object consisting of overlapping spheres with varying activity is simulated. The exact parallel projection data of this object are obtained analytically using a parallel projector, and multiple Poisson noise realizations of these exact data are generated and reconstructed using the different point generation strategies. The unconstrained nature of point placement in some of the irregular mesh-based reconstruction strategies has superior activity recovery for small, low-contrast image regions. The results show that, with an appropriately generated set of mesh points, the irregular grid reconstruction methods can out-perform reconstructions on a regular grid for mathematical phantoms, in terms of the performance measures evaluated.

  1. Evaluation of a 3D point cloud tetrahedral tomographic reconstruction method

    Science.gov (United States)

    Pereira, N. F.; Sitek, A.

    2010-09-01

    Tomographic reconstruction on an irregular grid may be superior to reconstruction on a regular grid. This is achieved through an appropriate choice of the image space model, the selection of an optimal set of points and the use of any available prior information during the reconstruction process. Accordingly, a number of reconstruction-related parameters must be optimized for best performance. In this work, a 3D point cloud tetrahedral mesh reconstruction method is evaluated for quantitative tasks. A linear image model is employed to obtain the reconstruction system matrix and five point generation strategies are studied. The evaluation is performed using the recovery coefficient, as well as voxel- and template-based estimates of bias and variance measures, computed over specific regions in the reconstructed image. A similar analysis is performed for regular grid reconstructions that use voxel basis functions. The maximum likelihood expectation maximization reconstruction algorithm is used. For the tetrahedral reconstructions, of the five point generation methods that are evaluated, three use image priors. For evaluation purposes, an object consisting of overlapping spheres with varying activity is simulated. The exact parallel projection data of this object are obtained analytically using a parallel projector, and multiple Poisson noise realizations of these exact data are generated and reconstructed using the different point generation strategies. The unconstrained nature of point placement in some of the irregular mesh-based reconstruction strategies has superior activity recovery for small, low-contrast image regions. The results show that, with an appropriately generated set of mesh points, the irregular grid reconstruction methods can out-perform reconstructions on a regular grid for mathematical phantoms, in terms of the performance measures evaluated.

  2. Evaluation of a 3D point cloud tetrahedral tomographic reconstruction method

    International Nuclear Information System (INIS)

    Pereira, N F; Sitek, A

    2010-01-01

    Tomographic reconstruction on an irregular grid may be superior to reconstruction on a regular grid. This is achieved through an appropriate choice of the image space model, the selection of an optimal set of points and the use of any available prior information during the reconstruction process. Accordingly, a number of reconstruction-related parameters must be optimized for best performance. In this work, a 3D point cloud tetrahedral mesh reconstruction method is evaluated for quantitative tasks. A linear image model is employed to obtain the reconstruction system matrix and five point generation strategies are studied. The evaluation is performed using the recovery coefficient, as well as voxel- and template-based estimates of bias and variance measures, computed over specific regions in the reconstructed image. A similar analysis is performed for regular grid reconstructions that use voxel basis functions. The maximum likelihood expectation maximization reconstruction algorithm is used. For the tetrahedral reconstructions, of the five point generation methods that are evaluated, three use image priors. For evaluation purposes, an object consisting of overlapping spheres with varying activity is simulated. The exact parallel projection data of this object are obtained analytically using a parallel projector, and multiple Poisson noise realizations of these exact data are generated and reconstructed using the different point generation strategies. The unconstrained nature of point placement in some of the irregular mesh-based reconstruction strategies has superior activity recovery for small, low-contrast image regions. The results show that, with an appropriately generated set of mesh points, the irregular grid reconstruction methods can out-perform reconstructions on a regular grid for mathematical phantoms, in terms of the performance measures evaluated.

  3. Mining Method

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Young Shik; Lee, Kyung Woon; Kim, Oak Hwan; Kim, Dae Kyung [Korea Institute of Geology Mining and Materials, Taejon (Korea, Republic of)

    1996-12-01

    The reducing coal market has been enforcing the coal industry to make exceptional rationalization and restructuring efforts since the end of the eighties. To the competition from crude oil and natural gas has been added the growing pressure from rising wages and rising production cost as the workings get deeper. To improve the competitive position of the coal mines against oil and gas through cost reduction, studies to improve mining system have been carried out. To find fields requiring improvements most, the technologies using in Tae Bak Colliery which was selected one of long running mines were investigated and analyzed. The mining method appeared the field needing improvements most to reduce the production cost. The present method, so-called inseam roadway caving method presently is using to extract the steep and thick seam. However, this method has several drawbacks. To solve the problems, two mining methods are suggested for a long term and short term method respectively. Inseam roadway caving method with long-hole blasting method is a variety of the present inseam roadway caving method modified by replacing timber sets with steel arch sets and the shovel loaders with chain conveyors. And long hole blasting is introduced to promote caving. And pillar caving method with chock supports method uses chock supports setting in the cross-cut from the hanging wall to the footwall. Two single chain conveyors are needed. One is installed in front of chock supports to clear coal from the cutting face. The other is installed behind the supports to transport caved coal from behind. This method is superior to the previous one in terms of safety from water-inrushes, production rate and productivity. The only drawback is that it needs more investment. (author). 14 tabs., 34 figs.

  4. Projection Methods

    DEFF Research Database (Denmark)

    Wagner, Falko Jens; Poulsen, Mikael Zebbelin

    1999-01-01

    When trying to solve a DAE problem of high index with more traditional methods, it often causes instability in some of the variables, and finally leads to breakdown of convergence and integration of the solution. This is nicely shown in [ESF98, p. 152 ff.].This chapter will introduce projection...... methods as a way of handling these special problems. It is assumed that we have methods for solving normal ODE systems and index-1 systems....

  5. Discipline methods

    OpenAIRE

    Maria Kikila; Ioannis Koutelekos

    2012-01-01

    Child discipline is one of the most important elements of successful parenting. As discipline is defined the process that help children to learn appropriate behaviors and make good choices. Aim: The aim of the present study was to review the literature about the discipline methods. The method οf this study included bibliography research from both the review and the research literature, mainly in the pubmed data base which referred to the discipline methods. Results: In the literature it is ci...

  6. Maintenance methods

    International Nuclear Information System (INIS)

    Sanchis, H.; Aucher, P.

    1990-01-01

    The maintenance method applied at the Hague is summarized. The method was developed in order to solve problems relating to: the different specialist fields, the need for homogeneity in the maintenance work, the equipment diversity, the increase of the materials used at the Hague's new facilities. The aim of the method is to create a knowhow formalism, to facilitate maintenance, to ensure the running of the operations and to improve the estimation of the maintenance cost. One of the method's difficulties is the demonstration of the profitability of the maintenance operations [fr

  7. A method for the real-time construction of a full parallax light field

    Science.gov (United States)

    Tanaka, Kenji; Aoki, Soko

    2006-02-01

    We designed and implemented a light field acquisition and reproduction system for dynamic objects called LiveDimension, which serves as a 3D live video system for multiple viewers. The acquisition unit consists of circularly arranged NTSC cameras surrounding an object. The display consists of circularly arranged projectors and a rotating screen. The projectors are constantly projecting images captured by the corresponding cameras onto the screen. The screen rotates around an in-plane vertical axis at a sufficient speed so that it faces each of the projectors in sequence. Since the Lambertian surfaces of the screens are covered by light-collimating plastic films with vertical louver patterns that are used for the selection of appropriate light rays, viewers can only observe images from a projector located in the same direction as the viewer. Thus, the dynamic view of an object is dependent on the viewer's head position. We evaluated the system by projecting both objects and human figures and confirmed that the entire system can reproduce light fields with a horizontal parallax to display video sequences of 430x770 pixels at a frame rate of 45 fps. Applications of this system include product design reviews, sales promotion, art exhibits, fashion shows, and sports training with form checking.

  8. Cubic scaling GW: Towards fast quasiparticle calculations

    Czech Academy of Sciences Publication Activity Database

    Liu, P.; Kaltak, M.; Klimeš, Jiří; Kresse, G.

    2016-01-01

    Roč. 94, č. 16 (2016), s. 165109 ISSN 2469-9950 Institutional support: RVO:61388955 Keywords : MEAN-FIELD THEORY * ELECTRONIC-STRUCTURE CALCULATIONS * AUGMENTED- WAVE METHOD Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.836, year: 2016

  9. Palladium clusters on graphene support: An ab initio study

    Czech Academy of Sciences Publication Activity Database

    Rubeš, M.; He, Junjie; Nachtigall, P.; Bludský, Ota

    2016-01-01

    Roč. 646, Feb 16 (2016), s. 56-63 ISSN 0009-2614 R&D Projects: GA ČR GBP106/12/G015 Institutional support: RVO:61388963 Keywords : transition metal atoms * augmented wave method * electronic states Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.815, year: 2016

  10. Mechanism of Oxygen Exchange between CO2 and TiO2(101) Anatase

    Czech Academy of Sciences Publication Activity Database

    Sorescu, D. C.; Civiš, Svatopluk; Jordan, K. D.

    2014-01-01

    Roč. 118, č. 3 (2014), s. 1628-1639 ISSN 1932-7447 Institutional support: RVO:61388955 Keywords : TOTAL-ENERGY CALCULATIONS * AUGMENTED-WAVE METHOD * PLUS U CALCULATIONS Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.772, year: 2014

  11. Lattice modes and the Jahn-Teller ferroelectric transition of GaV.sub.4./sub.S.sub.8./sub.

    Czech Academy of Sciences Publication Activity Database

    Hlinka, Jiří; Borodavka, Fedir; Rafalovskyi, Iegor; Dočekalová, Zuzana; Pokorný, Jan; Gregora, Ivan; Tsurkan, V.; Nakamura, H.; Mayr, F.; Kuntscher, C.A.; Loidl, A.; Bordács, S.; Szaller, D.; Lee, H.-J.; Lee, J.H.; Kézsmárki, I.

    2016-01-01

    Roč. 94, č. 6 (2016), 1-4, č. článku 060104. ISSN 2469-9950 R&D Projects: GA ČR GA13-15110S Institutional support: RVO:68378271 Keywords : augmented-wave method * crystals * phase Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.836, year: 2016

  12. Facet-controlled phase separation in supersaturated Au-Ni nanoparticles upon shape equilibration

    Czech Academy of Sciences Publication Activity Database

    Herz, A.; Friák, Martin; Rossberg, D.; Hentschel, M.; Theska, F.; Wang, D.; Holec, D.; Šob, Mojmír; Schneeweiss, Oldřich; Schaaf, P.

    2015-01-01

    Roč. 107, č. 7 (2015), art.n. 073109 ISSN 0003-6951 Institutional support: RVO:68081723 Keywords : GENERALIZED GRADIENT APPROXIMATION * NANOPOROUS GOLD NANOPARTICLES * AUGMENTED-WAVE METHOD * ELASTIC-CONSTANTS * BILAYER * NICKEL Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.142, year: 2015

  13. Synthesis of quinolines via Friedlander reaction catalyzed by CuBTC metal-organic-framework

    Czech Academy of Sciences Publication Activity Database

    Pérez-Mayoral, E.; Musilová, Zuzana; Gil, B.; Marszalek, B.; Položij, M.; Nachtigall, P.; Čejka, Jiří

    2012-01-01

    Roč. 41, č. 14 (2012), s. 4036-4044 ISSN 1477-9226 Institutional research plan: CEZ:AV0Z40400503 Keywords : EFFICIENT HETEROGENEOUS CATALYST * AUGMENTED-WAVE METHOD * SOLID ACID CATALYSTS Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.806, year: 2012

  14. Spectroscopic methods

    International Nuclear Information System (INIS)

    Ivanovich, M.; Murray, A.

    1992-01-01

    The principles involved in the interaction of nuclear radiation with matter are described, as are the principles behind methods of radiation detection. Different types of radiation detectors are described and methods of detection such as alpha, beta and gamma spectroscopy, neutron activation analysis are presented. Details are given of measurements of uranium-series disequilibria. (UK)

  15. Comparison of conventional, model-based quantitative planar, and quantitative SPECT image processing methods for organ activity estimation using In-111 agents

    International Nuclear Information System (INIS)

    He, Bin; Frey, Eric C

    2006-01-01

    Accurate quantification of organ radionuclide uptake is important for patient-specific dosimetry. The quantitative accuracy from conventional conjugate view methods is limited by overlap of projections from different organs and background activity, and attenuation and scatter. In this work, we propose and validate a quantitative planar (QPlanar) processing method based on maximum likelihood (ML) estimation of organ activities using 3D organ VOIs and a projector that models the image degrading effects. Both a physical phantom experiment and Monte Carlo simulation (MCS) studies were used to evaluate the new method. In these studies, the accuracies and precisions of organ activity estimates for the QPlanar method were compared with those from conventional planar (CPlanar) processing methods with various corrections for scatter, attenuation and organ overlap, and a quantitative SPECT (QSPECT) processing method. Experimental planar and SPECT projections and registered CT data from an RSD Torso phantom were obtained using a GE Millenium VH/Hawkeye system. The MCS data were obtained from the 3D NCAT phantom with organ activity distributions that modelled the uptake of 111 In ibritumomab tiuxetan. The simulations were performed using parameters appropriate for the same system used in the RSD torso phantom experiment. The organ activity estimates obtained from the CPlanar, QPlanar and QSPECT methods from both experiments were compared. From the results of the MCS experiment, even with ideal organ overlap correction and background subtraction, CPlanar methods provided limited quantitative accuracy. The QPlanar method with accurate modelling of the physical factors increased the quantitative accuracy at the cost of requiring estimates of the organ VOIs in 3D. The accuracy of QPlanar approached that of QSPECT, but required much less acquisition and computation time. Similar results were obtained from the physical phantom experiment. We conclude that the QPlanar method, based

  16. Method Mixins

    DEFF Research Database (Denmark)

    Ernst, Erik

    2002-01-01

    . Method mixins use shared name spaces to transfer information between caller and callee, as opposed to traditional invocation which uses parameters and returned results. This relieves a caller from dependencies on the callee, and it allows direct transfer of information further down the call stack, e......The procedure call mechanism has conquered the world of programming, with object-oriented method invocation being a procedure call in context of an object. This paper presents an alternative, method mixin invocations, that is optimized for flexible creation of composite behavior, where traditional...

  17. Method Mixins

    DEFF Research Database (Denmark)

    Ernst, Erik

    2002-01-01

    invocation is optimized for as-is reuse of existing behavior. Tight coupling reduces flexibility, and traditional invocation tightly couples transfer of information and transfer of control. Method mixins decouple these two kinds of transfer, thereby opening the doors for new kinds of abstraction and reuse......The procedure call mechanism has conquered the world of programming, with object-oriented method invocation being a procedure call in context of an object. This paper presents an alternative, method mixin invocations, that is optimized for flexible creation of composite behavior, where traditional....... Method mixins use shared name spaces to transfer information between caller and callee, as opposed to traditional invocation which uses parameters and returned results. This relieves a caller from dependencies on the callee, and it allows direct transfer of information further down the call stack, e...

  18. Dosimetry methods

    DEFF Research Database (Denmark)

    McLaughlin, W.L.; Miller, A.; Kovacs, A.

    2003-01-01

    Chemical and physical radiation dosimetry methods, used for the measurement of absorbed dose mainly during the practical use of ionizing radiation, are discussed with respect to their characteristics and fields of application....

  19. Method Mixins

    DEFF Research Database (Denmark)

    Ernst, Erik

    2005-01-01

    The world of programming has been conquered by the procedure call mechanism, including object-oriented method invocation which is a procedure call in context of an object. This paper presents an alternative, method mixin invocations, that is optimized for flexible creation of composite behavior, ...... the call stack, e.g., to a callee's callee. The mechanism has been implemented in the programming language gbeta. Variants of the mechanism could be added to almost any imperative programming language.......The world of programming has been conquered by the procedure call mechanism, including object-oriented method invocation which is a procedure call in context of an object. This paper presents an alternative, method mixin invocations, that is optimized for flexible creation of composite behavior...

  20. Pharmaceutical properties of two ethenzamide-gentisic acid cocrystal polymorphs: Drug release profiles, spectroscopic studies and theoretical calculations.

    Science.gov (United States)

    Sokal, Agnieszka; Pindelska, Edyta; Szeleszczuk, Lukasz; Kolodziejski, Waclaw

    2017-04-30

    The aim of this study was to evaluate the stability and solubility of the polymorphic forms of the ethenzamide (ET) - gentisic acid (GA) cocrystals during standard technological processes leading to tablet formation, such as compression and excipient addition. In this work two polymorphic forms of pharmaceutical cocrystals (ETGA) were characterized by 13 C and 15 N solid-state nuclear magnetic resonance and Fourier transformed infrared spectroscopy. Spectroscopic studies were supported by gauge including projector augmented wave (GIPAW) calculations of chemical shielding constants.Polymorphs of cocrystals were easily identified and characterized on the basis of solid-state spectroscopic studies. ETGA cocrystals behaviour during direct compressionand tabletting with excipient addition were tested. In order to choose the best tablet composition with suitable properties for the pharmaceutical industry dissolution profile studies of tablets containing polymorphic forms of cocrystals with selected excipients were carried out. Copyright © 2017. Published by Elsevier B.V.

  1. Advanced capabilities for materials modelling with Quantum ESPRESSO

    Science.gov (United States)

    Giannozzi, P.; Andreussi, O.; Brumme, T.; Bunau, O.; Buongiorno Nardelli, M.; Calandra, M.; Car, R.; Cavazzoni, C.; Ceresoli, D.; Cococcioni, M.; Colonna, N.; Carnimeo, I.; Dal Corso, A.; de Gironcoli, S.; Delugas, P.; DiStasio, R. A., Jr.; Ferretti, A.; Floris, A.; Fratesi, G.; Fugallo, G.; Gebauer, R.; Gerstmann, U.; Giustino, F.; Gorni, T.; Jia, J.; Kawamura, M.; Ko, H.-Y.; Kokalj, A.; Küçükbenli, E.; Lazzeri, M.; Marsili, M.; Marzari, N.; Mauri, F.; Nguyen, N. L.; Nguyen, H.-V.; Otero-de-la-Roza, A.; Paulatto, L.; Poncé, S.; Rocca, D.; Sabatini, R.; Santra, B.; Schlipf, M.; Seitsonen, A. P.; Smogunov, A.; Timrov, I.; Thonhauser, T.; Umari, P.; Vast, N.; Wu, X.; Baroni, S.

    2017-11-01

    Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. Quantum EXPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement their ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software.

  2. Advanced capabilities for materials modelling with Quantum ESPRESSO.

    Science.gov (United States)

    Andreussi, Oliviero; Brumme, Thomas; Bunau, Oana; Buongiorno Nardelli, Marco; Calandra, Matteo; Car, Roberto; Cavazzoni, Carlo; Ceresoli, Davide; Cococcioni, Matteo; Colonna, Nicola; Carnimeo, Ivan; Dal Corso, Andrea; de Gironcoli, Stefano; Delugas, Pietro; DiStasio, Robert; Ferretti, Andrea; Floris, Andrea; Fratesi, Guido; Fugallo, Giorgia; Gebauer, Ralph; Gerstmann, Uwe; Giustino, Feliciano; Gorni, Tommaso; Jia, Junteng; Kawamura, Mitsuaki; Ko, Hsin-Yu; Kokalj, Anton; Küçükbenli, Emine; Lazzeri, Michele; Marsili, Margherita; Marzari, Nicola; Mauri, Francesco; Nguyen, Ngoc Linh; Nguyen, Huy-Viet; Otero-de-la-Roza, Alberto; Paulatto, Lorenzo; Poncé, Samuel; Giannozzi, Paolo; Rocca, Dario; Sabatini, Riccardo; Santra, Biswajit; Schlipf, Martin; Seitsonen, Ari Paavo; Smogunov, Alexander; Timrov, Iurii; Thonhauser, Timo; Umari, Paolo; Vast, Nathalie; Wu, Xifan; Baroni, Stefano

    2017-09-27

    Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudo-potential and projector-augmented-wave approaches. Quantum ESPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingly broad array of hardware architectures, and to a community of researchers that rely on its capabilities as a core open-source development platform to implement theirs ideas. In this paper we describe recent extensions and improvements, covering new methodologies and property calculators, improved parallelization, code modularization, and extended interoperability both within the distribution and with external software. © 2017 IOP Publishing Ltd.

  3. Stability of Cu-Precipitates in Al-Cu Alloys

    Directory of Open Access Journals (Sweden)

    Torsten E. M. Staab

    2018-06-01

    Full Text Available We present first principle calculations on formation and binding energies for Cu and Zn as solute atoms forming small clusters up to nine atoms in Al-Cu and Al-Zn alloys. We employ a density-functional approach implemented using projector-augmented waves and plane wave expansions. We find that some structures, in which Cu atoms are closely packed on {100}-planes, turn out to be extraordinary stable. We compare the results with existing numerical or experimental data when possible. We find that Cu atoms precipitating in the form of two-dimensional platelets on {100}-planes in the fcc aluminum are more stable than three-dimensional structures consisting of the same number of Cu-atoms. The preference turns out to be opposite for Zn in Al. Both observations are in agreement with experimental observations.

  4. Ensemble Methods

    Science.gov (United States)

    Re, Matteo; Valentini, Giorgio

    2012-03-01

    Ensemble methods are statistical and computational learning procedures reminiscent of the human social learning behavior of seeking several opinions before making any crucial decision. The idea of combining the opinions of different "experts" to obtain an overall “ensemble” decision is rooted in our culture at least from the classical age of ancient Greece, and it has been formalized during the Enlightenment with the Condorcet Jury Theorem[45]), which proved that the judgment of a committee is superior to those of individuals, provided the individuals have reasonable competence. Ensembles are sets of learning machines that combine in some way their decisions, or their learning algorithms, or different views of data, or other specific characteristics to obtain more reliable and more accurate predictions in supervised and unsupervised learning problems [48,116]. A simple example is represented by the majority vote ensemble, by which the decisions of different learning machines are combined, and the class that receives the majority of “votes” (i.e., the class predicted by the majority of the learning machines) is the class predicted by the overall ensemble [158]. In the literature, a plethora of terms other than ensembles has been used, such as fusion, combination, aggregation, and committee, to indicate sets of learning machines that work together to solve a machine learning problem [19,40,56,66,99,108,123], but in this chapter we maintain the term ensemble in its widest meaning, in order to include the whole range of combination methods. Nowadays, ensemble methods represent one of the main current research lines in machine learning [48,116], and the interest of the research community on ensemble methods is witnessed by conferences and workshops specifically devoted to ensembles, first of all the multiple classifier systems (MCS) conference organized by Roli, Kittler, Windeatt, and other researchers of this area [14,62,85,149,173]. Several theories have been

  5. Method Mixins

    DEFF Research Database (Denmark)

    Ernst, Erik

    2005-01-01

    The world of programming has been conquered by the procedure call mechanism, including object-oriented method invocation which is a procedure call in context of an object. This paper presents an alternative, method mixin invocations, that is optimized for flexible creation of composite behavior...... of abstraction and reuse. Method mixins use shared name spaces to transfer information between caller and callee, as opposed to traditional invocation which uses parameters and returned results. This relieves the caller from dependencies on the callee, and it allows direct transfer of information further down...... the call stack, e.g., to a callee's callee. The mechanism has been implemented in the programming language gbeta. Variants of the mechanism could be added to almost any imperative programming language....

  6. Statistical methods

    CERN Document Server

    Szulc, Stefan

    1965-01-01

    Statistical Methods provides a discussion of the principles of the organization and technique of research, with emphasis on its application to the problems in social statistics. This book discusses branch statistics, which aims to develop practical ways of collecting and processing numerical data and to adapt general statistical methods to the objectives in a given field.Organized into five parts encompassing 22 chapters, this book begins with an overview of how to organize the collection of such information on individual units, primarily as accomplished by government agencies. This text then

  7. Sieve methods

    CERN Document Server

    Halberstam, Heine

    2011-01-01

    Derived from the techniques of analytic number theory, sieve theory employs methods from mathematical analysis to solve number-theoretical problems. This text by a noted pair of experts is regarded as the definitive work on the subject. It formulates the general sieve problem, explores the theoretical background, and illustrates significant applications.""For years to come, Sieve Methods will be vital to those seeking to work in the subject, and also to those seeking to make applications,"" noted prominent mathematician Hugh Montgomery in his review of this volume for the Bulletin of the Ameri

  8. Characterization methods

    Energy Technology Data Exchange (ETDEWEB)

    Glass, J.T. [North Carolina State Univ., Raleigh (United States)

    1993-01-01

    Methods discussed in this compilation of notes and diagrams are Raman spectroscopy, scanning electron microscopy, transmission electron microscopy, and other surface analysis techniques (auger electron spectroscopy, x-ray photoelectron spectroscopy, electron energy loss spectroscopy, and scanning tunnelling microscopy). A comparative evaluation of different techniques is performed. In-vacuo and in-situ analyses are described.

