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Sample records for based multireference configuration

  1. Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

    DEFF Research Database (Denmark)

    Silva-Junior, Mario R.; Schreiber, Marko; Sauer, Stephan P. A.;

    2008-01-01

    Time-dependent density functional theory (TD-DFT) and DFT-based multireference configuration interaction (DFT/MRCI) calculations are reported for a recently proposed benchmark set of 28 medium-sized organic molecules. Vertical excitation energies, oscillator strengths, and excited-state dipole...... moments are computed using the same geometries (MP2/6-31G*) and basis set (TZVP) as in our previous ab initio benchmark study on electronically excited states. The results from TD-DFT (with the functionals BP86, B3LYP, and BHLYP) and from DFT/MRCI are compared against the previous high-level ab initio...

  2. Assessing the density functional theory-based multireference configuration interaction (DFT/MRCI) method