  9. Digital Methods

    NARCIS (Netherlands)

    Rogers, R.

    2013-01-01

    In Digital Methods, Richard Rogers proposes a methodological outlook for social and cultural scholarly research on the Web that seeks to move Internet research beyond the study of online culture. It is not a toolkit for Internet research, or operating instructions for a software package; it deals

  10. Chromatographic methods

    International Nuclear Information System (INIS)

    Marhol, M.; Stary, J.

    1975-01-01

    The characteristics are given of chromatographic separation and the methods are listed. Methods and data on materials used in partition, adsorption, precipitation and ion exchange chromatography are listed and conditions are described under which ion partition takes place. Special attention is devoted to ion exchange chromatography where tables are given to show the course of values of the partition coefficients of different ions in dependence on the concentration of agents and the course of equilibrium sorptions on different materials in dependence on the solution pH. A theoretical analysis is given and the properties of the most widely used ion exchangers are listed. Experimental conditions and apparatus used for each type of chromatography are listed. (L.K.)

  11. Numerical methods

    CERN Document Server

    Dahlquist, Germund

    1974-01-01

    ""Substantial, detailed and rigorous . . . readers for whom the book is intended are admirably served."" - MathSciNet (Mathematical Reviews on the Web), American Mathematical Society.Practical text strikes fine balance between students' requirements for theoretical treatment and needs of practitioners, with best methods for large- and small-scale computing. Prerequisites are minimal (calculus, linear algebra, and preferably some acquaintance with computer programming). Text includes many worked examples, problems, and an extensive bibliography.

  12. Sampling methods

    International Nuclear Information System (INIS)

    Loughran, R.J.; Wallbrink, P.J.; Walling, D.E.; Appleby, P.G.

    2002-01-01

    Methods for the collection of soil samples to determine levels of 137 Cs and other fallout radionuclides, such as excess 210 Pb and 7 Be, will depend on the purposes (aims) of the project, site and soil characteristics, analytical capacity, the total number of samples that can be analysed and the sample mass required. The latter two will depend partly on detector type and capabilities. A variety of field methods have been developed for different field conditions and circumstances over the past twenty years, many of them inherited or adapted from soil science and sedimentology. The use of them inherited or adapted from soil science and sedimentology. The use of 137 Cs in erosion studies has been widely developed, while the application of fallout 210 Pb and 7 Be is still developing. Although it is possible to measure these nuclides simultaneously, it is common for experiments to designed around the use of 137 Cs along. Caesium studies typically involve comparison of the inventories found at eroded or sedimentation sites with that of a 'reference' site. An accurate characterization of the depth distribution of these fallout nuclides is often required in order to apply and/or calibrate the conversion models. However, depending on the tracer involved, the depth distribution, and thus the sampling resolution required to define it, differs. For example, a depth resolution of 1 cm is often adequate when using 137 Cs. However, fallout 210 Pb and 7 Be commonly has very strong surface maxima that decrease exponentially with depth, and fine depth increments are required at or close to the soil surface. Consequently, different depth incremental sampling methods are required when using different fallout radionuclides. Geomorphic investigations also frequently require determination of the depth-distribution of fallout nuclides on slopes and depositional sites as well as their total inventories

  13. Decontaminating method

    International Nuclear Information System (INIS)

    Furukawa, Toshiharu; Shibuya, Kiichiro.

    1985-01-01

    Purpose: To provide a method of eliminating radioactive contaminations capable of ease treatment for decontaminated liquid wastes and grinding materials. Method: Those organic grinding materials such as fine wall nuts shell pieces cause no secondary contaminations since they are softer as compared with inorganic grinding materials, less pulverizable upon collision against the surface to be treated, being capable of reusing and producing no fine scattering powder. In addition, they can be treated by burning. The organic grinding material and water are sprayed by a nozzle to the surface to be treated, and decontaminated liquid wastes are separated into solid components mainly composed of organic grinding materials and liquid components mainly composed of water by filtering. The thus separated solid components are recovered in a storage tank for reuse as the grinding material and, after repeating use, subjected to burning treatment. While on the other hand, water is recovered into a storage tank and, after repeating use, purified by passing through an ion exchange resin-packed column and decontaminated to discharge. (Horiuchi, T.)

  14. WELDING METHOD

    Science.gov (United States)

    Cornell, A.A.; Dunbar, J.V.; Ruffner, J.H.

    1959-09-29

    A semi-automatic method is described for the weld joining of pipes and fittings which utilizes the inert gasshielded consumable electrode electric arc welding technique, comprising laying down the root pass at a first peripheral velocity and thereafter laying down the filler passes over the root pass necessary to complete the weld by revolving the pipes and fittings at a second peripheral velocity different from the first peripheral velocity, maintaining the welding head in a fixed position as to the specific direction of revolution, while the longitudinal axis of the welding head is disposed angularly in the direction of revolution at amounts between twenty minutas and about four degrees from the first position.

  15. Casting methods

    Science.gov (United States)

    Marsden, Kenneth C.; Meyer, Mitchell K.; Grover, Blair K.; Fielding, Randall S.; Wolfensberger, Billy W.

    2012-12-18

    A casting device includes a covered crucible having a top opening and a bottom orifice, a lid covering the top opening, a stopper rod sealing the bottom orifice, and a reusable mold having at least one chamber, a top end of the chamber being open to and positioned below the bottom orifice and a vacuum tap into the chamber being below the top end of the chamber. A casting method includes charging a crucible with a solid material and covering the crucible, heating the crucible, melting the material, evacuating a chamber of a mold to less than 1 atm absolute through a vacuum tap into the chamber, draining the melted material into the evacuated chamber, solidifying the material in the chamber, and removing the solidified material from the chamber without damaging the chamber.

  16. Radiochemical methods

    International Nuclear Information System (INIS)

    Geary, W.J.

    1986-01-01

    This little volume is one of an extended series of basic textbooks on analytical chemistry produced by the Analytical Chemistry by Open Learning project in the UK. Prefatory sections explain its mission, and how to use the Open Learning format. Seventeen specific sections organized into five chaptrs begin with a general discussion of nuclear properties, types, and laws of nuclear decay and proceeds to specific discussions of three published papers (reproduced in their entirety) giving examples of radiochemical methods which were discussed in the previous chapter. Each section begins with an overview, contains one or more practical problems (called self-assessment questions or SAQ's), and concludes with a summary and a list of objectives for the student. Following the main body are answers to the SAQ's, and several tables of physical constants, SI prefixes, etc. A periodic table graces the inside back cover

  17. Moment methods and Lanczos methods

    International Nuclear Information System (INIS)

    Whitehead, R.R.

    1980-01-01

    In contrast to many of the speakers at this conference I am less interested in average properties of nuclei than in detailed spectroscopy. I will try to show, however, that the two are very closely connected and that shell-model calculations may be used to give a great deal of information not normally associated with the shell-model. It has been demonstrated clearly to us that the level spacing fluctuations in nuclear spectra convey very little physical information. This is true when the fluctuations are averaged over the entire spectrum but not if one's interest is in the lowest few states, whose spacings are relatively large. If one wishes to calculate a ground state (say) accurately, that is with an error much smaller than the excitation energy of the first excited state, very high moments, μ/sub n/, n approx. 200, are needed. As I shall show, we use such moments as a matter of course, albeit without actually calculating them; in fact I will try to show that, if at all possible, the actual calculations of moments is to be avoided like the plague. At the heart of the new shell-model methods embodied in the Glasgow shell-model program and one or two similar ones is the so-called Lanczos method and this, it turns out, has many deep and subtle connections with the mathematical theory of moments. It is these connections that I will explore here

  18. Evaluation of dimensional stability of Iralgin and Alginoplast alginates after disinfection by sodium hypochlorite (5.2% with immersion and spraying methods

    Directory of Open Access Journals (Sweden)

    Vojdani M

    2006-01-01

    Full Text Available Background and Aim: Infection control is an integral part of dentistry and dental impressions are considered an important issue in cross contamination. The aim of this study was to investigate the dimensional stability of two irreversible hydrocolloid materials, Alginoplast and Iralgin after disinfection with 5.2% sodium hypochlorite, used with immersion and spraying methods. Material and Methods: In this experimental study, impressions were made of a master mandibular arch (Typodont containing three stainless steel inserts on the occlucal surface of both mandibular first molars and in the lingual surface of the mandibular central incisors, which served as reference marks for making measurements. Two types of irreversible hydrocolloid (Iralgin and Alginoplast were tested. 5.2% sodium hypochlorite was used in two methods of spraying and immersion to disinfect the samples. The control group was not disinfected. Casts were made of type III gypsum. Stone casts were measured with a Nikon profile projector.Kruskall-Wallis and Mann-Witney test were used for statistical analysis using p<0.05 as the limit of significance. Results: Casts prepared from Alginoplast disinfected by spraying method, were 0.38 % larger in anteroposterior and 0.06% smaller in cross arch dimensions, whereas those prepared from Alginoplast immersed in hypochlorite were 0.47% larger in anteroposterior and 0.11% smaller in cross arch dimensions. Casts made from Iralgin were smaller after both methods of disinfecting, (0.01% smaller in anteroposterior and 0.001% smaller in cross-arch dimensions after spraying and 0.04% smaller in anteroposterior and 0.03% smaller in cross-arch dimensions after immersing in sodium hypochlorite. Conclusion: Alginoplast and Iralgin impressions can be immersed or sprayed for disinfection without compromising the accuracy needed for diagnostic and opposing casts, as well as removable partial denture construction.

  19. On method

    Directory of Open Access Journals (Sweden)

    Frederik Kortlandt

    2018-01-01

    Full Text Available The basis of linguistic reconstruction is the comparative method, which starts from the assumption that there is “a stronger affinity, both in the roots of verbs and in the forms of grammar, than could possibly have been produced by accident”, implying the existence of a common source (thus Sir William Jones in 1786. It follows that there must be a possible sequence of developments from the reconstructed system to the attested data. These developments must have been either phonetically regular or analogical. The latter type of change requires a model and a motivation. A theory which does not account for the data in terms of sound laws and well-motivated analogical changes is not a linguistic reconstruction but philosophical speculation.The pre-laryngealist idea that any Proto-Indo-European long vowel became acute in Balto-Slavic is a typical example of philosophical speculation contradicted by the comparative evidence. Other examples are spontaneous glottalization (Jasanoff’s “acute assignment”, unattested anywhere in the world, Jasanoff’s trimoraic long vowels, Eichner’s law, Osthoff’s law, and Szemerényi’s law, which is an instance of circular reasoning. The Balto-Slavic acute continues the Proto-Indo-European laryngeals and the glottalic feature of the traditional Proto-Indo-European “unaspirated voiced” obstruents (Winter’s law. My reconstruction of Proto-Indo-European glottalic obstruents is based on direct evidence from Indo-Iranian, Armenian, Baltic and Germanic and indirect evidence from Indo-Iranian, Greek, Latin and Slavic.

  20. Simulation calculations for the positron annihilation in aluminium alloys for the study of the segregate formation; Simulationsrechnungen zur Positronenannihilation in Aluminiumlegierungen zur Untersuchung der Ausscheidungsbildung

    Energy Technology Data Exchange (ETDEWEB)

    Korff, Bjoern

    2010-11-29

    Highly solid aluminium alloys owe their properties to small, finely distributed segregations of alloy atoms. For the better understanding of the temperature treatment, which is required in order to control the segregate formation, it is important, to determine informations on the first early stages from few atoms. In the positron-annihilation spectroscopy (PAS) positrons are trapped in the vacancies of a solid and yield at their annihilation with surrounding electrons informations from their direct environment. because the formation of segregates requires a diffusion of the extraneous atoms by means of the vacancies, the PAS represents one of the few examination methods, by which already the formation of smallest segregations can be observed. By the comparison of measurement quantities of the PAS with simulations for different possible arrangements of extraneous atoms around the vacancy the atomic environment of the vacancy can be identified. In order to make this possible also in aluminium alloys, in which the number of the possible defect types is relatively large, a good description of the measurement values by the simulation is especially important. In the framework of this thesis the program AB2D was developed, by which the Doppler shift of the annihilation radiation can be determined. Contrarily to already existing approaches here valence-electron wave functions are used, which were calculated with the program ABINIT. By this way the main uncertainty by the description of the valence electrons in atomic superposition is cancelled. Because ABINIT is based on pseudopotentials, the projector augmented-wave method is used in order to describe the higher momenta of the electrons near the nuclei more realistically. With AB2D simulations for vacancy-extraneous-atom complexes and segregation phases in the alloy systems Al-Cu, Al-Mg-Cu, and Al-Mg-Si were performed. A comparison with measurements on samples, which were only few minutes stored at room temperature

  1. SU-C-204-03: DFT Calculations of the Stability of DOTA-Based-Radiopharmaceuticals

    Energy Technology Data Exchange (ETDEWEB)

    Khabibullin, A.R.; Woods, L.M. [University of South Florida, Tampa, Florida (United States); Karolak, A.; Budzevich, M.M.; Martinez, M.V. [H. Lee Moffitt Cancer Center and Research Institute, Tampa, Florida (United States); McLaughlin, M.L.; Morse, D.L. [University of South Florida, Tampa, Florida (United States); H. Lee Moffitt Cancer Center and Research Institute, Tampa, Florida (United States)

    2016-06-15

    Purpose: Application of the density function theory (DFT) to investigate the structural stability of complexes applied in cancer therapy consisting of the 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) chelated to Ac225, Fr221, At217, Bi213, and Gd68 radio-nuclei. Methods: The possibility to deliver a toxic payload directly to tumor cells is a highly desirable aim in targeted alpha particle therapy. The estimation of bond stability between radioactive atoms and the DOTA chelating agent is the key element in understanding the foundations of this delivery process. Thus, we adapted the Vienna Ab-initio Simulation Package (VASP) with the projector-augmented wave method and a plane-wave basis set in order to study the stability and electronic properties of DOTA ligand chelated to radioactive isotopes. In order to count for the relativistic effect of radioactive isotopes we included Spin-Orbit Coupling (SOC) in the DFT calculations. Five DOTA complex structures were represented as unit cells, each containing 58 atoms. The energy optimization was performed for all structures prior to calculations of electronic properties. Binding energies, electron localization functions as well as bond lengths between atoms were estimated. Results: Calculated binding energies for DOTA-radioactive atom systems were −17.792, −5.784, −8.872, −13.305, −18.467 eV for Ac, Fr, At, Bi and Gd complexes respectively. The displacements of isotopes in DOTA cages were estimated from the variations in bond lengths, which were within 2.32–3.75 angstroms. The detailed representation of chemical bonding in all complexes was obtained with the Electron Localization Function (ELF). Conclusion: DOTA-Gd, DOTA-Ac and DOTA-Bi were the most stable structures in the group. Inclusion of SOC had a significant role in the improvement of DFT calculation accuracy for heavy radioactive atoms. Our approach is found to be proper for the investigation of structures with DOTA

  2. Knowledge creation about ADRs-turning the perspective from the rear mirror to the projector?

    DEFF Research Database (Denmark)

    Aagaard, Lise; Soendergaard, Birthe; Stenver, Doris I

    2008-01-01

    What is already known about this subject? Serious and unexpected adverse drug reactions (ADRs) have been reported shortly after marketing of a number of drugs. Review of ADR cases by the regulatory authorities has resulted in suspension of drugs or restrictions in product information. What...... this study adds? Information about serious and unexpected ADRs of three drugs with reported serious ADRs was already present in the registration files. Observations of these ADRs were not investigated further before marketing. A more active utilization of the ADR information in premarketing studies could...... probably prevent the appearance of unexpected and serious ADR cases after marketing. AIMS: Spontaneous reports of adverse drug reactions (ADRs) are often the only documentation used to justify the recall of drugs from the market. The purpose of this study was to investigate whether it would have been...

  3. Time-localized projectors in string field theory with an E-field

    International Nuclear Information System (INIS)

    Maccaferri, C.; Scherer Santos, R.J.; Tolla, D.D.

    2005-01-01

    We extend the analysis of Bonora et al. [hep-th/0409063] to the case of a constant electric field turned on the world volume and on a transverse direction of a D-brane. We show that time localization is still obtained by inverting the discrete eigenvalues of the lump solution. The lifetime of the unstable soliton is shown to depend on two free parameters: the b parameter and the value of the electric field. As a by-product, we construct the normalized diagonal basis of the star algebra in the B μν -field background

  4. 77 FR 68830 - Certain Projectors With Controlled-Angle Optical Retarders, Components Thereof, and Products...

    Science.gov (United States)

    2012-11-16

    ... Commission's notice of investigation named as respondents Sony Corporation of Tokyo, Japan; Sony Corporation of America of New York, New York; and Sony Electronics Inc. of San Diego, California. The Office of... Kingdom and Compound Photonics U.S. Corporation of Phoenix, Arizona (collectively ``Compound Photonics...

  5. 76 FR 66750 - Certain Projectors With Controlled-Angle Optical Retarders, Components Thereof, and Products...

    Science.gov (United States)

    2011-10-27

    ... containing same. The complaint names as respondents Sony Corporation of Japan; Sony Corporation of America of New York, NY; and Sony Electronics Inc. of San Diego, CA. The complainant, proposed respondents, other... behalf of Compound Photonics Ltd. and Compound Photonics U.S. Corporation on October 21, 2011. The...

  6. 76 FR 72722 - Certain Projectors With Controlled-Angle Optical Retarders, Components Thereof, and Products...

    Science.gov (United States)

    2011-11-25

    ... served: Sony Corporation, 1-7-1 Konan, Minato-ku, Tokyo, Japan 108-0075; Sony Corporation of America, 550... Kingdom and Compound Photonics U.S. Corporation of Phoenix, Arizona. A supplement to the Complaint was... Photonics U.S. Corporation, 1110 North 52nd Street, Phoenix, AZ 85008. (b) The respondents are the following...

  7. Pico Lantern: a pick-up projector for augmented reality in laparoscopic surgery.

    Science.gov (United States)

    Edgcumbe, Philip; Pratt, Philip; Yang, Guang-Zhong; Nguan, Chris; Rohling, Rob

    2014-01-01

    The Pico Lantern is proposed as a new tool for guidance in laparoscopic surgery. Its miniaturized design allows it to be picked up by a laparoscopic tool during surgery and tracked directly by the endoscope. By using laser projection, different patterns and annotations can be projected onto the tissue surface. The first explored application is surface reconstruction. The absolute error for surface reconstruction using stereo endoscopy and untracked Pico Lantern for a plane, cylinder and ex vivo kidney is 2.0 mm, 3.0 mm and 5.6 mm respectively. The absolute error using a mono endoscope and a tracked Pico Lantern for the same plane, cylinder and kidney is 0.8mm, 0.3mm and 1.5mm respectively. The results show the benefit of the wider baseline produced by tracking the Pico Lantern. Pulsatile motion of a human carotid artery is also detected in vivo. Future work will be done on the integration into standard and robot-assisted laparoscopic surgery.

  8. 77 FR 34967 - Notice of Issuance of Final Determination Concerning Digital Projectors

    Science.gov (United States)

    2012-06-12

    ... that the assembly and programming operations performed in the Taiwan substantially transform the non... determination, CBP concluded that based upon the facts presented, the assembly and programming operations... part 177 of the U.S. Customs Border Protection (CBP) Regulations (19 C.F.R. Part 177). Under these...

  9. 76 FR 49782 - Notice of Issuance of Final Determination Concerning Certain Digital Projectors

    Science.gov (United States)

    2011-08-11

    ... and programming operations performed in Taiwan substantially transform the non-TAA country components... facts presented, the assembly and programming operations performed in Taiwan substantially transform the... Border Protection (CBP) Regulations (19 C.F.R. Part 177). Under these regulations, which implement Title...

  10. Projector and Backprojector for Iterative CT Reconstruction with Blobs using CUDA

    NARCIS (Netherlands)

    Bippus, R.D.; Koehler, T.; Bergner, F.; Brendel, B.; Hansis, E.; Proksa, R.

    2011-01-01

    Aiming at modeling the system’s geometry correctly accounting for the major effects influencing image quality within an iterative reconstruction framework we want to achieve this within reasonable processing times. This principle objective led us to using blobs for imagerepresentation and a

  11. A fringe projector-based study of the Brighter-Fatter Effect in LSST CCDs

    Science.gov (United States)

    Gilbertson, W.; Nomerotski, A.; Takacs, P.

    2017-09-01

    To achieve the goals of the Large Synoptic Survey Telescope for Dark Energy science requires a detailed understanding of CCD sensor effects. One such sensor effect is the Point Spread Function (PSF) increasing with flux, alternatively called the `Brighter-Fatter Effect.' In this work a novel approach was tested to perform the PSF measurements in the context of the Brighter-Fatter Effect employing a Michelson interferometer to project a sinusoidal fringe pattern onto the CCD. The Brighter-Fatter effect predicts that the fringe pattern should become asymmetric in the intensity pattern as the brighter peaks corresponding to a larger flux are smeared by a larger PSF. By fitting the data with a model that allows for a changing PSF, the strength of the Brighter-Fatter effect can be evaluated.

  12. DICOM to print, 35-mm slides, web, and video projector: tutorial using Adobe Photoshop.

    Science.gov (United States)

    Gurney, Jud W

    2002-10-01

    Preparing images for publication has dealt with film and the photographic process. With picture archiving and communications systems, many departments will no longer produce film. This will change how images are produced for publication. DICOM, the file format for radiographic images, has to be converted and then prepared for traditional publication, 35-mm slides, the newest techniques of video projection, and the World Wide Web. Tagged image file format is the common format for traditional print publication, whereas joint photographic expert group is the current file format for the World Wide Web. Each medium has specific requirements that can be met with a common image-editing program such as Adobe Photoshop (Adobe Systems, San Jose, CA). High-resolution images are required for print, a process that requires interpolation. However, the Internet requires images with a small file size for rapid transmission. The resolution of each output differs and the image resolution must be optimized to match the output of the publishing medium.

  13. A Full-Color, High-Resolution Laser Projector for a Flight Simulator Visual Display

    Science.gov (United States)

    1993-08-01

    Optical Engineering, 31 (11), 2300-2311. Welford, W.T., & Winston , R. (1989). High collection nonimaging optics . San Diego, CA: Academic Press. 17 ... optically combines the output from red, green, and blue LCD panels to produce color. A light valve extracts the three primaries from a single xenon... concentrated than the noncoherent light sources used in light valve, CRT, LCD, and other displays. An obvious benefit of this is the ability to

  14. A computational study on the energetics and mechanisms for the dissociative adsorption of SiH{sub x}(x = 1–4) on W(1 1 1) surface

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Y.H.; Raghunath, P.; Lin, M.C., E-mail: chemmcl@emory.edu

    2016-01-30

    Graphical abstract: - Highlights: • Behavior of the SiH{sub x} species on the W surface under cat-CVD conditions. • The adsorption and dissociation mechanisms of SiH{sub x}(x = 1–4) species on W(1 1 1) surface. • H-migration to its neighboring W atoms is more favorable compared to H{sub 2} elimination. - Abstract: The adsorption and dissociation mechanisms of SiH{sub x}(x = 1–4) species on W(1 1 1) surface have been investigated by using the periodic density functional theory with the projector-augmented wave approach. The adsorption of all the species on four surface sites: top (T), bridge (B), shallow (S), and deep (D) sites have been analyzed. For SiH{sub 4} on a top site, T-SiH{sub 4(a)}, it is more stable with an adsorption energy of 2.6 kcal/mol. For SiH{sub 3}, the 3-fold shallow site is most favorable with adsorption energy of 46.0 kcal/mol. For SiH{sub 2}, its adsorption on a bridge site is most stable with 73.0 kcal/mol binding energy, whereas for SiH and Si the most stable adsorption configurations are on 3-fold deep sites with very high adsorption energies, 111.8 and 134.7 kcal/mol, respectively. The potential energy surfaces for the dissociative adsorption of all SiH{sub x} species on the W(1 1 1) surface have been constructed using the CINEB method. The barriers for H-atom migration from SiH{sub x(a)} to its neighboring W atoms, preferentially on B-sites, were predicted to be 0.4, 1.0, 4.5 and, 8.0 kcal/mol, respectively, for x = 4, 3, 2, and 1, respectively. The adsorption energy of the H atom on a bridge site on the clean W(1 1 1) surface was predicted to be 65.9 kcal/mol, which was found to be slightly affected by the co-adsorption of SiH{sub x−1} within ± 1 kcal/mol.

  15. EPR parameters of E centers inν-SiO2 from first-principles calculations

    International Nuclear Information System (INIS)

    Giacomazzi, Luigi; Martin-Samos, L.; Boukenter, A.; Ouerdane, Y.; Girard, S.; Richard, N.

    2014-01-01

    A first-principles investigation of E' centers in vitreous silica (ν-SiO 2 ) based on calculations of the electron paramagnetic resonance (EPR) parameters is presented. The EPR parameters are obtained by exploiting the gauge including projector augmented wave method as implemented in the QUANTUM-ESPRESSO package. First, we analyze the EPR parameters of a large number of Si 2 dimers. The g tensor of the Si 2 dimers is shown to possess an average rhombic symmetry and larger g principal values with respect to those observed, e.g., for the E 'γ center in silica. Furthermore, the g principal values clearly show a linear trend with the Si-Si dimer length. Our results suggest that the Si 2 dimers could correspond to an unidentified paramagnetic center, though occasionally the calculated g principal values of the Si 2 dimer might be compatible with those found experimentally for the E' δ center. Next, we generate non dimer configurations by a procedure involving structural relaxations in the subsequent positively charged states. In particular, puckered, un-puckered, doubly puckered, and forward-oriented configurations are generated. The distributions of the calculated EPR parameters of the puckered and un-puckered configurations further support the assignment of the E' γ center to an unpaired spin localized at a threefold coordinated silicon dangling bond. Moreover, by analyzing Fermi contacts and g tensors of the puckered and forward-oriented configurations, we suggest the assignment of the E' α center to the latter type of configurations. This work also suggests that the differences in the EPR parameters of E' α and E' γ centers mainly arise from the strained geometry of the silicon dangling bond. In the forward-oriented configurations, one Si-O bond is about 0.2 Angstroms longer than the remaining two, whereas in the silicon dangling bond of the puckered and un-puckered configurations, all three bonds have a length of ≅1

  16. The PSEUDODOJO: Training and grading a 85 element optimized norm-conserving pseudopotential table

    Science.gov (United States)

    van Setten, M. J.; Giantomassi, M.; Bousquet, E.; Verstraete, M. J.; Hamann, D. R.; Gonze, X.; Rignanese, G.-M.

    2018-05-01

    First-principles calculations in crystalline structures are often performed with a planewave basis set. To make the number of basis functions tractable two approximations are usually introduced: core electrons are frozen and the diverging Coulomb potential near the nucleus is replaced by a smoother expression. The norm-conserving pseudopotential was the first successful method to apply these approximations in a fully ab initio way. Later on, more efficient and more exact approaches were developed based on the ultrasoft and the projector augmented wave formalisms. These formalisms are however more complex and developing new features in these frameworks is usually more difficult than in the norm-conserving framework. Most of the existing tables of norm-conserving pseudopotentials, generated long ago, do not include the latest developments, are not systematically tested or are not designed primarily for high precision. In this paper, we present our PSEUDODOJO framework for developing and testing full tables of pseudopotentials, and demonstrate it with a new table generated with the ONCVPSP approach. The PSEUDODOJO is an open source project, building on the ABIPY package, for developing and systematically testing pseudopotentials. At present it contains 7 different batteries of tests executed with ABINIT, which are performed as a function of the energy cutoff. The results of these tests are then used to provide hints for the energy cutoff for actual production calculations. Our final set contains 141 pseudopotentials split into a standard and a stringent accuracy table. In total around 70,000 calculations were performed to test the pseudopotentials. The process of developing the final table led to new insights into the effects of both the core-valence partitioning and the non-linear core corrections on the stability, convergence, and transferability of norm-conserving pseudopotentials. The PSEUDODOJO hence provides a set of pseudopotentials and general purpose tools

  17. Using Multiple Methods to teach ASTR 101 students the Path of the Sun and Shadows

    Science.gov (United States)

    D'Cruz, Noella L.

    2015-01-01

    It seems surprising that non-science major introductory astronomy students find the daily path of the Sun and shadows created by the Sun challenging to learn even though both can be easily observed (provided students do not look directly at the Sun). In order for our students to master the relevant concepts, we have usually used lecture, a lecture tutorial (from Prather, et al.) followed by think-pair-share questions, a planetarium presentation and an animation from the Nebraska Astronomy Applet Project to teach these topics. We cover these topics in a lecture-only, one semester introductory astronomy course at Joliet Junior College. Feedback from our Spring 2014 students indicated that the planetarium presentation was the most helpful in learning the path of the Sun while none of the four teaching methods was helpful when learning about shadows cast by the Sun. Our students did not find the lecture tutorial to be much help even though such tutorials have been proven to promote deep conceptual change. In Fall 2014, we continued to use these four methods, but we modified how we teach both topics so our students could gain more from the tutorial. We hoped our modifications would cause students to have a better overall grasp of the concepts. After our regular lecture, we gave a shorter than usual planetarium presentation on the path of the Sun and we asked students to work through a shadow activity from Project Astro materials. Then students completed the lecture tutorial and some think-pair-share questions. After this, we asked students to predict the Sun's path on certain days of the year and we used the planetarium projector to show them how well their predictions matched up. We ended our coverage of these topics by asking students a few more think-pair-share questions. In our poster, we will present our approach to teaching these topics in Fall 2014, how our Fall 2014 students feel about our teaching strategies and how they fared on related test questions.

  18. Quantum Monte Carlo methods and strongly correlated electrons on honeycomb structures

    Energy Technology Data Exchange (ETDEWEB)

    Lang, Thomas C.

    2010-12-16

    In this thesis we apply recently developed, as well as sophisticated quantum Monte Carlo methods to numerically investigate models of strongly correlated electron systems on honeycomb structures. The latter are of particular interest owing to their unique properties when simulating electrons on them, like the relativistic dispersion, strong quantum fluctuations and their resistance against instabilities. This work covers several projects including the advancement of the weak-coupling continuous time quantum Monte Carlo and its application to zero temperature and phonons, quantum phase transitions of valence bond solids in spin-1/2 Heisenberg systems using projector quantum Monte Carlo in the valence bond basis, and the magnetic field induced transition to a canted antiferromagnet of the Hubbard model on the honeycomb lattice. The emphasis lies on two projects investigating the phase diagram of the SU(2) and the SU(N)-symmetric Hubbard model on the hexagonal lattice. At sufficiently low temperatures, condensed-matter systems tend to develop order. An exception are quantum spin-liquids, where fluctuations prevent a transition to an ordered state down to the lowest temperatures. Previously elusive in experimentally relevant microscopic two-dimensional models, we show by means of large-scale quantum Monte Carlo simulations of the SU(2) Hubbard model on the honeycomb lattice, that a quantum spin-liquid emerges between the state described by massless Dirac fermions and an antiferromagnetically ordered Mott insulator. This unexpected quantum-disordered state is found to be a short-range resonating valence bond liquid, akin to the one proposed for high temperature superconductors. Inspired by the rich phase diagrams of SU(N) models we study the SU(N)-symmetric Hubbard Heisenberg quantum antiferromagnet on the honeycomb lattice to investigate the reliability of 1/N corrections to large-N results by means of numerically exact QMC simulations. We study the melting of phases

  19. Macroscopic elastic properties of textured ZrN-AlN polycrystalline aggregates: From ab initio calculations to grainscale interactions

    Czech Academy of Sciences Publication Activity Database

    Holec, D.; Tasnadi, F.; Wagner, P.; Friák, Martin; Neugebauer, J.; Mayrhofer, P. H.; Keckes, J.

    2014-01-01

    Roč. 90, č. 18 (2014), č. článku 184106. ISSN 1098-0121 Grant - others:GA MŠk(CZ) LM2010005 Institutional support: RVO:68081723 Keywords : AUGMENTED-WAVE METHOD * N THIN-FILMS * THERMAL-DECOMPOSITION * ALLOYS * PRINCIPLES Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.736, year: 2014

  20. Ab initio study of deformed As, Sb, and Bi with an application to thin films

    Czech Academy of Sciences Publication Activity Database

    Zouhar, M.; Šob, Mojmír

    2016-01-01

    Roč. 94, č. 18 (2016), č. článku 184110. ISSN 2469-9950 R&D Projects: GA MŠk(CZ) LQ1601; GA ČR(CZ) GA16-24711S Institutional support: RVO:68081723 Keywords : AUGMENTED- WAVE METHOD * HIGH-PRESSURE * GROUP-15 ELEMENTS Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.836, year: 2016

  1. Adsorption of Organic Molecules to van der Waals Materials: Comparison of Fluorographene and Fluorographite with Graphene and Graphite

    Czech Academy of Sciences Publication Activity Database

    Karlický, F.; Otyepková, E.; Lo, Rabindranath; Pitoňák, M.; Jurečka, P.; Pykal, M.; Hobza, Pavel; Otyepka, M.

    2017-01-01

    Roč. 13, č. 3 (2017), s. 1328-1340 ISSN 1549-9618 R&D Projects: GA ČR(CZ) GBP208/12/G016 Institutional support: RVO:61388963 Keywords : density functional theory * augmented wave method * basis set convergence Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 5.245, year: 2016 http://pubs.acs.org/doi/full/10.1021/acs.jctc.6b01130

  2. Understanding the giant enhancement of exchange interaction in Bi.sub.2./sub.Se.sub.3./sub.-EuS heterostructures

    Czech Academy of Sciences Publication Activity Database

    Kim, J.; Kim, K.W.; Wang, H.; Sinova, Jairo; Wu, R.

    2017-01-01

    Roč. 119, č. 2 (2017), s. 1-5, č. článku 027201. ISSN 0031-9007 EU Projects: European Commission(XE) 610115 - SC2 Institutional support: RVO:68378271 Keywords : doped topological insulator * augmented-wave method * spin-orbit torque * ferrimagnetic insulator * noncollinear magnetism * electric-field * temperature * surface * state Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 8.462, year: 2016

  3. Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites

    Czech Academy of Sciences Publication Activity Database

    Bulánek, R.; Frolich, K.; Cicmanec, P.; Nachtigallová, Dana; Pulido, A.; Nachtigall, P.

    2011-01-01

    Roč. 115, č. 27 (2011), s. 13312-13321 ISSN 1932-7447 R&D Projects: GA ČR GA203/09/0143; GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : augmented-wave method * high-silica zeolites * co adsorption * infrared-spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.805, year: 2011

  4. Spin-Crossing in an Organometallic Pt-Benzene Complex

    Czech Academy of Sciences Publication Activity Database

    Granatier, Jaroslav; Dubecký, M.; Lazar, P.; Otyepka, M.; Hobza, Pavel

    2013-01-01

    Roč. 9, č. 3 (2013), s. 1461-1468 ISSN 1549-9618 R&D Projects: GA ČR GBP208/12/G016 Grant - others:GA ČR(CZ) GAP208/10/1742 Program:GA Institutional support: RVO:61388963 Keywords : quantum Monte Carlo * 2nd-order perturbation-theory * density-functional theory * augmented-wave method Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.310, year: 2013

  5. Monte Carlo study of superconductivity in the three-band Emery model

    International Nuclear Information System (INIS)

    Frick, M.; Pattnaik, P.C.; Morgenstern, I.; Newns, D.M.; von der Linden, W.

    1990-01-01

    We have examined the three-band Hubbard model for the copper oxide planes in high-temperature superconductors using the projector quantum Monte Carlo method. We find no evidence for s-wave superconductivity

  6. Decentralized Cloud Method For Multicasting Media Stream

    Directory of Open Access Journals (Sweden)

    D M B N Bandara

    2015-08-01

    Full Text Available With the advancement of Information technology the concept of idea sharing has advanced. Mostly on presentations personal computer and projector have become essentials. But on most occasions for connecting these equipment cables and physical devices are used. This is inefficient and time consuming. If a problem occurs someone with technical knowledge is necessary to solve the situation. The objective of this research is to use the wireless technology to reduce the manual configuration and build up a platform where one can easily share files a visuals media and feedback. A system has been developed to detect all the devices over a network and upon granted permission will share video audio and access controls. Final outcome of the research was a collaborative software bundle which work together on a network. One part of the system is a Desktop Network Software. And other is a Mobile Application. Desktop application can detect all other devices in the network which provides the same facility and if required can allocate a group and share its screen files and have a message stream to each device using multicasting. Mobile application can act as a mobile remote to the host computer of the group which can detect any input from user and pass it to the system.

  7. Ensemble Data Mining Methods

    Data.gov (United States)

    National Aeronautics and Space Administration — Ensemble Data Mining Methods, also known as Committee Methods or Model Combiners, are machine learning methods that leverage the power of multiple models to achieve...

  8. BDF-methods

    DEFF Research Database (Denmark)

    Hostrup, Astrid Kuijers

    1999-01-01

    An introduction to BDF-methods is given. The use of these methods on differential algebraic equations (DAE's) with different indexes with respect to order, stability and convergens of the BDF-methods is presented.......An introduction to BDF-methods is given. The use of these methods on differential algebraic equations (DAE's) with different indexes with respect to order, stability and convergens of the BDF-methods is presented....

  9. Uranium price forecasting methods

    International Nuclear Information System (INIS)

    Fuller, D.M.

    1994-01-01

    This article reviews a number of forecasting methods that have been applied to uranium prices and compares their relative strengths and weaknesses. The methods reviewed are: (1) judgemental methods, (2) technical analysis, (3) time-series methods, (4) fundamental analysis, and (5) econometric methods. Historically, none of these methods has performed very well, but a well-thought-out model is still useful as a basis from which to adjust to new circumstances and try again

  10. Methods in aquatic bacteriology

    National Research Council Canada - National Science Library

    Austin, B

    1988-01-01

    .... Within these sections detailed chapters consider sampling methods, determination of biomass, isolation methods, identification, the bacterial microflora of fish, invertebrates, plants and the deep...

  11. Transport equation solving methods

    International Nuclear Information System (INIS)

    Granjean, P.M.

    1984-06-01

    This work is mainly devoted to Csub(N) and Fsub(N) methods. CN method: starting from a lemma stated by Placzek, an equivalence is established between two problems: the first one is defined in a finite medium bounded by a surface S, the second one is defined in the whole space. In the first problem the angular flux on the surface S is shown to be the solution of an integral equation. This equation is solved by Galerkin's method. The Csub(N) method is applied here to one-velocity problems: in plane geometry, slab albedo and transmission with Rayleigh scattering, calculation of the extrapolation length; in cylindrical geometry, albedo and extrapolation length calculation with linear scattering. Fsub(N) method: the basic integral transport equation of the Csub(N) method is integrated on Case's elementary distributions; another integral transport equation is obtained: this equation is solved by a collocation method. The plane problems solved by the Csub(N) method are also solved by the Fsub(N) method. The Fsub(N) method is extended to any polynomial scattering law. Some simple spherical problems are also studied. Chandrasekhar's method, collision probability method, Case's method are presented for comparison with Csub(N) and Fsub(N) methods. This comparison shows the respective advantages of the two methods: a) fast convergence and possible extension to various geometries for Csub(N) method; b) easy calculations and easy extension to polynomial scattering for Fsub(N) method [fr

  12. Advanced differential quadrature methods

    CERN Document Server

    Zong, Zhi

    2009-01-01

    Modern Tools to Perform Numerical DifferentiationThe original direct differential quadrature (DQ) method has been known to fail for problems with strong nonlinearity and material discontinuity as well as for problems involving singularity, irregularity, and multiple scales. But now researchers in applied mathematics, computational mechanics, and engineering have developed a range of innovative DQ-based methods to overcome these shortcomings. Advanced Differential Quadrature Methods explores new DQ methods and uses these methods to solve problems beyond the capabilities of the direct DQ method.After a basic introduction to the direct DQ method, the book presents a number of DQ methods, including complex DQ, triangular DQ, multi-scale DQ, variable order DQ, multi-domain DQ, and localized DQ. It also provides a mathematical compendium that summarizes Gauss elimination, the Runge-Kutta method, complex analysis, and more. The final chapter contains three codes written in the FORTRAN language, enabling readers to q...

  13. Inflow Turbulence Generation Methods

    Science.gov (United States)

    Wu, Xiaohua

    2017-01-01

    Research activities on inflow turbulence generation methods have been vigorous over the past quarter century, accompanying advances in eddy-resolving computations of spatially developing turbulent flows with direct numerical simulation, large-eddy simulation (LES), and hybrid Reynolds-averaged Navier-Stokes-LES. The weak recycling method, rooted in scaling arguments on the canonical incompressible boundary layer, has been applied to supersonic boundary layer, rough surface boundary layer, and microscale urban canopy LES coupled with mesoscale numerical weather forecasting. Synthetic methods, originating from analytical approximation to homogeneous isotropic turbulence, have branched out into several robust methods, including the synthetic random Fourier method, synthetic digital filtering method, synthetic coherent eddy method, and synthetic volume forcing method. This article reviews major progress in inflow turbulence generation methods with an emphasis on fundamental ideas, key milestones, representative applications, and critical issues. Directions for future research in the field are also highlighted.

  14. Methods of nonlinear analysis

    CERN Document Server

    Bellman, Richard Ernest

    1970-01-01

    In this book, we study theoretical and practical aspects of computing methods for mathematical modelling of nonlinear systems. A number of computing techniques are considered, such as methods of operator approximation with any given accuracy; operator interpolation techniques including a non-Lagrange interpolation; methods of system representation subject to constraints associated with concepts of causality, memory and stationarity; methods of system representation with an accuracy that is the best within a given class of models; methods of covariance matrix estimation;methods for low-rank mat

  15. Consumer Behavior Research Methods

    DEFF Research Database (Denmark)

    Chrysochou, Polymeros

    2017-01-01

    This chapter starts by distinguishing consumer behavior research methods based on the type of data used, being either secondary or primary. Most consumer behavior research studies phenomena that require researchers to enter the field and collect data on their own, and therefore the chapter...... emphasizes the discussion of primary research methods. Based on the nature of the data primary research methods are further distinguished into qualitative and quantitative. The chapter describes the most important and popular qualitative and quantitative methods. It concludes with an overall evaluation...... of the methods and how to improve quality in consumer behavior research methods....

  16. Dissolution Methods Database

    Data.gov (United States)

    U.S. Department of Health & Human Services — For a drug product that does not have a dissolution test method in the United States Pharmacopeia (USP), the FDA Dissolution Methods Database provides information on...

  17. The three circle method

    International Nuclear Information System (INIS)

    Garncarek, Z.

    1989-01-01

    The three circle method in its general form is presented. The method is especially useful for investigation of shapes of agglomerations of objects. An example of its applications to investigation of galaxies distribution is given. 17 refs. (author)

  18. Design Methods in Practice

    DEFF Research Database (Denmark)

    Jensen, Torben Elgaard; Andreasen, Mogens Myrup

    2010-01-01

    The paper challenges the dominant and widespread view that a good design method will guarantee a systematic approach as well as certain results. First, it explores the substantial differences between on the one hand the conception of methods implied in Pahl & Beitz’s widely recognized text book...... on engineering design, and on the other hand the understanding of method use, which has emerged from micro-sociological studies of practice (ethnomethodology). Second, it reviews a number of case studies conducted by engineering students, who were instructed to investigate the actual use of design methods...... in Danish companies. The paper concludes that design methods in practice deviate substantially from Pahl & Beitz’s description of method use: The object and problems, which are the starting points for method use, are more contested and less given than generally assumed; The steps of methods are often...

  19. Advances in Numerical Methods

    CERN Document Server

    Mastorakis, Nikos E

    2009-01-01

    Features contributions that are focused on significant aspects of current numerical methods and computational mathematics. This book carries chapters that advanced methods and various variations on known techniques that can solve difficult scientific problems efficiently.

  20. Basic Finite Element Method

    International Nuclear Information System (INIS)

    Lee, Byeong Hae

    1992-02-01

    This book gives descriptions of basic finite element method, which includes basic finite element method and data, black box, writing of data, definition of VECTOR, definition of matrix, matrix and multiplication of matrix, addition of matrix, and unit matrix, conception of hardness matrix like spring power and displacement, governed equation of an elastic body, finite element method, Fortran method and programming such as composition of computer, order of programming and data card and Fortran card, finite element program and application of nonelastic problem.

  1. Conformable variational iteration method

    Directory of Open Access Journals (Sweden)

    Omer Acan

    2017-02-01

    Full Text Available In this study, we introduce the conformable variational iteration method based on new defined fractional derivative called conformable fractional derivative. This new method is applied two fractional order ordinary differential equations. To see how the solutions of this method, linear homogeneous and non-linear non-homogeneous fractional ordinary differential equations are selected. Obtained results are compared the exact solutions and their graphics are plotted to demonstrate efficiency and accuracy of the method.

  2. VALUATION METHODS- LITERATURE REVIEW

    OpenAIRE

    Dorisz Talas

    2015-01-01

    This paper is a theoretical overview of the often used valuation methods with the help of which the value of a firm or its equity is calculated. Many experts (including Aswath Damodaran, Guochang Zhang and CA Hozefa Natalwala) classify the methods. The basic models are based on discounted cash flows. The main method uses the free cash flow for valuation, but there are some newer methods that reveal and correct the weaknesses of the traditional models. The valuation of flexibility of managemen...

  3. Mixed methods research.

    Science.gov (United States)

    Halcomb, Elizabeth; Hickman, Louise

    2015-04-08

    Mixed methods research involves the use of qualitative and quantitative data in a single research project. It represents an alternative methodological approach, combining qualitative and quantitative research approaches, which enables nurse researchers to explore complex phenomena in detail. This article provides a practical overview of mixed methods research and its application in nursing, to guide the novice researcher considering a mixed methods research project.

  4. Possibilities of roentgenological method

    International Nuclear Information System (INIS)

    Sivash, Eh.S.; Sal'man, M.M.

    1980-01-01

    Literary and experimental data on estimating possibilities of roentgenologic investigations using an electron optical amplifier, X-ray television and roentgen cinematography are generalized. Different methods of studying gastro-intestinal tract are compared. The advantage of the roentgenologic method over the endoscopic method after stomach resection is shown [ru

  5. The Generalized Sturmian Method

    DEFF Research Database (Denmark)

    Avery, James Emil

    2011-01-01

    these ideas clearly so that they become more accessible. By bringing together these non-standard methods, the book intends to inspire graduate students, postdoctoral researchers and academics to think of novel approaches. Is there a method out there that we have not thought of yet? Can we design a new method...... generations of researchers were left to work out how to achieve this ambitious goal for molecular systems of ever-increasing size. This book focuses on non-mainstream methods to solve the molecular electronic Schrödinger equation. Each method is based on a set of core ideas and this volume aims to explain...

  6. Mimetic discretization methods

    CERN Document Server

    Castillo, Jose E

    2013-01-01

    To help solve physical and engineering problems, mimetic or compatible algebraic discretization methods employ discrete constructs to mimic the continuous identities and theorems found in vector calculus. Mimetic Discretization Methods focuses on the recent mimetic discretization method co-developed by the first author. Based on the Castillo-Grone operators, this simple mimetic discretization method is invariably valid for spatial dimensions no greater than three. The book also presents a numerical method for obtaining corresponding discrete operators that mimic the continuum differential and

  7. DOE methods compendium

    International Nuclear Information System (INIS)

    Leasure, C.S.

    1992-01-01

    The Department of Energy (DOE) has established an analytical methods compendium development program to integrate its environmental analytical methods. This program is administered through DOE's Laboratory Management Division (EM-563). The primary objective of this program is to assemble a compendium of analytical chemistry methods of known performance for use by all DOE Environmental Restoration and Waste Management program. This compendium will include methods for sampling, field screening, fixed analytical laboratory and mobile analytical laboratory analyses. It will also include specific guidance on the proper selection of appropriate sampling and analytical methods in using specific analytical requirements

  8. Methods for assessing geodiversity

    Science.gov (United States)

    Zwoliński, Zbigniew; Najwer, Alicja; Giardino, Marco

    2017-04-01

    The accepted systematics of geodiversity assessment methods will be presented in three categories: qualitative, quantitative and qualitative-quantitative. Qualitative methods are usually descriptive methods that are suited to nominal and ordinal data. Quantitative methods use a different set of parameters and indicators to determine the characteristics of geodiversity in the area being researched. Qualitative-quantitative methods are a good combination of the collection of quantitative data (i.e. digital) and cause-effect data (i.e. relational and explanatory). It seems that at the current stage of the development of geodiversity research methods, qualitative-quantitative methods are the most advanced and best assess the geodiversity of the study area. Their particular advantage is the integration of data from different sources and with different substantive content. Among the distinguishing features of the quantitative and qualitative-quantitative methods for assessing geodiversity are their wide use within geographic information systems, both at the stage of data collection and data integration, as well as numerical processing and their presentation. The unresolved problem for these methods, however, is the possibility of their validation. It seems that currently the best method of validation is direct filed confrontation. Looking to the next few years, the development of qualitative-quantitative methods connected with cognitive issues should be expected, oriented towards ontology and the Semantic Web.

  9. Methods of Software Verification

    Directory of Open Access Journals (Sweden)

    R. E. Gurin

    2015-01-01

    Full Text Available This article is devoted to the problem of software verification (SW. Methods of software verification designed to check the software for compliance with the stated requirements such as correctness, system security and system adaptability to small changes in the environment, portability and compatibility, etc. These are various methods both by the operation process and by the way of achieving result. The article describes the static and dynamic methods of software verification and paid attention to the method of symbolic execution. In its review of static analysis are discussed and described the deductive method, and methods for testing the model. A relevant issue of the pros and cons of a particular method is emphasized. The article considers classification of test techniques for each method. In this paper we present and analyze the characteristics and mechanisms of the static analysis of dependencies, as well as their views, which can reduce the number of false positives in situations where the current state of the program combines two or more states obtained both in different paths of execution and in working with multiple object values. Dependences connect various types of software objects: single variables, the elements of composite variables (structure fields, array elements, the size of the heap areas, the length of lines, the number of initialized array elements in the verification code using static methods. The article pays attention to the identification of dependencies within the framework of the abstract interpretation, as well as gives an overview and analysis of the inference tools.Methods of dynamic analysis such as testing, monitoring and profiling are presented and analyzed. Also some kinds of tools are considered which can be applied to the software when using the methods of dynamic analysis. Based on the work a conclusion is drawn, which describes the most relevant problems of analysis techniques, methods of their solutions and

  10. Radiometric dating methods

    International Nuclear Information System (INIS)

    Bourdon, B.

    2003-01-01

    The general principle of isotope dating methods is based on the presence of radioactive isotopes in the geologic or archaeological object to be dated. The decay with time of these isotopes is used to determine the 'zero' time corresponding to the event to be dated. This paper recalls the general principle of isotope dating methods (bases, analytical methods, validation of results and uncertainties) and presents the methods based on natural radioactivity (Rb-Sr, Sm-Nd, U-Pb, Re-Os, K-Ar (Ar-Ar), U-Th-Ra- 210 Pb, U-Pa, 14 C, 36 Cl, 10 Be) and the methods based on artificial radioactivity with their applications. Finally, the methods based on irradiation damages (thermoluminescence, fission tracks, electron spin resonance) are briefly evoked. (J.S.)

  11. Performative Schizoid Method

    DEFF Research Database (Denmark)

    Svabo, Connie

    2016-01-01

    is presented and an example is provided of a first exploratory engagement with it. The method is used in a specific project Becoming Iris, making inquiry into arts-based knowledge creation during a three month visiting scholarship at a small, independent visual art academy. Using the performative schizoid......A performative schizoid method is developed as a method contribution to performance as research. The method is inspired by contemporary research in the human and social sciences urging experimentation and researcher engagement with creative and artistic practice. In the article, the method...... method in Becoming Iris results in four audio-visual and performance-based productions, centered on an emergent theme of the scholartist as a bird in borrowed feathers. Interestingly, the moral lesson of the fable about the vain jackdaw, who dresses in borrowed peacock feathers and becomes a castout...

  12. Angular correlation methods

    International Nuclear Information System (INIS)

    Ferguson, A.J.

    1974-01-01

    An outline of the theory of angular correlations is presented, and the difference between the modern density matrix method and the traditional wave function method is stressed. Comments are offered on particular angular correlation theoretical techniques. A brief discussion is given of recent studies of gamma ray angular correlations of reaction products recoiling with high velocity into vacuum. Two methods for optimization to obtain the most accurate expansion coefficients of the correlation are discussed. (1 figure, 53 references) (U.S.)

  13. Maximum Quantum Entropy Method

    OpenAIRE

    Sim, Jae-Hoon; Han, Myung Joon

    2018-01-01

    Maximum entropy method for analytic continuation is extended by introducing quantum relative entropy. This new method is formulated in terms of matrix-valued functions and therefore invariant under arbitrary unitary transformation of input matrix. As a result, the continuation of off-diagonal elements becomes straightforward. Without introducing any further ambiguity, the Bayesian probabilistic interpretation is maintained just as in the conventional maximum entropy method. The applications o...

  14. Rossi Alpha Method

    International Nuclear Information System (INIS)

    Hansen, G.E.

    1985-01-01

    The Rossi Alpha Method has proved to be valuable for the determination of prompt neutron lifetimes in fissile assemblies having known reproduction numbers at or near delayed critical. This workshop report emphasizes the pioneering applications of the method by Dr. John D. Orndoff to fast-neutron critical assemblies at Los Alamos. The value of the method appears to disappear for subcritical systems where the Rossi-α is no longer an α-eigenvalue

  15. Qualitative methods textbooks

    OpenAIRE

    Barndt, William

    2003-01-01

    Over the past few years, the number of political science departments offering qualitative methods courses has grown substantially. The number of qualitative methods textbooks has kept pace, providing instructors with an overwhelming array of choices. But how to decide which text to choose from this exhortatory smorgasbord? The scholarship desperately needs evaluated. Yet the task is not entirely straightforward: qualitative methods textbooks reflect the diversity inherent in qualitative metho...

  16. The Box Method

    DEFF Research Database (Denmark)

    Nielsen, Peter Vilhelm

    The velocity level in a room ventilated by jet ventilation is strongly influenced by the supply conditions. The momentum flow in the supply jets controls the air movement in the room and, therefore, it is very important that the inlet conditions and the numerical method can generate a satisfactor...... description of this momentum flow. The Box Method is a practical method for the description of an Air Terminal Device which will save grid points and ensure the right level of the momentum flow....

  17. Applied Bayesian hierarchical methods

    National Research Council Canada - National Science Library

    Congdon, P

    2010-01-01

    ... . . . . . . . . . . . . . . . . . . . . . . . . . . . 1.2 Posterior Inference from Bayes Formula . . . . . . . . . . . . 1.3 Markov Chain Monte Carlo Sampling in Relation to Monte Carlo Methods: Obtaining Posterior...

  18. [Methods of quantitative proteomics].

    Science.gov (United States)

    Kopylov, A T; Zgoda, V G

    2007-01-01

    In modern science proteomic analysis is inseparable from other fields of systemic biology. Possessing huge resources quantitative proteomics operates colossal information on molecular mechanisms of life. Advances in proteomics help researchers to solve complex problems of cell signaling, posttranslational modification, structure and functional homology of proteins, molecular diagnostics etc. More than 40 various methods have been developed in proteomics for quantitative analysis of proteins. Although each method is unique and has certain advantages and disadvantages all these use various isotope labels (tags). In this review we will consider the most popular and effective methods employing both chemical modifications of proteins and also metabolic and enzymatic methods of isotope labeling.

  19. Methods in ALFA Alignment

    CERN Document Server

    Melendez, Jordan

    2014-01-01

    This note presents two model-independent methods for use in the alignment of the ALFA forward detectors. Using a Monte Carlo simulated LHC run at \\beta = 90m and \\sqrt{s} = 7 TeV, the Kinematic Peak alignment method is utilized to reconstruct the Mandelstam momentum transfer variable t for single-diractive protons. The Hot Spot method uses fluctuations in the hitmap density to pinpoint particular regions in the detector that could signal a misalignment. Another method uses an error function fit to find the detector edge. With this information, the vertical alignment can be determined.

  20. Method of chronokinemetrical invariants

    International Nuclear Information System (INIS)

    Vladimirov, Yu.S.; Shelkovenko, A.Eh.

    1976-01-01

    A particular case of a general dyadic method - the method of chronokinemetric invariants is formulated. The time-like dyad vector is calibrated in a chronometric way, and the space-like vector - in a kinemetric way. Expressions are written for the main physical-geometrical values of the dyadic method and for differential operators. The method developed may be useful for predetermining the reference system of a single observer, and also for studying problems connected with emission and absorption of gravitational and electromagnetic waves [ru

  1. Nondestructive testing method

    International Nuclear Information System (INIS)

    Porter, J.F.

    1996-01-01

    Nondestructive testing (NDT) is the use of physical and chemical methods for evaluating material integrity without impairing its intended usefulness or continuing service. Nondestructive tests are used by manufaturer's for the following reasons: 1) to ensure product reliability; 2) to prevent accidents and save human lives; 3) to aid in better product design; 4) to control manufacturing processes; and 5) to maintain a uniform quality level. Nondestructive testing is used extensively on power plants, oil and chemical refineries, offshore oil rigs and pipeline (NDT can even be conducted underwater), welds on tanks, boilers, pressure vessels and heat exchengers. NDT is now being used for testing concrete and composite materials. Because of the criticality of its application, NDT should be performed and the results evaluated by qualified personnel. There are five basic nondestructive examination methods: 1) liquid penetrant testing - method used for detecting surface flaws in materials. This method can be used for metallic and nonmetallic materials, portable and relatively inexpensive. 2) magnetic particle testing - method used to detect surface and subsurface flaws in ferromagnetic materials; 3) radiographic testing - method used to detect internal flaws and significant variation in material composition and thickness; 4) ultrasonic testing - method used to detect internal and external flaws in materials. This method uses ultrasonics to measure thickness of a material or to examine the internal structure for discontinuities. 5) eddy current testing - method used to detect surface and subsurface flaws in conductive materials. Not one nondestructive examination method can find all discontinuities in all of the materials capable of being tested. The most important consideration is for the specifier of the test to be familiar with the test method and its applicability to the type and geometry of the material and the flaws to be detected

  2. Methods for data classification

    Science.gov (United States)

    Garrity, George [Okemos, MI; Lilburn, Timothy G [Front Royal, VA

    2011-10-11

    The present invention provides methods for classifying data and uncovering and correcting annotation errors. In particular, the present invention provides a self-organizing, self-correcting algorithm for use in classifying data. Additionally, the present invention provides a method for classifying biological taxa.

  3. Computational methods working group

    International Nuclear Information System (INIS)

    Gabriel, T.A.

    1997-09-01

    During the Cold Moderator Workshop several working groups were established including one to discuss calculational methods. The charge for this working group was to identify problems in theory, data, program execution, etc., and to suggest solutions considering both deterministic and stochastic methods including acceleration procedures.

  4. Method for exchanging data

    NARCIS (Netherlands)

    2014-01-01

    The present invention relates to a method for exchanging data between at least two servers with use of a gateway. Preferably the method is applied to healthcare systems. Each server holds a unique federated identifier, which identifier identifies a single patient (P). Thus, it is possible for the

  5. WWW: The Scientific Method

    Science.gov (United States)

    Blystone, Robert V.; Blodgett, Kevin

    2006-01-01

    The scientific method is the principal methodology by which biological knowledge is gained and disseminated. As fundamental as the scientific method may be, its historical development is poorly understood, its definition is variable, and its deployment is uneven. Scientific progress may occur without the strictures imposed by the formal…

  6. Methods of numerical relativity

    International Nuclear Information System (INIS)

    Piran, T.

    1983-01-01

    Numerical Relativity is an alternative to analytical methods for obtaining solutions for Einstein equations. Numerical methods are particularly useful for studying generation of gravitational radiation by potential strong sources. The author reviews the analytical background, the numerical analysis aspects and techniques and some of the difficulties involved in numerical relativity. (Auth.)

  7. Differential equation method

    International Nuclear Information System (INIS)

    Kotikov, A.V.

    1993-01-01

    A new method of massive Feynman diagrams calculation is presented. It provides a fairly simple procedure to obtain the result without the D-space integral calculation (for the dimensional regularization). Some diagrams are calculated as an illustration of this method capacities. (author). 7 refs

  8. DISCOURSE ON METHODS.

    Science.gov (United States)

    BOUCHER, JOHN G.

    THE AUTHOR STATES THAT BEFORE PRESENT FOREIGN LANGUAGE TEACHING METHODS CAN BE DISCUSSED INTELLIGENTLY, THE RESEARCH IN PSYCHOLOGY AND LINGUISTICS WHICH HAS INFLUENCED THE DEVELOPMENT OF THESE METHODS MUST BE CONSIDERED. MANY FOREIGN LANGUAGE TEACHERS WERE BEGINNING TO FEEL COMFORTABLE WITH THE AUDIOLINGUAL APPROACH WHEN NOAM CHOMSKY, IN HIS 1966…

  9. Research Methods in Education

    Science.gov (United States)

    Check, Joseph; Schutt, Russell K.

    2011-01-01

    "Research Methods in Education" introduces research methods as an integrated set of techniques for investigating questions about the educational world. This lively, innovative text helps students connect technique and substance, appreciate the value of both qualitative and quantitative methodologies, and make ethical research decisions.…

  10. Attribute-Based Methods

    Science.gov (United States)

    Thomas P. Holmes; Wiktor L. Adamowicz

    2003-01-01

    Stated preference methods of environmental valuation have been used by economists for decades where behavioral data have limitations. The contingent valuation method (Chapter 5) is the oldest stated preference approach, and hundreds of contingent valuation studies have been conducted. More recently, and especially over the last decade, a class of stated preference...

  11. Proven Weight Loss Methods

    Science.gov (United States)

    Fact Sheet Proven Weight Loss Methods What can weight loss do for you? Losing weight can improve your health in a number of ways. It can lower ... at www.hormone.org/Spanish . Proven Weight Loss Methods Fact Sheet www.hormone.org

  12. Radiation borehole logging method

    International Nuclear Information System (INIS)

    Wylie, A.; Mathew, P.J.

    1977-01-01

    A method of obtaining an indication of the diameter of a borehole is described. The method comprises subjecting the walls of the borehole to monoenergetic gamma radiation and making measurements of the intensity of gamma radiation backscattered from the walls. The energy of the radiation is sufficiently high for the shape to be substantially independent of the density and composition of the borehole walls

  13. Isotope methods in hydrology

    International Nuclear Information System (INIS)

    Moser, H.; Rauert, W.

    1980-01-01

    Of the investigation methods used in hydrology, tracer methods hold a special place as they are the only ones which give direct insight into the movement and distribution processes taking place in surface and ground waters. Besides the labelling of water with salts and dyes, as in the past, in recent years the use of isotopes in hydrology, in water research and use, in ground-water protection and in hydraulic engineering has increased. This by no means replaces proven methods of hydrological investigation but tends rather to complement and expand them through inter-disciplinary cooperation. The book offers a general introduction to the application of various isotope methods to specific hydrogeological and hydrological problems. The idea is to place the hydrogeologist and the hydrologist in the position to recognize which isotope method will help him solve his particular problem or indeed, make a solution possible at all. He should also be able to recognize what the prerequisites are and what work and expenditure the use of such methods involves. May the book contribute to promoting cooperation between hydrogeologists, hydrologists, hydraulic engineers and isotope specialists, and thus supplement proven methods of investigation in hydrological research and water utilization and protection wherever the use of isotope methods proves to be of advantage. (orig./HP) [de

  14. Essential numerical computer methods

    CERN Document Server

    Johnson, Michael L

    2010-01-01

    The use of computers and computational methods has become ubiquitous in biological and biomedical research. During the last 2 decades most basic algorithms have not changed, but what has is the huge increase in computer speed and ease of use, along with the corresponding orders of magnitude decrease in cost. A general perception exists that the only applications of computers and computer methods in biological and biomedical research are either basic statistical analysis or the searching of DNA sequence data bases. While these are important applications they only scratch the surface of the current and potential applications of computers and computer methods in biomedical research. The various chapters within this volume include a wide variety of applications that extend far beyond this limited perception. As part of the Reliable Lab Solutions series, Essential Numerical Computer Methods brings together chapters from volumes 210, 240, 321, 383, 384, 454, and 467 of Methods in Enzymology. These chapters provide ...

  15. Adaptive method of lines

    CERN Document Server

    Saucez, Ph

    2001-01-01

    The general Method of Lines (MOL) procedure provides a flexible format for the solution of all the major classes of partial differential equations (PDEs) and is particularly well suited to evolutionary, nonlinear wave PDEs. Despite its utility, however, there are relatively few texts that explore it at a more advanced level and reflect the method''s current state of development.Written by distinguished researchers in the field, Adaptive Method of Lines reflects the diversity of techniques and applications related to the MOL. Most of its chapters focus on a particular application but also provide a discussion of underlying philosophy and technique. Particular attention is paid to the concept of both temporal and spatial adaptivity in solving time-dependent PDEs. Many important ideas and methods are introduced, including moving grids and grid refinement, static and dynamic gridding, the equidistribution principle and the concept of a monitor function, the minimization of a functional, and the moving finite elem...

  16. Bayesian Monte Carlo method

    International Nuclear Information System (INIS)

    Rajabalinejad, M.

    2010-01-01

    To reduce cost of Monte Carlo (MC) simulations for time-consuming processes, Bayesian Monte Carlo (BMC) is introduced in this paper. The BMC method reduces number of realizations in MC according to the desired accuracy level. BMC also provides a possibility of considering more priors. In other words, different priors can be integrated into one model by using BMC to further reduce cost of simulations. This study suggests speeding up the simulation process by considering the logical dependence of neighboring points as prior information. This information is used in the BMC method to produce a predictive tool through the simulation process. The general methodology and algorithm of BMC method are presented in this paper. The BMC method is applied to the simplified break water model as well as the finite element model of 17th Street Canal in New Orleans, and the results are compared with the MC and Dynamic Bounds methods.

  17. Methods in Modern Biophysics

    CERN Document Server

    Nölting, Bengt

    2006-01-01

    Incorporating recent dramatic advances, this textbook presents a fresh and timely introduction to modern biophysical methods. An array of new, faster and higher-power biophysical methods now enables scientists to examine the mysteries of life at a molecular level. This innovative text surveys and explains the ten key biophysical methods, including those related to biophysical nanotechnology, scanning probe microscopy, X-ray crystallography, ion mobility spectrometry, mass spectrometry, proteomics, and protein folding and structure. Incorporating much information previously unavailable in tutorial form, Nölting employs worked examples and 267 illustrations to fully detail the techniques and their underlying mechanisms. Methods in Modern Biophysics is written for advanced undergraduate and graduate students, postdocs, researchers, lecturers and professors in biophysics, biochemistry and related fields. Special features in the 2nd edition: • Illustrates the high-resolution methods for ultrashort-living protei...

  18. The surface analysis methods

    International Nuclear Information System (INIS)

    Deville, J.P.

    1998-01-01

    Nowadays, there are a lot of surfaces analysis methods, each having its specificity, its qualities, its constraints (for instance vacuum) and its limits. Expensive in time and in investment, these methods have to be used deliberately. This article appeals to non specialists. It gives some elements of choice according to the studied information, the sensitivity, the use constraints or the answer to a precise question. After having recalled the fundamental principles which govern these analysis methods, based on the interaction between radiations (ultraviolet, X) or particles (ions, electrons) with matter, two methods will be more particularly described: the Auger electron spectroscopy (AES) and x-rays photoemission spectroscopy (ESCA or XPS). Indeed, they are the most widespread methods in laboratories, the easier for use and probably the most productive for the analysis of surface of industrial materials or samples submitted to treatments in aggressive media. (O.M.)

  19. Cooperative method development

    DEFF Research Database (Denmark)

    Dittrich, Yvonne; Rönkkö, Kari; Eriksson, Jeanette

    2008-01-01

    The development of methods tools and process improvements is best to be based on the understanding of the development practice to be supported. Qualitative research has been proposed as a method for understanding the social and cooperative aspects of software development. However, qualitative...... research is not easily combined with the improvement orientation of an engineering discipline. During the last 6 years, we have applied an approach we call `cooperative method development', which combines qualitative social science fieldwork, with problem-oriented method, technique and process improvement....... The action research based approach focusing on shop floor software development practices allows an understanding of how contextual contingencies influence the deployment and applicability of methods, processes and techniques. This article summarizes the experiences and discusses the further development...

  20. Engaging with mobile methods

    DEFF Research Database (Denmark)

    Jensen, Martin Trandberg

    2014-01-01

    This chapter showcases how mobile methods are more than calibrated techniques awaiting application by tourism researchers, but productive in the enactment of the mobile (Law and Urry, 2004). Drawing upon recent findings deriving from a PhD course on mobility and mobile methods it reveals...... the conceptual ambiguousness of the term ‘mobile methods’. In order to explore this ambiguousness the chapter provides a number of examples deriving from tourism research, to explore how mobile methods are always entangled in ideologies, predispositions, conventions and practice-realities. Accordingly......, the engagements with methods are acknowledged to be always political and contextual, reminding us to avoid essentialist discussions regarding research methods. Finally, the chapter draws on recent fieldwork to extend developments in mobilities-oriented tourism research, by employing auto-ethnography to call...

  1. Determination method of radiostrontium

    International Nuclear Information System (INIS)

    1984-01-01

    This manual provides determination methods of strontium-90 and strontium-89 in the environment released from nuclear facilities, and it is a revised edition of the previous manual published in 1974. As for the preparation method of radiation counting sample, ion exchange method, oxalate separation method and solvent extraction method were adopted in addition to the method of fuming nitric acid separation adopted in the previous edition. Strontium-90 is determined by the separation and radioactivity determination of yttrium-90 in radioequilibrium with strontium-90. Strontium-89 is determined by subtraction of radioactivity of strontium-90 plus yttrium-90 from gross radioactivity of isolated strontium carbonate. Radioactivity determination should be carried out with a low-background 2 π-gas-flow counting system for the mounted sample on a filter having a chemical form of ferric hydroxide, yttrium oxalate or strontium carbonate. This manual describes sample preparation procedures as well as radioactivity counting procedures for environmental samples of precipitates as rain or snow, airborne dust, fresh water, sea water and soil, and also for ash sample made from biological or food samples such as grains, vegetables, tea leaves, pine needle, milk, marine organisms, and total diet, by employing a method of fuming nitric acid separation, ion exchange separation, oxalate precipitate separation or solvent extraction separation (only for an ash sample). Procedures for reagent chemicals preparation is also attached to this manual. (Takagi, S.)

  2. Basics of Bayesian methods.

    Science.gov (United States)

    Ghosh, Sujit K

    2010-01-01

    Bayesian methods are rapidly becoming popular tools for making statistical inference in various fields of science including biology, engineering, finance, and genetics. One of the key aspects of Bayesian inferential method is its logical foundation that provides a coherent framework to utilize not only empirical but also scientific information available to a researcher. Prior knowledge arising from scientific background, expert judgment, or previously collected data is used to build a prior distribution which is then combined with current data via the likelihood function to characterize the current state of knowledge using the so-called posterior distribution. Bayesian methods allow the use of models of complex physical phenomena that were previously too difficult to estimate (e.g., using asymptotic approximations). Bayesian methods offer a means of more fully understanding issues that are central to many practical problems by allowing researchers to build integrated models based on hierarchical conditional distributions that can be estimated even with limited amounts of data. Furthermore, advances in numerical integration methods, particularly those based on Monte Carlo methods, have made it possible to compute the optimal Bayes estimators. However, there is a reasonably wide gap between the background of the empirically trained scientists and the full weight of Bayesian statistical inference. Hence, one of the goals of this chapter is to bridge the gap by offering elementary to advanced concepts that emphasize linkages between standard approaches and full probability modeling via Bayesian methods.

  3. Methods in mummy research

    DEFF Research Database (Denmark)

    Lynnerup, Niels

    2009-01-01

    Mummies are human remains with preservation of non-bony tissue. Many mummy studies focus on the development and application of non-destructive methods for examining mummies, including radiography, CT-scanning with advanced 3-dimensional visualisations, and endoscopic techniques, as well as minima......Mummies are human remains with preservation of non-bony tissue. Many mummy studies focus on the development and application of non-destructive methods for examining mummies, including radiography, CT-scanning with advanced 3-dimensional visualisations, and endoscopic techniques, as well...... as minimally-destructive chemical, physical and biological methods for, e.g., stable isotopes, trace metals and DNA....

  4. Montessori Method and ICTs

    Directory of Open Access Journals (Sweden)

    Athanasios Drigas

    2016-03-01

    Full Text Available This article bridges the gap between the Montessori Method and Information and Communication Technologies (ICTs in contemporary education. It reviews recent research works which recall the Montessori philosophy, principles and didactical tools applying to today’s computers and supporting technologies in children’s learning process. This article reviews how important the stimulation of human senses in the learning process is, as well as the development of Montessori materials using the body and the hand in particular, all according to the Montessori Method along with recent researches over ICTs. Montessori Method within information society age acquires new perspectives, new functionality and new efficacy.

  5. Rubidium-strontium method

    International Nuclear Information System (INIS)

    Dubansky, A.

    1980-01-01

    The rubidium-strontium geological dating method is based on the determination of the Rb and Sr isotope ratio in rocks, mainly using mass spectrometry. The method is only practical for silicate minerals and rocks, potassium feldspars and slates. Also described is the rubidium-strontium isochrone method. This, however, requires a significant amount of experimental data and an analysis of large quantities of samples, often of the order of tons. The results are tabulated of rubidium-strontium dating of geological formations in the Czech Socialist Republic. (M.S.)

  6. Structural Reliability Methods

    DEFF Research Database (Denmark)

    Ditlevsen, Ove Dalager; Madsen, H. O.

    The structural reliability methods quantitatively treat the uncertainty of predicting the behaviour and properties of a structure given the uncertain properties of its geometry, materials, and the actions it is supposed to withstand. This book addresses the probabilistic methods for evaluation...... of structural reliability, including the theoretical basis for these methods. Partial safety factor codes under current practice are briefly introduced and discussed. A probabilistic code format for obtaining a formal reliability evaluation system that catches the most essential features of the nature...... of the uncertainties and their interplay is the developed, step-by-step. The concepts presented are illustrated by numerous examples throughout the text....

  7. Catalytic reforming methods

    Science.gov (United States)

    Tadd, Andrew R; Schwank, Johannes

    2013-05-14

    A catalytic reforming method is disclosed herein. The method includes sequentially supplying a plurality of feedstocks of variable compositions to a reformer. The method further includes adding a respective predetermined co-reactant to each of the plurality of feedstocks to obtain a substantially constant output from the reformer for the plurality of feedstocks. The respective predetermined co-reactant is based on a C/H/O atomic composition for a respective one of the plurality of feedstocks and a predetermined C/H/O atomic composition for the substantially constant output.

  8. Nuclear physics mathematical methods

    International Nuclear Information System (INIS)

    Balian, R.; Gervois, A.; Giannoni, M.J.; Levesque, D.; Maille, M.

    1984-01-01

    The nuclear physics mathematical methods, applied to the collective motion theory, to the reduction of the degrees of freedom and to the order and disorder phenomena; are investigated. In the scope of the study, the following aspects are discussed: the entropy of an ensemble of collective variables; the interpretation of the dissipation, applying the information theory; the chaos and the universality; the Monte-Carlo method applied to the classical statistical mechanics and quantum mechanics; the finite elements method, and the classical ergodicity [fr

  9. Methods for RNA Analysis

    DEFF Research Database (Denmark)

    Olivarius, Signe

    of the transcriptome, 5’ end capture of RNA is combined with next-generation sequencing for high-throughput quantitative assessment of transcription start sites by two different methods. The methods presented here allow for functional investigation of coding as well as noncoding RNA and contribute to future...... RNAs rely on interactions with proteins, the establishment of protein-binding profiles is essential for the characterization of RNAs. Aiming to facilitate RNA analysis, this thesis introduces proteomics- as well as transcriptomics-based methods for the functional characterization of RNA. First, RNA...

  10. Electromigration method in radiochemistry

    International Nuclear Information System (INIS)

    Makarova, T.P.; Stepanov, A.V.

    1977-01-01

    Investigations are reviewd of the period 1969-1975 accomplished by such methods as zonal electrophoresis in countercurrent, focusing electrophoresis, isotachophoresis, electrophoresis with elution, continuous two-dimensional electrophoresis. Since the methods considered are based on the use of porous fillers for stabilizing the medium, some attention is given to the effect of the solid-solution interface on the shape and rate of motion of the zones of the rare-earth elements investigated, Sr and others. The trend of developing electrophoresis as a method for obtaining high-purity elements is emphasized

  11. Numerical methods using Matlab

    CERN Document Server

    Lindfield, George

    2012-01-01

    Numerical Methods using MATLAB, 3e, is an extensive reference offering hundreds of useful and important numerical algorithms that can be implemented into MATLAB for a graphical interpretation to help researchers analyze a particular outcome. Many worked examples are given together with exercises and solutions to illustrate how numerical methods can be used to study problems that have applications in the biosciences, chaos, optimization, engineering and science across the board. Numerical Methods using MATLAB, 3e, is an extensive reference offering hundreds of use

  12. Model Correction Factor Method

    DEFF Research Database (Denmark)

    Christensen, Claus; Randrup-Thomsen, Søren; Morsing Johannesen, Johannes

    1997-01-01

    The model correction factor method is proposed as an alternative to traditional polynomial based response surface techniques in structural reliability considering a computationally time consuming limit state procedure as a 'black box'. The class of polynomial functions is replaced by a limit...... of the model correction factor method, is that in simpler form not using gradient information on the original limit state function or only using this information once, a drastic reduction of the number of limit state evaluation is obtained together with good approximations on the reliability. Methods...

  13. Imaging methods in otorhinolaryngology

    International Nuclear Information System (INIS)

    Frey, K.W.; Mees, K.; Vogl, T.

    1989-01-01

    This book is the work of an otorhinolaryngologist and two radiologists, who combined their experience and efforts in order to solve a great variety and number of problems encountered in practical work, taking into account the latest technical potentials and the practical feasibility, which is determined by the equipment available. Every chapter presents the full range of diagnostic methods applicable, starting with the suitable plain radiography methods and proceeding to the various tomographic scanning methods, including conventional tomography. Every technique is assessed in terms of diagnostic value and drawbacks. (orig./MG) With 778 figs [de

  14. Generalized subspace correction methods

    Energy Technology Data Exchange (ETDEWEB)

    Kolm, P. [Royal Institute of Technology, Stockholm (Sweden); Arbenz, P.; Gander, W. [Eidgenoessiche Technische Hochschule, Zuerich (Switzerland)

    1996-12-31

    A fundamental problem in scientific computing is the solution of large sparse systems of linear equations. Often these systems arise from the discretization of differential equations by finite difference, finite volume or finite element methods. Iterative methods exploiting these sparse structures have proven to be very effective on conventional computers for a wide area of applications. Due to the rapid development and increasing demand for the large computing powers of parallel computers, it has become important to design iterative methods specialized for these new architectures.

  15. On the singlet projector and the monodromy relation for psu(2,2|4) spin chains and reduction to subsectors

    International Nuclear Information System (INIS)

    Kazama, Yoichi; Komatsu, Shota; Nishimura, Takuya

    2015-01-01

    As a step toward uncovering the relation between the weak and the strong coupling regimes of the N=4 super Yang-Mills theory beyond the spectral level, we have developed in a previous paper [arXiv:1410.8533] a novel group theoretic interpretation of the Wick contraction of the fields, which allowed us to compute a much more general class of three-point functions in the SU(2) sector, as in the case of strong coupling [arXiv:1312.3727], directly in terms of the determinant representation of the partial domain wall partition function. Furthermore, we derived a non-trivial identity for the three point functions with monodromy operators inserted, being the discrete counterpart of the global monodromy condition which played such a crucial role in the computation at strong coupling. In this companion paper, we shall extend our study to the entire psu(2,2|4) sector and obtain several important generalizations. They include in particular (i) the manifestly conformally covariant construction, from the basic principle, of the singlet-projection operator for performing the Wick contraction and (ii) the derivation of the monodromy relation for the case of the so-called “harmonic R-matrix”, as well as for the usual fundamental R-matrtix. The former case, which is new and has features rather different from the latter, is expected to have important applications. We also describe how the form of the monodromy relation is modified as psu(2,2|4) is reduced to its subsectors.

  16. Demonstrations of Wave Optics (Interference and Diffraction of Light) for Large Audiences Using a Laser and a Multimedia Projector

    Science.gov (United States)

    Ivanov, Dragia; Nikolov, Stefan

    2011-01-01

    This article presents a new technique for performing most well-known demonstrations of wave optics. Demonstrations which are normally very hard to show to more than a few people can be presented easily to very large audiences with excellent visibility for everyone. The proposed setup is easy to put together and use and can be very useful for…

  17. Concrete compositions and methods

    Science.gov (United States)

    Chen, Irvin; Lee, Patricia Tung; Patterson, Joshua

    2015-06-23

    Provided herein are compositions, methods, and systems for cementitious compositions containing calcium carbonate compositions and aggregate. The compositions find use in a variety of applications, including use in a variety of building materials and building applications.

  18. Ensemble Data Mining Methods

    Science.gov (United States)

    Oza, Nikunj C.

    2004-01-01

    Ensemble Data Mining Methods, also known as Committee Methods or Model Combiners, are machine learning methods that leverage the power of multiple models to achieve better prediction accuracy than any of the individual models could on their own. The basic goal when designing an ensemble is the same as when establishing a committee of people: each member of the committee should be as competent as possible, but the members should be complementary to one another. If the members are not complementary, Le., if they always agree, then the committee is unnecessary---any one member is sufficient. If the members are complementary, then when one or a few members make an error, the probability is high that the remaining members can correct this error. Research in ensemble methods has largely revolved around designing ensembles consisting of competent yet complementary models.

  19. Diagnostic method and reagent

    International Nuclear Information System (INIS)

    Edgington, T.S.; Plow, E.F.

    1979-01-01

    The discovery of an isomeric species of carcinoembryonic antigen and methods of isolation, identification and utilization as a radiolabelled species of the same as an aid in the diagnosis of adenocarcinomas of the gastrointestinal tract are disclosed. 13 claims

  20. Methods of dating

    Energy Technology Data Exchange (ETDEWEB)

    Gatty, B

    1986-04-01

    Scientific methods of dating, born less than thirty years ago, have recently improved tremendously. First the dating principles will be given; then it will be explained how, through natural radioactivity, we can have access to the age of an event or an object; the case of radiocarbon will be especially emphasized. The principle of relative methods such as thermoluminescence or paleomagnetism will also be shortly given. What is the use for dating. The fields of its application are numerous; through these methods, relatively precise ages can be given to the major events which have been keys in the history of universe, life and man; thus, dating is a useful scientific tool in astrophysics, geology, biology, anthropology and archeology. Even if certain ages are still subject to controversies, we can say that these methods have confirmed evolution's continuity, be it on a cosmic, biologic or human scale, where ages are measured in billions, millions or thousands of years respectively.

  1. Energy consumption assessment methods

    Energy Technology Data Exchange (ETDEWEB)

    Sutherland, K S

    1975-01-01

    The why, what, and how-to aspects of energy audits for industrial plants, and the application of energy accounting methods to a chemical plant in order to assess energy conservation possibilities are discussed. (LCL)

  2. Stochastic optimization methods

    CERN Document Server

    Marti, Kurt

    2005-01-01

    Optimization problems arising in practice involve random parameters. For the computation of robust optimal solutions, i.e., optimal solutions being insensitive with respect to random parameter variations, deterministic substitute problems are needed. Based on the distribution of the random data, and using decision theoretical concepts, optimization problems under stochastic uncertainty are converted into deterministic substitute problems. Due to the occurring probabilities and expectations, approximative solution techniques must be applied. Deterministic and stochastic approximation methods and their analytical properties are provided: Taylor expansion, regression and response surface methods, probability inequalities, First Order Reliability Methods, convex approximation/deterministic descent directions/efficient points, stochastic approximation methods, differentiation of probability and mean value functions. Convergence results of the resulting iterative solution procedures are given.

  3. Predictive Methods of Pople

    Indian Academy of Sciences (India)

    Chemistry for their pioneering contri butions to the development of computational methods in quantum chemistry and density functional theory .... program of Pop Ie for ab-initio electronic structure calculation of molecules. This ab-initio MO ...

  4. Methods for cellobiosan utilization

    Energy Technology Data Exchange (ETDEWEB)

    Linger, Jeffrey; Beckham, Gregg T.

    2017-07-11

    Disclosed herein are enzymes useful for the degradation of cellobiosan in materials such a pyrolysis oils. Methods of degrading cellobiosan using enzymes or organisms expressing the same are also disclosed.

  5. Methods of neutron spectrometry

    International Nuclear Information System (INIS)

    Doerschel, B.

    1981-01-01

    The different methods of neutron spectrometry are based on the direct measurement of neutron velocity or on the use of suitable energy-dependent interaction processes. In the latter case the measuring effect of a detector is connected with the searched neutron spectrum by an integral equation. The solution needs suitable unfolding procedures. The most important methods of neutron spectrometry are the time-of-flight method, the crystal spectrometry, the neutron spectrometry by use of elastic collisions with hydrogen nuclei, and neutron spectrometry with the aid of nuclear reactions, especially of the neutron-induced activation. The advantages and disadvantages of these methods are contrasted considering the resolution, the measurable energy range, the sensitivity, and the experimental and computational efforts. (author)

  6. Methods in Modern Biophysics

    CERN Document Server

    Nölting, Bengt

    2010-01-01

    Incorporating recent dramatic advances, this textbook presents a fresh and timely introduction to modern biophysical methods. An array of new, faster and higher-power biophysical methods now enables scientists to examine the mysteries of life at a molecular level. This innovative text surveys and explains the ten key biophysical methods, including those related to biophysical nanotechnology, scanning probe microscopy, X-ray crystallography, ion mobility spectrometry, mass spectrometry, proteomics, and protein folding and structure. Incorporating much information previously unavailable in tutorial form, Nölting employs worked examples and about 270 illustrations to fully detail the techniques and their underlying mechanisms. Methods in Modern Biophysics is written for advanced undergraduate and graduate students, postdocs, researchers, lecturers, and professors in biophysics, biochemistry and related fields. Special features in the 3rd edition: Introduces rapid partial protein ladder sequencing - an important...

  7. Lean Government Methods Guide

    Science.gov (United States)

    This Guide focuses primarily on Lean production, which is an organizational improvement philosophy and set of methods that originated in manufacturing but has been expanded to government and service sectors.

  8. Number projection method

    International Nuclear Information System (INIS)

    Kaneko, K.

    1987-01-01

    A relationship between the number projection and the shell model methods is investigated in the case of a single-j shell. We can find a one-to-one correspondence between the number projected and the shell model states

  9. Etching method employing radiation

    International Nuclear Information System (INIS)

    Chapman, B.N.; Winters, H.F.

    1982-01-01

    This invention provides a method for etching a silicon oxide, carbide, nitride, or oxynitride surface using an electron or ion beam in the presence of a xenon or krypton fluoride. No additional steps are required after exposure to radiation

  10. GEM simulation methods development

    International Nuclear Information System (INIS)

    Tikhonov, V.; Veenhof, R.

    2002-01-01

    A review of methods used in the simulation of processes in gas electron multipliers (GEMs) and in the accurate calculation of detector characteristics is presented. Such detector characteristics as effective gas gain, transparency, charge collection and losses have been calculated and optimized for a number of GEM geometries and compared with experiment. A method and a new special program for calculations of detector macro-characteristics such as signal response in a real detector readout structure, and spatial and time resolution of detectors have been developed and used for detector optimization. A detailed development of signal induction on readout electrodes and electronics characteristics are included in the new program. A method for the simulation of charging-up effects in GEM detectors is described. All methods show good agreement with experiment

  11. Improved radioanalytical methods

    International Nuclear Information System (INIS)

    Erickson, M.D.; Aldstadt, J.H.; Alvarado, J.S.; Crain, J.S.; Orlandini, K.A.; Smith, L.L.

    1995-01-01

    Methods for the chemical characterization of the environment are being developed under a multitask project for the Analytical Services Division (EM-263) within the US Department of Energy (DOE) Office of Environmental Management. This project focuses on improvement of radioanalytical methods with an emphasis on faster and cheaper routine methods. We have developed improved methods, for separation of environmental levels of technetium-99 and strontium-89/90, radium, and actinides from soil and water; and for separation of actinides from soil and water matrix interferences. Among the novel separation techniques being used are element- and class-specific resins and membranes. (The 3M Corporation is commercializing Empore trademark membranes under a cooperative research and development agreement [CRADA] initiated under this project). We have also developed methods for simultaneous detection of multiple isotopes using inductively coupled plasma-mass spectrometry (ICP-MS). The ICP-MS method requires less rigorous chemical separations than traditional radiochemical analyses because of its mass-selective mode of detection. Actinides and their progeny have been isolated and concentrated from a variety of natural water matrices by using automated batch separation incorporating selective resins prior to ICP-MS analyses. In addition, improvements in detection limits, sample volume, and time of analysis were obtained by using other sample introduction techniques, such as ultrasonic nebulization and electrothermal vaporization. Integration and automation of the separation methods with the ICP-MS methodology by using flow injection analysis is underway, with an objective of automating methods to achieve more reproducible results, reduce labor costs, cut analysis time, and minimize secondary waste generation through miniaturization of the process

  12. Continuation Newton methods

    Czech Academy of Sciences Publication Activity Database

    Axelsson, Owe; Sysala, Stanislav

    2015-01-01

    Roč. 70, č. 11 (2015), s. 2621-2637 ISSN 0898-1221 R&D Projects: GA ČR GA13-18652S Institutional support: RVO:68145535 Keywords : system of nonlinear equations * Newton method * load increment method * elastoplasticity Subject RIV: IN - Informatics, Computer Science Impact factor: 1.398, year: 2015 http://www.sciencedirect.com/science/article/pii/S0898122115003818

  13. Nuclear methods monitor nutrition

    International Nuclear Information System (INIS)

    Allen, B.J.

    1988-01-01

    Neutron activation of nitrogen and hydrogen in the body, the isotope dilution technique and the measurement of naturally radioactive potassium in the body are among the new nuclear methods, now under collaborative development by the Australian Nuclear Scientific and Technology Organization and medical specialists from several Sydney hospitals. These methods allow medical specialists to monitor the patient's response to various diets and dietary treatments in cases of cystic fibrosis, anorexia nervosa, long-term surgical trauma, renal diseases and AIDS. ills

  14. The fission track method

    International Nuclear Information System (INIS)

    Hansen, K.

    1990-01-01

    During the last decade fission track (FT) analysis has evolved as an important tool in exploration for hydrocarbon resources. Most important is this method's ability to yield information about temperatures at different times (history), and thus relate oil generation and time independently of other maturity parameters. The purpose of this paper is to introduce the basics of the method and give an example from the author's studies. (AB) (14 refs.)

  15. Experimental physics method

    International Nuclear Information System (INIS)

    Jeong, Yang Su; Oh, Byeong Seong

    2010-05-01

    This book introduces measurement and error, statistics of experimental data, population, sample variable, distribution function, propagation of error, mean and measurement of error, adjusting to rectilinear equation, common sense of error, experiment method, and record and statement. It also explains importance of error of estimation, systematic error, random error, treatment of single variable, significant figure, deviation, mean value, median, mode, sample mean, sample standard deviation, binomial distribution, gauss distribution, and method of least squares.

  16. Methods for measuring shrinkage

    OpenAIRE

    Chapman, Paul; Templar, Simon

    2006-01-01

    This paper presents findings from research amongst European grocery retailers into their methods for measuring shrinkage. The findings indicate that: there is no dominant method for valuing or stating shrinkage; shrinkage in the supply chain is frequently overlooked; data is essential in pinpointing where and when loss occurs and that many retailers collect data at the stock-keeping unit (SKU) level and do so every 6 months. These findings reveal that it is difficult to benc...

  17. Method of saccharifying cellulose

    Science.gov (United States)

    Johnson, E.A.; Demain, A.L.; Madia, A.

    1983-05-13

    A method is disclosed of saccharifying cellulose by incubation with the cellulase of Clostridium thermocellum in a broth containing an efficacious amount of thiol reducing agent. Other incubation parameters which may be advantageously controlled to stimulate saccharification include the concentration of alkaline earth salts, pH, temperature, and duration. By the method of the invention, even native crystalline cellulose such as that found in cotton may be completely saccharified.

  18. Method of treating depression

    Science.gov (United States)

    Henn, Fritz [East Patchogue, NY

    2012-01-24

    Methods for treatment of depression-related mood disorders in mammals, particularly humans are disclosed. The methods of the invention include administration of compounds capable of enhancing glutamate transporter activity in the brain of mammals suffering from depression. ATP-sensitive K.sup.+ channel openers and .beta.-lactam antibiotics are used to enhance glutamate transport and to treat depression-related mood disorders and depressive symptoms.

  19. Methods of experimental physics

    CERN Document Server

    Williams, Dudley

    1962-01-01

    Methods of Experimental Physics, Volume 3: Molecular Physics focuses on molecular theory, spectroscopy, resonance, molecular beams, and electric and thermodynamic properties. The manuscript first considers the origins of molecular theory, molecular physics, and molecular spectroscopy, as well as microwave spectroscopy, electronic spectra, and Raman effect. The text then ponders on diffraction methods of molecular structure determination and resonance studies. Topics include techniques of electron, neutron, and x-ray diffraction and nuclear magnetic, nuclear quadropole, and electron spin reson

  20. The ICARE Method

    Science.gov (United States)

    Henke, Luke

    2010-01-01

    The ICARE method is a flexible, widely applicable method for systems engineers to solve problems and resolve issues in a complete and comprehensive manner. The method can be tailored by diverse users for direct application to their function (e.g. system integrators, design engineers, technical discipline leads, analysts, etc.). The clever acronym, ICARE, instills the attitude of accountability, safety, technical rigor and engagement in the problem resolution: Identify, Communicate, Assess, Report, Execute (ICARE). This method was developed through observation of Space Shuttle Propulsion Systems Engineering and Integration (PSE&I) office personnel approach in an attempt to succinctly describe the actions of an effective systems engineer. Additionally it evolved from an effort to make a broadly-defined checklist for a PSE&I worker to perform their responsibilities in an iterative and recursive manner. The National Aeronautics and Space Administration (NASA) Systems Engineering Handbook states, engineering of NASA systems requires a systematic and disciplined set of processes that are applied recursively and iteratively for the design, development, operation, maintenance, and closeout of systems throughout the life cycle of the programs and projects. ICARE is a method that can be applied within the boundaries and requirements of NASA s systems engineering set of processes to provide an elevated sense of duty and responsibility to crew and vehicle safety. The importance of a disciplined set of processes and a safety-conscious mindset increases with the complexity of the system. Moreover, the larger the system and the larger the workforce, the more important it is to encourage the usage of the ICARE method as widely as possible. According to the NASA Systems Engineering Handbook, elements of a system can include people, hardware, software, facilities, policies and documents; all things required to produce system-level results, qualities, properties, characteristics

  1. VALUATION METHODS- LITERATURE REVIEW

    Directory of Open Access Journals (Sweden)

    Dorisz Talas

    2015-07-01

    Full Text Available This paper is a theoretical overview of the often used valuation methods with the help of which the value of a firm or its equity is calculated. Many experts (including Aswath Damodaran, Guochang Zhang and CA Hozefa Natalwala classify the methods. The basic models are based on discounted cash flows. The main method uses the free cash flow for valuation, but there are some newer methods that reveal and correct the weaknesses of the traditional models. The valuation of flexibility of management can be conducted mainly with real options. This paper briefly describes the essence of the Dividend Discount Model, the Free Cash Flow Model, the benefit from using real options and the Residual Income Model. There are a few words about the Adjusted Present Value approach as well. Different models uses different premises, and an overall truth is that if the required premises are real and correct, the value will be appropriately accurate. Another important condition is that experts, analysts should choose between the models on the basis of the purpose of valuation. Thus there are no good or bad methods, only methods that fit different goals and aims. The main task is to define exactly the purpose, then to find the most appropriate valuation technique. All the methods originates from the premise that the value of an asset is the present value of its future cash flows. According to the different points of view of different techniques the resulted values can be also differed from each other. Valuation models and techniques should be adapted to the rapidly changing world, but the basic statements remain the same. On the other hand there is a need for more accurate models in order to help investors get as many information as they could. Today information is one of the most important resources and financial models should keep up with this trend.

  2. The lod score method.

    Science.gov (United States)

    Rice, J P; Saccone, N L; Corbett, J

    2001-01-01

    The lod score method originated in a seminal article by Newton Morton in 1955. The method is broadly concerned with issues of power and the posterior probability of linkage, ensuring that a reported linkage has a high probability of being a true linkage. In addition, the method is sequential, so that pedigrees or lod curves may be combined from published reports to pool data for analysis. This approach has been remarkably successful for 50 years in identifying disease genes for Mendelian disorders. After discussing these issues, we consider the situation for complex disorders, where the maximum lod score (MLS) statistic shares some of the advantages of the traditional lod score approach but is limited by unknown power and the lack of sharing of the primary data needed to optimally combine analytic results. We may still learn from the lod score method as we explore new methods in molecular biology and genetic analysis to utilize the complete human DNA sequence and the cataloging of all human genes.

  3. Advances in iterative methods

    International Nuclear Information System (INIS)

    Beauwens, B.; Arkuszewski, J.; Boryszewicz, M.

    1981-01-01

    Results obtained in the field of linear iterative methods within the Coordinated Research Program on Transport Theory and Advanced Reactor Calculations are summarized. The general convergence theory of linear iterative methods is essentially based on the properties of nonnegative operators on ordered normed spaces. The following aspects of this theory have been improved: new comparison theorems for regular splittings, generalization of the notions of M- and H-matrices, new interpretations of classical convergence theorems for positive-definite operators. The estimation of asymptotic convergence rates was developed with two purposes: the analysis of model problems and the optimization of relaxation parameters. In the framework of factorization iterative methods, model problem analysis is needed to investigate whether the increased computational complexity of higher-order methods does not offset their increased asymptotic convergence rates, as well as to appreciate the effect of standard relaxation techniques (polynomial relaxation). On the other hand, the optimal use of factorization iterative methods requires the development of adequate relaxation techniques and their optimization. The relative performances of a few possibilities have been explored for model problems. Presently, the best results have been obtained with optimal diagonal-Chebyshev relaxation

  4. Four-dimensional MAP-RBI-EM image reconstruction method with a 4D motion prior for 4D gated myocardial perfusion SPECT

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Taek-Soo; Tsui, Benjamin M.W. [Johns Hopkins Univ., Baltimore, MD (United States). Dept. of Radiology; Gullberg, Grant T. [Lawrence Berkeley National Laboratory, Berkeley, CA (United States)

    2011-07-01

    We evaluated and proposed here a 4D maximum a posteriori rescaled-block iterative (MAP-RBI)-EM image reconstruction method with a motion prior to improve the accuracy of 4D gated myocardial perfusion (GMP) SPECT images. We hypothesized that a 4D motion prior which resembles the global motion of the true 4D motion of the heart will improve the accuracy of the reconstructed images with regional myocardial motion defect. Normal heart model in the 4D XCAT (eXtended CArdiac-Torso) phantom is used as the prior in the 4D MAP-RBI-EM algorithm where a Gaussian-shaped distribution is used as the derivative of potential function (DPF) that determines the smoothing strength and range of the prior in the algorithm. The mean and width of the DPF equal to the expected difference between the reconstructed image and the motion prior, and smoothing range, respectively. To evaluate the algorithm, we used simulated projection data from a typical clinical {sup 99m}Tc Sestamibi GMP SPECT study using the 4D XCAT phantom. The noise-free projection data were generated using an analytical projector that included the effects of attenuation, collimator-detector response and scatter (ADS) and Poisson noise was added to generated noisy projection data. The projection datasets were reconstructed using the modified 4D MAP-RBI-EM with various iterations, prior weights, and sigma values as well as with ADS correction. The results showed that the 4D reconstructed image estimates looked more like the motion prior with sharper edges as the weight of prior increased. It also demonstrated that edge preservation of the myocardium in the GMP SPECT images could be controlled by a proper motion prior. The Gaussian-shaped DPF allowed stronger and weaker smoothing force for smaller and larger difference of neighboring voxel values, respectively, depending on its parameter values. We concluded the 4D MAP-RBI-EM algorithm with the general motion prior can be used to provide 4D GMP SPECT images with improved

  5. Independent random sampling methods

    CERN Document Server

    Martino, Luca; Míguez, Joaquín

    2018-01-01

    This book systematically addresses the design and analysis of efficient techniques for independent random sampling. Both general-purpose approaches, which can be used to generate samples from arbitrary probability distributions, and tailored techniques, designed to efficiently address common real-world practical problems, are introduced and discussed in detail. In turn, the monograph presents fundamental results and methodologies in the field, elaborating and developing them into the latest techniques. The theory and methods are illustrated with a varied collection of examples, which are discussed in detail in the text and supplemented with ready-to-run computer code. The main problem addressed in the book is how to generate independent random samples from an arbitrary probability distribution with the weakest possible constraints or assumptions in a form suitable for practical implementation. The authors review the fundamental results and methods in the field, address the latest methods, and emphasize the li...

  6. Grid generation methods

    CERN Document Server

    Liseikin, Vladimir D

    2017-01-01

    This new edition provides a description of current developments relating to grid methods, grid codes, and their applications to actual problems. Grid generation methods are indispensable for the numerical solution of differential equations. Adaptive grid-mapping techniques, in particular, are the main focus and represent a promising tool to deal with systems with singularities. This 3rd edition includes three new chapters on numerical implementations (10), control of grid properties (11), and applications to mechanical, fluid, and plasma related problems (13). Also the other chapters have been updated including new topics, such as curvatures of discrete surfaces (3). Concise descriptions of hybrid mesh generation, drag and sweeping methods, parallel algorithms for mesh generation have been included too. This new edition addresses a broad range of readers: students, researchers, and practitioners in applied mathematics, mechanics, engineering, physics and other areas of applications.

  7. Bayesian methods in reliability

    Science.gov (United States)

    Sander, P.; Badoux, R.

    1991-11-01

    The present proceedings from a course on Bayesian methods in reliability encompasses Bayesian statistical methods and their computational implementation, models for analyzing censored data from nonrepairable systems, the traits of repairable systems and growth models, the use of expert judgment, and a review of the problem of forecasting software reliability. Specific issues addressed include the use of Bayesian methods to estimate the leak rate of a gas pipeline, approximate analyses under great prior uncertainty, reliability estimation techniques, and a nonhomogeneous Poisson process. Also addressed are the calibration sets and seed variables of expert judgment systems for risk assessment, experimental illustrations of the use of expert judgment for reliability testing, and analyses of the predictive quality of software-reliability growth models such as the Weibull order statistics.

  8. Energy methods in dynamics

    CERN Document Server

    Le, Khanh Chau

    2012-01-01

    The above examples should make clear the necessity of understanding the mechanism of vibrations and waves in order to control them in an optimal way. However vibrations and waves are governed by differential equations which require, as a rule, rather complicated mathematical methods for their analysis. The aim of this textbook is to help students acquire both a good grasp of the first principles from which the governing equations can be derived, and the adequate mathematical methods for their solving. Its distinctive features, as seen from the title, lie in the systematic and intensive use of Hamilton's variational principle and its generalizations for deriving the governing equations of conservative and dissipative mechanical systems, and also in providing the direct variational-asymptotic analysis, whenever available, of the energy and dissipation for the solution of these equations. It will be demonstrated that many well-known methods in dynamics like those of Lindstedt-Poincare, Bogoliubov-Mitropolsky, Ko...

  9. Nuclear methods for tribology

    International Nuclear Information System (INIS)

    Racolta, P.M.

    1994-01-01

    The tribological field of activity is mainly concerned with the relative movement of different machine components, friction and wear phenomena and their dependence upon lubrication. Tribological studies on friction and wear processes are important because they lead to significant parameter-improvements of engineering tools and machinery components. A review of fundamental aspects of both friction and wear phenomena is presented. A number of radioindicator-based methods have been known for almost four decades, differing mainly with respect to the mode of introducing the radio-indicators into the machine part to be studied. All these methods briefly presented in this paper are based on the measurement of the activity of wear products and therefore require high activity levels of the part. For this reason, such determinations can be carried out only in special laboratories and under conditions which do not usually agree with the conditions of actual use. What is required is a sensitive, fast method allowing the determination of wear under any operating conditions, without the necessity of stopping and disassembling the machine. The above mentioned requirements are the features that have made the Thin Layer Activation technique (TLA) the most widely used method applied in wear and corrosion studies in the last two decades. The TLA principle, taking in account that wear and corrosion processes are characterised by a loss of material, consists in an ion beam irradiation of a well defined volume of a machine part subjected to wear. The radioactivity level changes can usually be measured by gamma-ray spectroscopy methods. A review of both main TLA fields of application in major laboratories abroad and of those performed at the U-120 cyclotron of I.P.N.E.-Bucharest together with the existing trends to extend other nuclear analytical methods to tribological studies is presented as well. (author). 25 refs., 6 figs., 2 tabs

  10. Methods for pretreating biomass

    Science.gov (United States)

    Balan, Venkatesh; Dale, Bruce E; Chundawat, Shishir; Sousa, Leonardo

    2017-05-09

    A method for pretreating biomass is provided, which includes, in a reactor, allowing gaseous ammonia to condense on the biomass and react with water present in the biomass to produce pretreated biomass, wherein reactivity of polysaccharides in the biomass is increased during subsequent biological conversion as compared to the reactivity of polysaccharides in biomass which has not been pretreated. A method for pretreating biomass with a liquid ammonia and recovering the liquid ammonia is also provided. Related systems which include a biochemical or biofuel production facility are also disclosed.

  11. Exploring Monte Carlo methods

    CERN Document Server

    Dunn, William L

    2012-01-01

    Exploring Monte Carlo Methods is a basic text that describes the numerical methods that have come to be known as "Monte Carlo." The book treats the subject generically through the first eight chapters and, thus, should be of use to anyone who wants to learn to use Monte Carlo. The next two chapters focus on applications in nuclear engineering, which are illustrative of uses in other fields. Five appendices are included, which provide useful information on probability distributions, general-purpose Monte Carlo codes for radiation transport, and other matters. The famous "Buffon's needle proble

  12. Research on teaching methods.

    Science.gov (United States)

    Oermann, M H

    1990-01-01

    Research on teaching methods in nursing education was categorized into studies on media, CAI, and other nontraditional instructional strategies. While the research differed, some generalizations may be made from the findings. Multimedia, whether it is used for individual or group instruction, is at least as effective as traditional instruction (lecture and lecture-discussion) in promoting cognitive learning, retention of knowledge, and performance. Further study is needed to identify variables that may influence learning and retention. While learner attitudes toward mediated instruction tended to be positive, investigators failed to control for the effect of novelty. Control over intervening variables was lacking in the majority of studies as well. Research indicated that CAI is as effective as other teaching methods in terms of knowledge gain and retention. Attitudes toward CAI tended to be favorable, with similar problems in measurement as those evidenced in studies of media. Chang (1986) also recommends that future research examine the impact of computer-video interactive instruction on students, faculty, and settings. Research is needed on experimental teaching methods, strategies for teaching problem solving and clinical judgment, and ways of improving the traditional lecture and discussion. Limited research in these areas makes generalizations impossible. There is a particular need for research on how to teach students the diagnostic reasoning process and encourage critical thinking, both in terms of appropriate teaching methods and the way in which those strategies should be used. It is interesting that few researchers studied lecture and lecture-discussion except as comparable teaching methods for research on other strategies. Additional research questions may be generated on lecture and discussion in relation to promoting concept learning, an understanding of nursing and other theories, transfer of knowledge, and development of cognitive skills. Few

  13. Carbon 14 dating method

    International Nuclear Information System (INIS)

    Fortin, Ph.

    2000-01-01

    This document gives a first introduction to 14 C dating as it is put into practice at the radiocarbon dating centre of Claude-Bernard university (Lyon-1 univ., Villeurbanne, France): general considerations and recalls of nuclear physics; the 14 C dating method; the initial standard activity; the isotopic fractioning; the measurement of samples activity; the liquid-scintillation counters; the calibration and correction of 14 C dates; the preparation of samples; the benzene synthesis; the current applications of the method. (J.S.)

  14. Methods of Multivariate Analysis

    CERN Document Server

    Rencher, Alvin C

    2012-01-01

    Praise for the Second Edition "This book is a systematic, well-written, well-organized text on multivariate analysis packed with intuition and insight . . . There is much practical wisdom in this book that is hard to find elsewhere."-IIE Transactions Filled with new and timely content, Methods of Multivariate Analysis, Third Edition provides examples and exercises based on more than sixty real data sets from a wide variety of scientific fields. It takes a "methods" approach to the subject, placing an emphasis on how students and practitioners can employ multivariate analysis in real-life sit

  15. Tautomerism methods and theories

    CERN Document Server

    Antonov, Liudmil

    2013-01-01

    Covering the gap between basic textbooks and over-specialized scientific publications, this is the first reference available to describe this interdisciplinary topic for PhD students and scientists starting in the field. The result is an introductory description providing suitable practical examples of the basic methods used to study tautomeric processes, as well as the theories describing the tautomerism and proton transfer phenomena. It also includes different spectroscopic methods for examining tautomerism, such as UV-VIs, time-resolved fluorescence spectroscopy, and NMR spectrosc

  16. Speeding Fermat's factoring method

    Science.gov (United States)

    McKee, James

    A factoring method is presented which, heuristically, splits composite n in O(n^{1/4+epsilon}) steps. There are two ideas: an integer approximation to sqrt(q/p) provides an O(n^{1/2+epsilon}) algorithm in which n is represented as the difference of two rational squares; observing that if a prime m divides a square, then m^2 divides that square, a heuristic speed-up to O(n^{1/4+epsilon}) steps is achieved. The method is well-suited for use with small computers: the storage required is negligible, and one never needs to work with numbers larger than n itself.

  17. High frequency asymptotic methods

    International Nuclear Information System (INIS)

    Bouche, D.; Dessarce, R.; Gay, J.; Vermersch, S.

    1991-01-01

    The asymptotic methods allow us to compute the interaction of high frequency electromagnetic waves with structures. After an outline of their foundations with emphasis on the geometrical theory of diffraction, it is shown how to use these methods to evaluate the radar cross section (RCS) of complex tri-dimensional objects of great size compared to the wave-length. The different stages in simulating phenomena which contribute to the RCS are reviewed: physical theory of diffraction, multiple interactions computed by shooting rays, research for creeping rays. (author). 7 refs., 6 figs., 3 insets

  18. Practical methods of optimization

    CERN Document Server

    Fletcher, R

    2013-01-01

    Fully describes optimization methods that are currently most valuable in solving real-life problems. Since optimization has applications in almost every branch of science and technology, the text emphasizes their practical aspects in conjunction with the heuristics useful in making them perform more reliably and efficiently. To this end, it presents comparative numerical studies to give readers a feel for possibile applications and to illustrate the problems in assessing evidence. Also provides theoretical background which provides insights into how methods are derived. This edition offers rev

  19. Electrorheological fluids and methods

    Science.gov (United States)

    Green, Peter F.; McIntyre, Ernest C.

    2015-06-02

    Electrorheological fluids and methods include changes in liquid-like materials that can flow like milk and subsequently form solid-like structures under applied electric fields; e.g., about 1 kV/mm. Such fluids can be used in various ways as smart suspensions, including uses in automotive, defense, and civil engineering applications. Electrorheological fluids and methods include one or more polar molecule substituted polyhedral silsesquioxanes (e.g., sulfonated polyhedral silsesquioxanes) and one or more oils (e.g., silicone oil), where the fluid can be subjected to an electric field.

  20. Method of sterilization

    International Nuclear Information System (INIS)

    Peel, J.L.; Waites, W.M.

    1981-01-01

    A method of sterilisation of food packaging is described which comprises treating microorganisms with an ultraviolet irradiated solution of hydrogen peroxide to render the microorganisms non-viable. The wavelength of ultraviolet radiation used is wholly or predominantly below 325 nm and the concentration of the hydrogen peroxide is no greater than 10% by weight. The method is applicable to a wide variety of microorganisms including moulds, yeasts, bacteria, viruses and protozoa and finds particular application in the destruction of spore-forming bacteria, especially those which are dairy contaminants. (U.K.)

  1. Unorthodox theoretical methods

    Energy Technology Data Exchange (ETDEWEB)

    Nedd, Sean [Iowa State Univ., Ames, IA (United States)

    2012-01-01

    The use of the ReaxFF force field to correlate with NMR mobilities of amine catalytic substituents on a mesoporous silica nanosphere surface is considered. The interfacing of the ReaxFF force field within the Surface Integrated Molecular Orbital/Molecular Mechanics (SIMOMM) method, in order to replicate earlier SIMOMM published data and to compare with the ReaxFF data, is discussed. The development of a new correlation consistent Composite Approach (ccCA) is presented, which incorporates the completely renormalized coupled cluster method with singles, doubles and non-iterative triples corrections towards the determination of heats of formations and reaction pathways which contain biradical species.

  2. Monte Carlo methods

    Directory of Open Access Journals (Sweden)

    Bardenet Rémi

    2013-07-01

    Full Text Available Bayesian inference often requires integrating some function with respect to a posterior distribution. Monte Carlo methods are sampling algorithms that allow to compute these integrals numerically when they are not analytically tractable. We review here the basic principles and the most common Monte Carlo algorithms, among which rejection sampling, importance sampling and Monte Carlo Markov chain (MCMC methods. We give intuition on the theoretical justification of the algorithms as well as practical advice, trying to relate both. We discuss the application of Monte Carlo in experimental physics, and point to landmarks in the literature for the curious reader.

  3. The SPH homogeneization method

    International Nuclear Information System (INIS)

    Kavenoky, Alain

    1978-01-01

    The homogeneization of a uniform lattice is a rather well understood topic while difficult problems arise if the lattice becomes irregular. The SPH homogeneization method is an attempt to generate homogeneized cross sections for an irregular lattice. Section 1 summarizes the treatment of an isolated cylindrical cell with an entering surface current (in one velocity theory); Section 2 is devoted to the extension of the SPH method to assembly problems. Finally Section 3 presents the generalisation to general multigroup problems. Numerical results are obtained for a PXR rod bundle assembly in Section 4

  4. Splines and variational methods

    CERN Document Server

    Prenter, P M

    2008-01-01

    One of the clearest available introductions to variational methods, this text requires only a minimal background in calculus and linear algebra. Its self-contained treatment explains the application of theoretic notions to the kinds of physical problems that engineers regularly encounter. The text's first half concerns approximation theoretic notions, exploring the theory and computation of one- and two-dimensional polynomial and other spline functions. Later chapters examine variational methods in the solution of operator equations, focusing on boundary value problems in one and two dimension

  5. Probabilistic methods for physics

    International Nuclear Information System (INIS)

    Cirier, G

    2013-01-01

    We present an asymptotic method giving a probability of presence of the iterated spots of R d by a polynomial function f. We use the well-known Perron Frobenius operator (PF) that lets certain sets and measure invariant by f. Probabilistic solutions can exist for the deterministic iteration. If the theoretical result is already known, here we quantify these probabilities. This approach seems interesting to use for computing situations when the deterministic methods don't run. Among the examined applications, are asymptotic solutions of Lorenz, Navier-Stokes or Hamilton's equations. In this approach, linearity induces many difficult problems, all of whom we have not yet resolved.

  6. METHOD OF ROLLING URANIUM

    Science.gov (United States)

    Smith, C.S.

    1959-08-01

    A method is described for rolling uranium metal at relatively low temperatures and under non-oxidizing conditions. The method involves the steps of heating the uranium to 200 deg C in an oil bath, withdrawing the uranium and permitting the oil to drain so that only a thin protective coating remains and rolling the oil coated uranium at a temperature of 200 deg C to give about a 15% reduction in thickness at each pass. The operation may be repeated to accomplish about a 90% reduction without edge cracking, checking or any appreciable increase in brittleness.

  7. Supercritical fluid analytical methods

    International Nuclear Information System (INIS)

    Smith, R.D.; Kalinoski, H.T.; Wright, B.W.; Udseth, H.R.

    1988-01-01

    Supercritical fluids are providing the basis for new and improved methods across a range of analytical technologies. New methods are being developed to allow the detection and measurement of compounds that are incompatible with conventional analytical methodologies. Characterization of process and effluent streams for synfuel plants requires instruments capable of detecting and measuring high-molecular-weight compounds, polar compounds, or other materials that are generally difficult to analyze. The purpose of this program is to develop and apply new supercritical fluid techniques for extraction, separation, and analysis. These new technologies will be applied to previously intractable synfuel process materials and to complex mixtures resulting from their interaction with environmental and biological systems

  8. A flexible homework method

    Science.gov (United States)

    Bao, Lei; Stonebraker, Stephen R.; Sadaghiani, Homeyra

    2008-09-01

    The traditional methods of assigning and grading homework in large enrollment physics courses have raised concerns among many instructors and students. In this paper we discuss a cost-effective approach to managing homework that involves making half of the problem solutions available to students before the homework is due. In addition, students are allowed some control in choosing which problems to solve. This paper-based approach to homework provides more detailed and timely support to students and increases the amount of self-direction in the homework process. We describe the method and present preliminary results on how students have responded.

  9. Molecular methods for biofilms

    KAUST Repository

    Ferrera, Isabel; Balagué , Vanessa; Voolstra, Christian R.; Aranda, Manuel; Bayer, Till; Abed, Raeid M.M.; Dobretsov, Sergey; Owens, Sarah M.; Wilkening, Jared; Fessler, Jennifer L.; Gilbert, Jack A.

    2014-01-01

    This chapter deals with both classical and modern molecular methods that can be useful for the identification of microorganisms, elucidation and comparison of microbial communities, and investigation of their diversity and functions. The most important and critical steps necessary for all molecular methods is DNA isolation from microbial communities and environmental samples; these are discussed in the first part. The second part provides an overview over DNA polymerase chain reaction (PCR) amplification and DNA sequencing methods. Protocols and analysis software as well as potential pitfalls associated with application of these methods are discussed. Community fingerprinting analyses that can be used to compare multiple microbial communities are discussed in the third part. This part focuses on Denaturing Gradient Gel Electrophoresis (DGGE), Terminal Restriction Fragment Length Polymorphism (T-RFLP) and Automated rRNA Intergenic Spacer Analysis (ARISA) methods. In addition, classical and next-generation metagenomics methods are presented. These are limited to bacterial artificial chromosome and Fosmid libraries and Sanger and next-generation 454 sequencing, as these methods are currently the most frequently used in research. Isolation of nucleic acids: This chapter discusses, the most important and critical steps necessary for all molecular methods is DNA isolation from microbial communities and environmental samples. Nucleic acid isolation methods generally include three steps: cell lysis, removal of unwanted substances, and a final step of DNA purification and recovery. The first critical step is the cell lysis, which can be achieved by enzymatic or mechanical procedures. Removal of proteins, polysaccharides and other unwanted substances is likewise important to avoid their interference in subsequent analyses. Phenol-chloroform-isoamyl alcohol is commonly used to recover DNA, since it separates nucleic acids into an aqueous phase and precipitates proteins and

  10. Molecular methods for biofilms

    KAUST Repository

    Ferrera, Isabel

    2014-08-30

    This chapter deals with both classical and modern molecular methods that can be useful for the identification of microorganisms, elucidation and comparison of microbial communities, and investigation of their diversity and functions. The most important and critical steps necessary for all molecular methods is DNA isolation from microbial communities and environmental samples; these are discussed in the first part. The second part provides an overview over DNA polymerase chain reaction (PCR) amplification and DNA sequencing methods. Protocols and analysis software as well as potential pitfalls associated with application of these methods are discussed. Community fingerprinting analyses that can be used to compare multiple microbial communities are discussed in the third part. This part focuses on Denaturing Gradient Gel Electrophoresis (DGGE), Terminal Restriction Fragment Length Polymorphism (T-RFLP) and Automated rRNA Intergenic Spacer Analysis (ARISA) methods. In addition, classical and next-generation metagenomics methods are presented. These are limited to bacterial artificial chromosome and Fosmid libraries and Sanger and next-generation 454 sequencing, as these methods are currently the most frequently used in research. Isolation of nucleic acids: This chapter discusses, the most important and critical steps necessary for all molecular methods is DNA isolation from microbial communities and environmental samples. Nucleic acid isolation methods generally include three steps: cell lysis, removal of unwanted substances, and a final step of DNA purification and recovery. The first critical step is the cell lysis, which can be achieved by enzymatic or mechanical procedures. Removal of proteins, polysaccharides and other unwanted substances is likewise important to avoid their interference in subsequent analyses. Phenol-chloroform-isoamyl alcohol is commonly used to recover DNA, since it separates nucleic acids into an aqueous phase and precipitates proteins and

  11. Software specification methods

    CERN Document Server

    Habrias, Henri

    2010-01-01

    This title provides a clear overview of the main methods, and has a practical focus that allows the reader to apply their knowledge to real-life situations. The following are just some of the techniques covered: UML, Z, TLA+, SAZ, B, OMT, VHDL, Estelle, SDL and LOTOS.

  12. Leak detection method

    International Nuclear Information System (INIS)

    1978-01-01

    This invention provides a method for removing nuclear fuel elements from a fabrication building while at the same time testing the fuel elements for leaks without releasing contaminants from the fabrication building or from the fuel elements. The vacuum source used, leak detecting mechanism and fuel element fabrication building are specified to withstand environmental hazards. (UK)

  13. Photovoltaic device and method

    Science.gov (United States)

    Cleereman, Robert J; Lesniak, Michael J; Keenihan, James R; Langmaid, Joe A; Gaston, Ryan; Eurich, Gerald K; Boven, Michelle L

    2015-01-27

    The present invention is premised upon an improved photovoltaic device ("PVD") and method of use, more particularly to an improved photovoltaic device with an integral locator and electrical terminal mechanism for transferring current to or from the improved photovoltaic device and the use as a system.

  14. Methods for Risk Analysis

    International Nuclear Information System (INIS)

    Alverbro, Karin

    2010-01-01

    Many decision-making situations today affect humans and the environment. In practice, many such decisions are made without an overall view and prioritise one or other of the two areas. Now and then these two areas of regulation come into conflict, e.g. the best alternative as regards environmental considerations is not always the best from a human safety perspective and vice versa. This report was prepared within a major project with the aim of developing a framework in which both the environmental aspects and the human safety aspects are integrated, and decisions can be made taking both fields into consideration. The safety risks have to be analysed in order to be successfully avoided and one way of doing this is to use different kinds of risk analysis methods. There is an abundance of existing methods to choose from and new methods are constantly being developed. This report describes some of the risk analysis methods currently available for analysing safety and examines the relationships between them. The focus here is mainly on human safety aspects

  15. HEV and cirrhosis: methods

    Indian Academy of Sciences (India)

    First page Back Continue Last page Overview Graphics. HEV and cirrhosis: methods. Study group. Patients with cirrhosis and recent jaundice for <30 d. Controls. Patients with liver cirrhosis but no recent worsening. Exclusions. Significant alcohol consumption. Recent hepatotoxic drugs. Recent antiviral therapy. Recent ...

  16. Method of killing microorganisms

    International Nuclear Information System (INIS)

    Tensmeyer, L.G.

    1980-01-01

    A method of sterilizing the contents of containers involves exposure to a plasma induced therein by focusing a high-power laser beam in an electromagnetic field preferably for a period of from 1.0 millisec to 1.0 secs. (U.K.)

  17. Method of signal analysis

    International Nuclear Information System (INIS)

    Berthomier, Charles

    1975-01-01

    A method capable of handling the amplitude and the frequency time laws of a certain kind of geophysical signals is described here. This method is based upon the analytical signal idea of Gabor and Ville, which is constructed either in the time domain by adding an imaginary part to the real signal (in-quadrature signal), or in the frequency domain by suppressing negative frequency components. The instantaneous frequency of the initial signal is then defined as the time derivative of the phase of the analytical signal, and his amplitude, or envelope, as the modulus of this complex signal. The method is applied to three types of magnetospheric signals: chorus, whistlers and pearls. The results obtained by analog and numerical calculations are compared to results obtained by classical systems using filters, i.e. based upon a different definition of the concept of frequency. The precision with which the frequency-time laws are determined leads then to the examination of the principle of the method and to a definition of instantaneous power density spectrum attached to the signal, and to the first consequences of this definition. In this way, a two-dimensional representation of the signal is introduced which is less deformed by the analysis system properties than the usual representation, and which moreover has the advantage of being obtainable practically in real time [fr

  18. TRAC methods and models

    International Nuclear Information System (INIS)

    Mahaffy, J.H.; Liles, D.R.; Bott, T.F.

    1981-01-01

    The numerical methods and physical models used in the Transient Reactor Analysis Code (TRAC) versions PD2 and PF1 are discussed. Particular emphasis is placed on TRAC-PF1, the version specifically designed to analyze small-break loss-of-coolant accidents

  19. The Prescribed Velocity Method

    DEFF Research Database (Denmark)

    Nielsen, Peter Vilhelm

    The- velocity level in a room ventilated by jet ventilation is strongly influenced by the supply conditions. The momentum flow in the supply jets controls the air movement in the room and, therefore, it is very important that the inlet conditions and the numerical method can generate a satisfactory...

  20. Immunocytochemical methods and protocols

    National Research Council Canada - National Science Library

    Javois, Lorette C

    1999-01-01

    ... monoclonal antibodies to study cell differentiation during embryonic development. For a select few disciplines volumes have been published focusing on the specific application of immunocytochemical techniques to that discipline. What distinguished Immunocytochemical Methods and Protocols from earlier books when it was first published four years ago was i...

  1. Adhesive compositions and methods

    Science.gov (United States)

    Allen, Scott D.; Sendijarevic, Vahid; O'Connor, James

    2017-12-05

    The present invention encompasses polyurethane adhesive compositions comprising aliphatic polycarbonate chains. In one aspect, the present invention encompasses polyurethane adhesives derived from aliphatic polycarbonate polyols and polyisocyanates wherein the polyol chains contain a primary repeating unit having a structure:. In another aspect, the invention provides articles comprising the inventive polyurethane compositions as well as methods of making such compositions.

  2. Ferrari's Method and Technology

    Science.gov (United States)

    Althoen, Steve

    2005-01-01

    Some tips that combine knowledge of mathematics history and technology for adapting Ferrar's method to factor quintics with a TI-83 graphing calculator are presented. A demonstration on the use of the root finder and regression capabilities of the graphing calculator are presented, so that the tips can be easily adapted for any graphing calculator…

  3. Truth and Methods.

    Science.gov (United States)

    Dasenbrock, Reed Way

    1995-01-01

    Examines literary theory's displacing of "method" in the New Historicist criticism. Argues that Stephen Greenblatt and Lee Paterson imply that no objective historical truth is possible and as a result do not give methodology its due weight in their criticism. Questions the theory of "truth" advanced in this vein of literary…

  4. Sparse Classification - Methods & Applications

    DEFF Research Database (Denmark)

    Einarsson, Gudmundur

    for analysing such data carry the potential to revolutionize tasks such as medical diagnostics where often decisions need to be based on only a few high-dimensional observations. This explosion in data dimensionality has sparked the development of novel statistical methods. In contrast, classical statistics...

  5. Method of complex scaling

    International Nuclear Information System (INIS)

    Braendas, E.

    1986-01-01

    The method of complex scaling is taken to include bound states, resonances, remaining scattering background and interference. Particular points of the general complex coordinate formulation are presented. It is shown that care must be exercised to avoid paradoxical situations resulting from inadequate definitions of operator domains. A new resonance localization theorem is presented

  6. Alternative methods in criticality

    International Nuclear Information System (INIS)

    Pedicini, J.M.

    1982-01-01

    In this thesis two new methods of calculating the criticality of a nuclear system are introduced and verified. Most methods of determining the criticality of a nuclear system depend implicitly upon knowledge of the angular flux, net currents, or moments of the angular flux, on the system surface in order to know the leakage. For small systems, leakage is the predominant element in criticality calculations. Unfortunately, in these methods the least accurate fluxes, currents, or moments are those occurring near system surfaces or interfaces. This is due to a mathematical inability to satisfy rigorously with a finite order angular polynomial expansion or angular difference technique the physical boundary conditions which occur on these surfaces. Consequently, one must accept large computational effort or less precise criticality calculations. The methods introduced in this thesis, including a direct leakage operator and an indirect multiple scattering leakage operator, obviate the need to know angular fluxes accurately at system boundaries. Instead, the system wide scalar flux, an integral quantity which is substantially easier to obtain with good precision is sufficient to obtain production, absorption, scattering, and leakage rates

  7. Materials and Methods

    African Journals Online (AJOL)

    David Norris

    genetic variance and its distribution in the population structure can lead to the design of optimum ... Recent developments in statistical methods and computing algorithms ..... This may be an indication of the general effect of the population structure. .... Presentation at the 40th anniversary, Institute of Genetics and Animal.

  8. Biomass treatment method

    Science.gov (United States)

    Friend, Julie; Elander, Richard T.; Tucker, III; Melvin P.; Lyons, Robert C.

    2010-10-26

    A method for treating biomass was developed that uses an apparatus which moves a biomass and dilute aqueous ammonia mixture through reaction chambers without compaction. The apparatus moves the biomass using a non-compressing piston. The resulting treated biomass is saccharified to produce fermentable sugars.

  9. Embodied Design Ideation methods

    DEFF Research Database (Denmark)

    Wilde, Danielle; Vallgårda, Anna; Tomico, Oscar

    2017-01-01

    Embodied design ideation practices work with relationships between body, material and context to enliven design and research potential. Methods are often idiosyncratic and – due to their physical nature – not easily transferred. This presents challenges for designers wishing to develop and share ...

  10. gel template method

    Indian Academy of Sciences (India)

    TiO2 nanotubes have been synthesized by sol–gel template method using alumina membrane. Scanning electron microscopy (SEM), transmission electron microscopy (TEM), Raman spectroscopy, UV absorption spectrum and X-ray diffraction techniques have been used to investigate the structure, morphology and optical ...

  11. Audience Methods and Gratifications.

    Science.gov (United States)

    Lull, James

    A model of need gratification inspired by the work of K.E. Rosengren suggests a theoretical framework making it possible to identify, measure, and assess the components of the need gratification process with respect to the mass media. Methods having cognitive and behavioral components are designed by individuals to achieve need gratification. Deep…

  12. Method for forming ammonia

    Science.gov (United States)

    Kong, Peter C.; Pink, Robert J.; Zuck, Larry D.

    2008-08-19

    A method for forming ammonia is disclosed and which includes the steps of forming a plasma; providing a source of metal particles, and supplying the metal particles to the plasma to form metal nitride particles; and providing a substance, and reacting the metal nitride particles with the substance to produce ammonia, and an oxide byproduct.

  13. Fashion, Mediations & Method Assemblages

    DEFF Research Database (Denmark)

    Sommerlund, Julie; Jespersen, Astrid Pernille

    of handling multiple, fluid realities with multiple, fluid methods. Empirically, the paper works with mediation in fashion - that is efforts the active shaping of relations between producer and consumer through communication, marketing and PR. Fashion mediation is by no means simple, but organise complex...

  14. Universal Image Steganalytic Method

    Directory of Open Access Journals (Sweden)

    V. Banoci

    2014-12-01

    Full Text Available In the paper we introduce a new universal steganalytic method in JPEG file format that is detecting well-known and also newly developed steganographic methods. The steganalytic model is trained by MHF-DZ steganographic algorithm previously designed by the same authors. The calibration technique with the Feature Based Steganalysis (FBS was employed in order to identify statistical changes caused by embedding a secret data into original image. The steganalyzer concept utilizes Support Vector Machine (SVM classification for training a model that is later used by the same steganalyzer in order to identify between a clean (cover and steganographic image. The aim of the paper was to analyze the variety in accuracy of detection results (ACR while detecting testing steganographic algorithms as F5, Outguess, Model Based Steganography without deblocking, JP Hide and Seek which represent the generally used steganographic tools. The comparison of four feature vectors with different lengths FBS (22, FBS (66 FBS(274 and FBS(285 shows promising results of proposed universal steganalytic method comparing to binary methods.

  15. Ergonomics research methods

    Science.gov (United States)

    Uspenskiy, S. I.; Yermakova, S. V.; Chaynova, L. D.; Mitkin, A. A.; Gushcheva, T. M.; Strelkov, Y. K.; Tsvetkova, N. F.

    1973-01-01

    Various factors used in ergonomic research are given. They are: (1) anthrometric measurement, (2) polyeffector method of assessing the functional state of man, (3) galvanic skin reaction, (4) pneumography, (5) electromyography, (6) electrooculography, and (7) tachestoscopy. A brief summary is given of each factor and includes instrumentation and results.

  16. Research Methods in Sociolinguistics

    Science.gov (United States)

    Hernández-Campoy, Juan Manuel

    2014-01-01

    The development of Sociolinguistics has been qualitatively and quantitatively outstanding within Linguistic Science since its beginning in the 1950s, with a steady growth in both theoretical and methodological developments as well as in its interdisciplinary directions within the spectrum of language and society. Field methods in sociolinguistic…

  17. Kriging : Methods and Applications

    NARCIS (Netherlands)

    Kleijnen, J.P.C.

    2017-01-01

    In this chapter we present Kriging— also known as a Gaussian process (GP) model— which is a mathematical interpolation method. To select the input combinations to be simulated, we use Latin hypercube sampling (LHS); we allow uniform and non-uniform distributions of the simulation inputs. Besides

  18. Sampling system and method

    Science.gov (United States)

    Decker, David L.; Lyles, Brad F.; Purcell, Richard G.; Hershey, Ronald Lee

    2013-04-16

    The present disclosure provides an apparatus and method for coupling conduit segments together. A first pump obtains a sample and transmits it through a first conduit to a reservoir accessible by a second pump. The second pump further conducts the sample from the reservoir through a second conduit.

  19. Six Sigma method

    NARCIS (Netherlands)

    Does, R.J.M.M.; de Mast, J.; Balakrishnan, N.; Brandimarte, P.; Everitt, B.; Molenberghs, G.; Piegorsch, W.; Ruggeri, F.

    2015-01-01

    Six Sigma is built on principles and methods that have proven themselves over the twentieth century. It has incorporated the most effective approaches and integrated them into a full program. It offers a management structure for organizing continuous improvement of routine tasks, such as

  20. Modern Reduction Methods

    CERN Document Server

    Andersson, Pher G

    2008-01-01

    With its comprehensive overview of modern reduction methods, this book features high quality contributions allowing readers to find reliable solutions quickly and easily. The monograph treats the reduction of carbonyles, alkenes, imines and alkynes, as well as reductive aminations and cross and heck couplings, before finishing off with sections on kinetic resolutions and hydrogenolysis. An indispensable lab companion for every chemist.

  1. Methods of information processing

    Energy Technology Data Exchange (ETDEWEB)

    Kosarev, Yu G; Gusev, V D

    1978-01-01

    Works are presented on automation systems for editing and publishing operations by methods of processing symbol information and information contained in training selection (ranking of objectives by promise, classification algorithm of tones and noise). The book will be of interest to specialists in the automation of processing textural information, programming, and pattern recognition.

  2. Dual completion method

    Energy Technology Data Exchange (ETDEWEB)

    Mamedov, N Ya; Kadymova, K S; Dzhafarov, Sh T

    1963-10-28

    One type of dual completion method utilizes a single tubing string. Through the use of the proper tubing equipment, the fluid from the low-productive upper formation is lifted by utilizing the surplus energy of a submerged pump, which handles the production from the lower stratum.

  3. Methods Evolved by Observation

    Science.gov (United States)

    Montessori, Maria

    2016-01-01

    Montessori's idea of the child's nature and the teacher's perceptiveness begins with amazing simplicity, and when she speaks of "methods evolved," she is unveiling a methodological system for observation. She begins with the early childhood explosion into writing, which is a familiar child phenomenon that Montessori has written about…

  4. Alternative methods in criticality

    International Nuclear Information System (INIS)

    Pedicini, J.M.

    1982-01-01

    Two new methods of calculating the criticality of a nuclear system are introduced and verified. Most methods of determining the criticality of a nuclear system depend implicitly upon knowledge of the angular flux, net currents, or moments of the angular flux, on the system surface in order to know the leakage. For small systems, leakage is the predominant element in criticality calculations. Unfortunately, in these methods the least accurate fluxes, currents, or moments are those occuring near system surfaces or interfaces. This is due to a mathematical inability to satisfy rigorously with a finite order angular polynomial expansion or angular difference technique the physical boundary conditions which occur on these surfaces. Consequently, one must accept large computational effort or less precise criticality calculations. The methods introduced in this thesis, including a direct leakage operator and an indirect multiple scattering leakage operator, obviate the need to know angular fluxes accurately at system boundaries. Instead, the system wide scalar flux, an integral quantity which is substantially easier to obtain with good precision, is sufficient to obtain production, absorption, scattering, and leakage rates

  5. WATER CHEMISTRY ASSESSMENT METHODS

    Science.gov (United States)

    This section summarizes and evaluates the surfce water column chemistry assessment methods for USEPA/EMAP-SW, USGS-NAQA, USEPA-RBP, Oho EPA, and MDNR-MBSS. The basic objective of surface water column chemistry assessment is to characterize surface water quality by measuring a sui...

  6. Analysis of numerical methods

    CERN Document Server

    Isaacson, Eugene

    1994-01-01

    This excellent text for advanced undergraduates and graduate students covers norms, numerical solution of linear systems and matrix factoring, iterative solutions of nonlinear equations, eigenvalues and eigenvectors, polynomial approximation, and other topics. It offers a careful analysis and stresses techniques for developing new methods, plus many examples and problems. 1966 edition.

  7. DFT+U study of defects in bulk rutile TiO2

    DEFF Research Database (Denmark)

    Stausholm-Møller, Jess; Kristoffersen, Henrik Høgh; Hinnemann, Berit

    2010-01-01

    phase of bulk titanium dioxide. We find that by applying a sufficiently large value for the Hubbard-U parameter of the Ti 3d states, the excess electrons localize spatially at the Ti sites and appear as states in the band gap. At U = 2.5 eV, the position in energy of these gap states are in fair...... is that regardless of which structural defect is the origin of the gap states, at U = 2.5 eV, these states are found to have their mean energies within a few hundredths of an eV from 0.94 eV below the conduction band minimum.......We present a systematic study of electronic gap states in defected titania using our implementation of the Hubbard-U approximation in the grid-based projector-augmented wave density functional theory code, GPAW. The defects considered are Ti interstitials, O vacancies, and H dopants in the rutile...

  8. DFT study of adsorption and dissociation of thiophene molecules on Ni(1 1 0)

    Science.gov (United States)

    Morin, C.; Eichler, A.; Hirschl, R.; Sautet, P.; Hafner, J.

    2003-08-01

    The different adsorption possibilities of thiophene (C 4H 4S) on the Ni(1 1 0) surface have been studied using first principle local-density-functional calculations, with the Vienna ab initio simulation package, which is based on a plane wave basis set and projector augmented wave potentials. For each configuration, a geometric optimisation has been performed. A detailed analysis of the structural and electronic properties of the molecule and the surface in the most stable conformations is presented, showing the combined roles of the molecular distortion and the interactions between the molecule and the surface. Three structures with comparatively large adsorption energies are identified, all with the molecule plane parallel to the surface. Starting from these stabilised structures, various scenarios for the desulfurisation process have been envisaged. While, for the most stable structure, the formation of an adsorbed thiol is an activated process, with an energetic barrier of 0.70 eV, the two structures which are just a bit less stable can dissociate to a C 4H 4 species and a sulfur atom with barriers as low as 0.07 eV. A description of the different transition states and a kinetic analysis of the desulfurisation reaction is also presented.

  9. Simple concentration-dependent pair interaction model for large-scale simulations of Fe-Cr alloys

    International Nuclear Information System (INIS)

    Levesque, Maximilien; Martinez, Enrique; Fu, Chu-Chun; Nastar, Maylise; Soisson, Frederic

    2011-01-01

    This work is motivated by the need for large-scale simulations to extract physical information on the iron-chromium system that is a binary model alloy for ferritic steels used or proposed in many nuclear applications. From first-principles calculations and the experimental critical temperature we build a new energetic rigid lattice model based on pair interactions with concentration and temperature dependence. Density functional theory calculations in both norm-conserving and projector augmented-wave approaches have been performed. A thorough comparison of these two different ab initio techniques leads to a robust parametrization of the Fe-Cr Hamiltonian. Mean-field approximations and Monte Carlo calculations are then used to account for temperature effects. The predictions of the model are in agreement with the most recent phase diagram at all temperatures and compositions. The solubility of Cr in Fe below 700 K remains in the range of about 6 to 12%. It reproduces the transition between the ordering and demixing tendency and the spinodal decomposition limits are also in agreement with the values given in the literature.

  10. Ti2FeZ (Z=Al, Ga, Ge) alloys: Structural, electronic, and magnetic properties

    International Nuclear Information System (INIS)

    Liping, Mao; Yongfan, Shi; Yu, Han

    2014-01-01

    Using the first-principle projector augmented wave potential within the generalized gradient approximation taking into account the on-site Coulomb repulsive, we investigate the structural, electronic and magnetic properties of Ti 2 FeZ (Z=Al, Ga, Ge) alloys with Hg 2 CuTi-type structure. These alloys are found to be half-metallic ferrimagnets. The total magnetic moments of the Heusler alloys Ti 2 FeZ follow the µ t =Z t −18 rule and agree with the Slater–Pauling curve quite well. The band gaps are mainly determined by the bonding and antibonding states created from the hybridizations of the d states between the Ti(A)–Ti(B) coupling and Fe atom. - Highlights: • Ti 2 FeZ (Z=Al, Ga, Ge) are found to be half-metallic ferrimagnets. • The band gaps are mainly determined by the hybridizations of the d states between the Ti(A)–Ti(B) coupling and Fe atom. • The s–p elements play an important role in the half-metallicity of these Heusler alloys

  11. Ab initio study of C14 laves phases in Fe-based systems

    Directory of Open Access Journals (Sweden)

    Pavlu J.

    2012-01-01

    Full Text Available Structural properties and energetics of Fe-based C14 Laves phases at various compositions (i.e. Fe2Fe, Fe2X, X2Fe, X2X, where X stands for Si, Cr, Mo, W, Ta were investigated using the pseudopotential VASP (Vienna Ab initio Simulation Package code employing the PAW-PBE (Projector Augmented Wave - Perdew Burke-Ernzerhof pseudopotentials. Full relaxation was performed for all structures studied including the reference states of elemental constituents and the equilibrium structure parameters as well as bulk moduli were found. The structure parameters of experimentally found structures were very well reproduced by our calculations. It was also found that the lattice parameters and volumes of the unit cell decrease with increasing molar fraction of iron. Thermodynamic analysis shows that the Fe2X configurations of Laves phases are more stable than the X2Fe ones. Some of the X2Fe configurations are even unstable with respect to the weighted average of the Laves phases of elemental constituents. Our calculations predict the stability of Fe2Ta. On the other hand, Fe2Mo and Fe2W are slightly unstable (3.19 and 0.68 kJ.mol-1, respectively and hypothetical structures Fe2Cr and Fe2Si are found unstable as well.

  12. First-principles characterization of a heteroceramic interface: ZrO2(001) deposited on an alpha-Al2O3(1(1)over-bar02) substrate

    DEFF Research Database (Denmark)

    Christensen, Asbjørn; Carter, Emily A.

    2000-01-01

    We have studied an alumina/zirconia interface using the all-electron projector augmented wave formalism within density functional theory. We present the electronic, structural, and energetic properties of the ZrO2(001)/(alpha -Al2O3(1 (1) over bar 02) interface as well as of the free alpha -Al2O3......(1 (1) over bar 02) and ZrO2(001) surfaces. We find that the generalized gradient correction significantly lowers the oxide surface energies, compared to values obtained by the local density approximation. The monoclinic-tetragonal transition in ZrO2(001) thin films is discussed as well as strain...... effects involved in the interface formation. The stoichiometric alumina/zirconia interface is found to be weakly bonded, regardless of the film thickness, and the ZrO2(001)/alpha -Al2O3(1 (1) over bar 02) interface has a rather epitaxial character, due to a low lattice mismatch of similar to4%. The impact...

  13. Pressure induced structural transitions in Lead Chalcogenides and its influence on thermoelectric properties

    Science.gov (United States)

    Petersen, John; Spinks, Michael; Borges, Pablo; Scolfaro, Luisa

    2012-03-01

    Lead chalcogenides, most notably PbTe and PbSe, have become an active area of research due to their thermoelectric (TE) properties. The high figure of merit (ZT) of these materials has brought much attention to them, due to their ability to convert waste heat into electricity, with a possible application being in engine exhaust. Here, we examine the effects of altering the lattice parameter on total ground state energy and the band gap using first principles calculations performed within Density Functional Theory and the Projector Augmented Wave approach and the Vienna Ab-initio Simulation Package (VASP-PAW) code. Both PbTe and PbSe, in NaCl, orthorhombic, and CsCl structures are considered. It is found that altering the lattice parameter, which is analogous to applying external pressure on the material experimentally, has notable effects on both ground state energy and the band gap. The implications of this behavior in the TE properties of these materials are analyzed.

  14. QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials.

    Science.gov (United States)

    Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola; Calandra, Matteo; Car, Roberto; Cavazzoni, Carlo; Ceresoli, Davide; Chiarotti, Guido L; Cococcioni, Matteo; Dabo, Ismaila; Dal Corso, Andrea; de Gironcoli, Stefano; Fabris, Stefano; Fratesi, Guido; Gebauer, Ralph; Gerstmann, Uwe; Gougoussis, Christos; Kokalj, Anton; Lazzeri, Michele; Martin-Samos, Layla; Marzari, Nicola; Mauri, Francesco; Mazzarello, Riccardo; Paolini, Stefano; Pasquarello, Alfredo; Paulatto, Lorenzo; Sbraccia, Carlo; Scandolo, Sandro; Sclauzero, Gabriele; Seitsonen, Ari P; Smogunov, Alexander; Umari, Paolo; Wentzcovitch, Renata M

    2009-09-30

    QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). The acronym ESPRESSO stands for opEn Source Package for Research in Electronic Structure, Simulation, and Optimization. It is freely available to researchers around the world under the terms of the GNU General Public License. QUANTUM ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively parallel architectures, and a great effort being devoted to user friendliness. QUANTUM ESPRESSO is evolving towards a distribution of independent and interoperable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.

  15. Clean Os(0001) electronic surface states: A first-principle fully relativistic investigation

    Science.gov (United States)

    Urru, Andrea; Dal Corso, Andrea

    2018-05-01

    We analyze the electronic structure of the Os(0001) surface by means of first-principle calculations based on Fully Relativistic (FR) Density Functional Theory (DFT) and a Projector Augmented-Wave (PAW) approach. We investigate surface states and resonances analyzing their spin-orbit induced energy splitting and their spin polarization. The results are compared with previously studied surfaces Ir(111), Pt(111), and Au(111). We do not find any surface state in the gap similar to the L-gap of the (111) fcc surfaces, but find Rashba split resonances that cross the Fermi level and, as in the recently studied Ir(111) surface, have a characteristic downward dispersion. Moreover, for some selected surface states we study the spin polarization with respect to k∥, the wave-vector parallel to the surface. In some cases, such as the Rashba split resonances, the spin polarization shows a smooth behavior with slow rotations, in others the rotation is faster, due to mixing and anti-crossing of the states.

  16. Fate of half-metallicity near interfaces: The case of NiMnSb/MgO and NiMnSi/MgO

    KAUST Repository

    Zhang, Ruijing

    2014-08-27

    The electronic and magnetic properties of the interfaces between the half-metallic Heusler alloys NiMnSb, NiMnSi, and MgO have been investigated using first-principles density-functional calculations with projector augmented wave potentials generated in the generalized gradient approximation. In the case of the NiMnSb/MgO (100) interface, the half-metallicity is lost, whereas the MnSb/MgO contact in the NiMnSb/MgO (100) interface maintains a substantial degree of spin polarization at the Fermi level (∼60%). Remarkably, the NiMnSi/MgO (111) interface shows 100% spin polarization at the Fermi level, despite considerable distortions at the interface, as well as rather short Si/O bonds after full structural optimization. This behavior markedly distinguishes NiMnSi/MgO (111) from the corresponding NiMnSb/CdS and NiMnSb/InP interfaces. © 2014 American Chemical Society.

  17. The detailed orbital-decomposed electronic structures of tetragonal ZrO2

    International Nuclear Information System (INIS)

    Zhang, Yan; Ji, Vincent; Xu, Ke-Wei

    2013-01-01

    The detailed orbital-decomposed electronic structures of the tetragonal zirconia have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation (GGA) as well as taking into account the on-site Coulomb repulsive interaction (GGA+U). The deviation of the minimization energy from d z =0 to d z =±0.032 for experimental lattice constants (a=3.605 Å and c=5.180 Å) confirms the alternating displacement of the oxygen atoms, which causes half of the Zr---O bonds stronger and the other half weaker compared with the bonds in symmetric (d z =0) zirconia. The distorted tetragonal environment of the eight oxygen anions around Zr site splits the five-fold degenerate d states of a free Zr atom into triply degenerate t 2g (d xy , d yz and d zx ) states and doubly degenerate e g (d z 2 and d x 2 -y 2 ) states. The additional covalent character upon Zr-O ionic bonds are resulted from the hybridization between the O(2s), O(2p) and Zr(5s), triply degenerate t 2g (d xy , d yz and d zx ) states of Zr(4d). The O(2s) and O(2p) states are clearly separated and no hybrid bonding states are formed

  18. Tunable SnO2 Nanoribbon by Electric Fields and Hydrogen Passivation

    Directory of Open Access Journals (Sweden)

    Xin-Lian Chen

    2017-01-01

    Full Text Available Under external transverse electronic fields and hydrogen passivation, the electronic structure and band gap of tin dioxide nanoribbons (SnO2NRs with both zigzag and armchair shaped edges are studied by using the first-principles projector augmented wave (PAW potential with the density function theory (DFT framework. The results showed that the electronic structures of zigzag and armchair edge SnO2NRs exhibit an indirect semiconducting nature and the band gaps demonstrate a remarkable reduction with the increase of external transverse electronic field intensity, which demonstrate a giant Stark effect. The value of the critical electric field for bare Z-SnO2NRs is smaller than A-SnO2NRs. In addition, the different hydrogen passivation nanoribbons (Z-SnO2NRs-2H and A-SnO2NRs-OH show different band gaps and a slightly weaker Stark effect. The band gap of A-SnO2NRs-OH obviously is enhanced while the Z-SnO2NRs-2H reduce. Interestingly, the Z-SnO2NRs-OH presented the convert of metal-semiconductor-metal under external transverse electronic fields. In the end, the electronic transport properties of the different edges SnO2NRs are studied. These findings provide useful ways in nanomaterial design and band engineering for spintronics.

  19. Intra- und intermolecular hydrogen bonds. Spectroscopic, quantum chemical and molecular dynamics studies

    International Nuclear Information System (INIS)

    Simperler, A.

    1999-03-01

    interaction and (ii) a (mostly) repulsive interaction between the phenolic oxygen atom and the other non-H-bonded carbonyl substituent. 3. Proton motion and proton transfer in the formic acid dimmer. A PAW molecular dynamics study. A first principles molecular dynamic study on proton motion and double proton transfer in the formic acid dimmer has been performed with the 'Projector Augmented Wave' method. Trajectories were calculated with a time interval of 0.12 fs for evolution time periods up to 20 ps and for temperatures in the range from 500-700 K. Four typical situations could be distinguished: (i) normal periods, in which the proton remains firmly trapped at one oxygen atom, (ii) isolated transitions, where the proton rapidly moves from one to the other oxygen atom, (iii) crossing-recrossing events, where the proton moves from on to the other oxygen atom but immediately turns back (iv) shuttling transition regions, where several consecutive proton transitions take place. Moreover, one may distinguish between single processes, where only one O-H..O group is involved, or double processes, where both O-H..O groups are simultaneously involved. (author)

  20. Die singulation method

    Science.gov (United States)

    Swiler, Thomas P.; Garcia, Ernest J.; Francis, Kathryn M.

    2013-06-11

    A method is disclosed for singulating die from a semiconductor substrate (e.g. a semiconductor-on-insulator substrate or a bulk silicon substrate) containing an oxide layer (e.g. silicon dioxide or a silicate glass) and one or more semiconductor layers (e.g. monocrystalline or polycrystalline silicon) located above the oxide layer. The method etches trenches through the substrate and through each semiconductor layer about the die being singulated, with the trenches being offset from each other around at least a part of the die so that the oxide layer between the trenches holds the substrate and die together. The trenches can be anisotropically etched using a Deep Reactive Ion Etching (DRIE) process. After the trenches are etched, the oxide layer between the trenches can be etched away with an HF etchant to singulate the die. A release fixture can be located near one side of the substrate to receive the singulated die.

  1. Epitope prediction methods

    DEFF Research Database (Denmark)

    Karosiene, Edita

    Analysis. The chapter provides detailed explanations on how to use different methods for T cell epitope discovery research, explaining how input should be given as well as how to interpret the output. In the last chapter, I present the results of a bioinformatics analysis of epitopes from the yellow fever...... peptide-MHC interactions. Furthermore, using yellow fever virus epitopes, we demonstrated the power of the %Rank score when compared with the binding affinity score of MHC prediction methods, suggesting that this score should be considered to be used for selecting potential T cell epitopes. In summary...... immune responses. Therefore, it is of great importance to be able to identify peptides that bind to MHC molecules, in order to understand the nature of immune responses and discover T cell epitopes useful for designing new vaccines and immunotherapies. MHC molecules in humans, referred to as human...

  2. Methods for forming particles

    Science.gov (United States)

    Fox, Robert V.; Zhang, Fengyan; Rodriguez, Rene G.; Pak, Joshua J.; Sun, Chivin

    2016-06-21

    Single source precursors or pre-copolymers of single source precursors are subjected to microwave radiation to form particles of a I-III-VI.sub.2 material. Such particles may be formed in a wurtzite phase and may be converted to a chalcopyrite phase by, for example, exposure to heat. The particles in the wurtzite phase may have a substantially hexagonal shape that enables stacking into ordered layers. The particles in the wurtzite phase may be mixed with particles in the chalcopyrite phase (i.e., chalcopyrite nanoparticles) that may fill voids within the ordered layers of the particles in the wurtzite phase thus produce films with good coverage. In some embodiments, the methods are used to form layers of semiconductor materials comprising a I-III-VI.sub.2 material. Devices such as, for example, thin-film solar cells may be fabricated using such methods.

  3. Motor degradation prediction methods

    Energy Technology Data Exchange (ETDEWEB)

    Arnold, J.R.; Kelly, J.F.; Delzingaro, M.J.

    1996-12-01

    Motor Operated Valve (MOV) squirrel cage AC motor rotors are susceptible to degradation under certain conditions. Premature failure can result due to high humidity/temperature environments, high running load conditions, extended periods at locked rotor conditions (i.e. > 15 seconds) or exceeding the motor`s duty cycle by frequent starts or multiple valve stroking. Exposure to high heat and moisture due to packing leaks, pressure seal ring leakage or other causes can significantly accelerate the degradation. ComEd and Liberty Technologies have worked together to provide and validate a non-intrusive method using motor power diagnostics to evaluate MOV rotor condition and predict failure. These techniques have provided a quick, low radiation dose method to evaluate inaccessible motors, identify degradation and allow scheduled replacement of motors prior to catastrophic failures.

  4. The random projection method

    CERN Document Server

    Vempala, Santosh S

    2005-01-01

    Random projection is a simple geometric technique for reducing the dimensionality of a set of points in Euclidean space while preserving pairwise distances approximately. The technique plays a key role in several breakthrough developments in the field of algorithms. In other cases, it provides elegant alternative proofs. The book begins with an elementary description of the technique and its basic properties. Then it develops the method in the context of applications, which are divided into three groups. The first group consists of combinatorial optimization problems such as maxcut, graph coloring, minimum multicut, graph bandwidth and VLSI layout. Presented in this context is the theory of Euclidean embeddings of graphs. The next group is machine learning problems, specifically, learning intersections of halfspaces and learning large margin hypotheses. The projection method is further refined for the latter application. The last set consists of problems inspired by information retrieval, namely, nearest neig...

  5. Grid generation methods

    CERN Document Server

    Liseikin, Vladimir D

    2010-01-01

    This book is an introduction to structured and unstructured grid methods in scientific computing, addressing graduate students, scientists as well as practitioners. Basic local and integral grid quality measures are formulated and new approaches to mesh generation are reviewed. In addition to the content of the successful first edition, a more detailed and practice oriented description of monitor metrics in Beltrami and diffusion equations is given for generating adaptive numerical grids. Also, new techniques developed by the author are presented, in particular a technique based on the inverted form of Beltrami’s partial differential equations with respect to control metrics. This technique allows the generation of adaptive grids for a wide variety of computational physics problems, including grid clustering to given function values and gradients, grid alignment with given vector fields, and combinations thereof. Applications of geometric methods to the analysis of numerical grid behavior as well as grid ge...

  6. Cross-impact method

    Directory of Open Access Journals (Sweden)

    Suzić Nenad

    2014-01-01

    Full Text Available The paper displays the application of the Cross-Impact method in pedagogy, namely a methodological approach which crosses variables in a novel, but statistically justified manner. The method is an innovation in pedagogy as well as in research methodology of social and psychological phenomena. Specifically, events and processes are crossed, that is, experts' predictions of about future interaction of events and processes. Therefore, this methodology is futuristic; it concerns predicting future, which is of key importance for pedagogic objectives. The paper presents two instances of the cross-impact approach: the longer, displayed in fourteen steps, and the shorter, in four steps. They are both accompanied with mathematic and statistical formulae allowing for quantification, that is, a numerical expression of the probability of a certain event happening in the future. The advantage of this approach is that it facilitates planning in education which so far has been solely based on lay estimates and assumptions.

  7. Method through motion

    DEFF Research Database (Denmark)

    Steijn, Arthur

    2016-01-01

    Contemporary scenography often consists of video-projected motion graphics. The field is lacking in academic methods and rigour: descriptions and models relevant for the creation as well as in the analysis of existing works. In order to understand the phenomenon of motion graphics in a scenographic...... construction as a support to working systematically practice-led research project. The design model is being developed through design laboratories and workshops with students and professionals who provide feedback that lead to incremental improvements. Working with this model construction-as-method reveals...... context, I have been conducting a practice-led research project. Central to the project is construction of a design model describing sets of procedures, concepts and terminology relevant for design and studies of motion graphics in spatial contexts. The focus of this paper is the role of model...

  8. Semiconductor testing method

    International Nuclear Information System (INIS)

    Brown, Stephen.

    1992-01-01

    In a method of avoiding use of nuclear radiation, eg gamma rays, X-rays, electron beams, for testing semiconductor components for resistance to hard radiation, which hard radiation causes data corruption in some memory devices and 'latch-up' in others, similar fault effects can be achieved using a xenon or other 'light' flash gun even though the penetration of light is significantly less than that of gamma rays. The method involves treating a device with gamma radiation, measuring a particular fault current at the onset of a fault event, repeating the test with light to confirm the occurrence of the fault event at the same measured fault current, and using the fault current value as a reference for future tests using light on similar devices. (author)

  9. Quaternary dating methods

    International Nuclear Information System (INIS)

    Mahaney, W.C.

    1984-01-01

    The papers in this book cover absolute, relative and multiple dating methods, and have been written by specialists from a number of different earth sciences disciplines - their common interest being the dating of geological materials within the Quaternary. Papers on absolute dating methods discuss radiocarbon, uranium-series, potassium argon, 40 Ar/ 39 Ar, paleomagnetic, obsidian hydration, thermoluminescence, amino acid racemization, tree rings, and lichenometric techniques. Those on relative dating include discussions on various geomorphic relative age indicators such as drainage density changes, hypsometric integrals, bifurcation ratios, stream junction angles, spur morphology, hillslope geometry, and till sheet characteristics. The papers on multiple dating cite examples from the Rocky Mountains, Australia, Lake Agassiz Basin, and the Southern Andes. Also included is the panel discussion which reviews and assesses the information presented, and a field trip guide which discusses the sequences of Wisconian tills and interlayered lacustrine and fluvial sediments. (orig.)

  10. method with pseudopotentials

    International Nuclear Information System (INIS)

    Szasz, L.

    1980-01-01

    The Xα method for an atom or molecule is transformed into an all-electron pseudopotential formalism. The equations of the Xα method are exactly transformed into pseudo-orbital equations and the resulting pseudopotentials are replaced by simple density-dependent potentials derived from Thomas-Fermi model. It is shown that the new formalism satisfies the virial theorem. As the first application it is shown that the model explains the shell-structure of atoms by the property that the pseudo-orbitals for the (ns), (np), (nd) etc. electrons are, in a very good approximation, the solutions of the same equation and have their maxima at the same point thereby creating the peaks in the radial density characterizing the shell structure. (orig.)

  11. Developments in Surrogating Methods

    Directory of Open Access Journals (Sweden)

    Hans van Dormolen

    2005-11-01

    Full Text Available In this paper, I would like to talk about the developments in surrogating methods for preservation. My main focus will be on the technical aspects of preservation surrogates. This means that I will tell you something about my job as Quality Manager Microfilming for the Netherlands’ national preservation program, Metamorfoze, which is coordinated by the National Library. I am responsible for the quality of the preservation microfilms, which are produced for Metamorfoze. Firstly, I will elaborate on developments in preservation methods in relation to the following subjects: · Preservation microfilms · Scanning of preservation microfilms · Preservation scanning · Computer Output Microfilm. In the closing paragraphs of this paper, I would like to tell you something about the methylene blue test. This is an important test for long-term storage of preservation microfilms. Also, I will give you a brief report on the Cellulose Acetate Microfilm Conference that was held in the British Library in London, May 2005.

  12. Motor degradation prediction methods

    International Nuclear Information System (INIS)

    Arnold, J.R.; Kelly, J.F.; Delzingaro, M.J.

    1996-01-01

    Motor Operated Valve (MOV) squirrel cage AC motor rotors are susceptible to degradation under certain conditions. Premature failure can result due to high humidity/temperature environments, high running load conditions, extended periods at locked rotor conditions (i.e. > 15 seconds) or exceeding the motor's duty cycle by frequent starts or multiple valve stroking. Exposure to high heat and moisture due to packing leaks, pressure seal ring leakage or other causes can significantly accelerate the degradation. ComEd and Liberty Technologies have worked together to provide and validate a non-intrusive method using motor power diagnostics to evaluate MOV rotor condition and predict failure. These techniques have provided a quick, low radiation dose method to evaluate inaccessible motors, identify degradation and allow scheduled replacement of motors prior to catastrophic failures

  13. Thermoluminescence dating method

    International Nuclear Information System (INIS)

    Zink, A.

    2004-01-01

    A crystal that is submitted to radiation stores energy and releases this energy under the form of light whenever it is heated. These 2 properties: the ability to store energy and the ability to reset the energy stored are the pillars on which time dating methods like thermoluminescence are based. A typical accuracy of the thermoluminescence method is between 5 to 7% but an accuracy of 3% can be reached with a sufficient number of measurement. This article describes the application of thermoluminescence to the dating of a series of old terra-cotta statues. This time measurement is absolute and does not require any calibration, it represents the time elapsed since the last heating of the artifact. (A.C.)

  14. Method of reducing zirconium

    International Nuclear Information System (INIS)

    Megy, J.A.

    1980-01-01

    A method was developed for making nuclear-grade zirconium from a zirconium compound, which ismore economical than previous methods since it uses aluminum as the reductant metal rather than the more expensive magnesium. A fused salt phase containing the zirconium compound to be reduced is first prepared. The fused salt phase is then contacted with a molten metal phase which contains aluminum and zinc. The reduction is effected by mutual displacment. Aluminum is transported from the molten metal phase to the fused salt phase, replacing zirconium in the salt. Zirconium is transported from the fused salt phase to the molten metal phase. The fused salt phase and the molten metal phase are then separated, and the solvent metal and zirconium are separated by distillation or other means. (DN)

  15. INNOVATIVE SALES METHODS

    Directory of Open Access Journals (Sweden)

    Roxana L. IONESCU

    2014-06-01

    Full Text Available Companies operating in a global economy that is constantly changing and developming, especially during the financial crisis and political instability. It is necessary to adapt and develop sales methods in such environment. For large companies who base their activity on sales it has become a necessity to learn different types of sales approaches because their knowledge enables them to grow the number of customers and therefore the sales and the turnover. This paper aims to exame the most effective sales methods used on the highly sensitive economic and social environment – the insurance market. In the field of insurances, the sales process is even more important because sellers need to sell an intangible product that may materialize in the future, but there is no certainty.

  16. in the DSMC Method

    Directory of Open Access Journals (Sweden)

    Fong-Zhi Chen

    2001-01-01

    Full Text Available In this study, the Plücker coordinates representation is used to formulate the ruled surface and the molecular path for pumping speed performance evaluation of a molecular vacuum pump. The ruled surface represented by the Pliicker coordinates is used to develop a criterion for when gas molecules hit the pump surface wall. The criterion is applied to analyze the flow rate of a new developed vacuum pump in transition regimes by using the DSMC (Direct Simulation Monte Carlo method. When a molecule flies in a neutral electrical field its path is a straight line. If the molecular path and the generators of a ruled surface are both represented by the Pliicker coordinates, the position of the molecular hit on the wall can be verified by the reciprocal condition of the lines. The Plücker coordinates representation is quite convenient in the DSMC method for this three-dimensional molecular flow simulation.

  17. Method card design dimensions

    DEFF Research Database (Denmark)

    Wölfel, Christiane; Merritt, T.

    2013-01-01

    There are many examples of cards used to assist or provide structure to the design process, yet there has not been a thorough articulation of the strengths and weaknesses of the various examples. We review eighteen card-based design tools in order to understand how they might benefit designers....... The card-based tools are explained in terms of five design dimensions including the intended purpose and scope of use, duration of use, methodology, customization, and formal/material qualities. Our analysis suggests three design patterns or archetypes for existing card-based design method tools...... and highlights unexplored areas in the design space. The paper concludes with recommendations for the future development of card-based methods for the field of interaction design....

  18. Ion sensing method

    Science.gov (United States)

    Smith, Richard Harding; Martin, Glenn Brian

    2004-05-18

    The present invention allows the determination of trace levels of ionic substances in a sample solution (ions, metal ions, and other electrically charged molecules) by coupling a separation method, such as liquid chromatography, with ion selective electrodes (ISE) prepared so as to allow detection at activities below 10.sup.-6 M. The separation method distributes constituent molecules into fractions due to unique chemical and physical properties, such as charge, hydrophobicity, specific binding interactions, or movement in an electrical field. The separated fractions are detected by means of the ISE(s). These ISEs can be used singly or in an array. Accordingly, modifications in the ISEs are used to permit detection of low activities, specifically, below 10.sup.-6 M, by using low activities of the primary analyte (the molecular species which is specifically detected) in the inner filling solution of the ISE. Arrays constructed in various ways allow flow-through sensing for multiple ions.

  19. Laser device and method

    International Nuclear Information System (INIS)

    Myers, J.D.

    1986-01-01

    A method is described of treatment of opacity of the lens of an eye resulting from foreign matter at the back surface of the eye lens within the vitreous fluid body of the eye with a passively Q-switched laser device. The method consists of: (a) generating a single lasing pulse emitted from the laser device focused within the eye vitreous fluid body, spaced from the lens back surface, creating a microplasma dot in the vitreous fluid body (b) then increasing the frequency of the lasing pulses emitted from the lasing device having a frequency greater than the life of the microplasma to generate an elongated lasing plasma within the eye vitreous fluid moving toward the lens back surface, until the elongated lasing plasma contacts and destroys the foreign matter

  20. Dislocation-dynamics method

    International Nuclear Information System (INIS)

    Van Brutzel, L.

    2015-01-01

    Dislocation-Dynamics (DD) technique is identified as the method able to model the evolution of material plastic properties as a function of the microstructural transformation predicted at the atomic scale. Indeed, it is the only simulation method capable of taking into account the collective behaviour of a large number of dislocations inside a realistic microstructure. DD simulations are based on the elastic dislocation theory following rules inherent to the dislocation core structure often call 'local rules'. All the data necessary to establish the local rules for DD have to come directly from experiment or alternatively from simulations carried out at the atomic scale such as molecular dynamics or ab initio calculations. However, no precise information on the interaction between two dislocations or between dislocations and defects induced by irradiation are available for nuclear fuels. Therefore, in this article the DD technique will be presented and some examples are given of what can be achieved with it. (author)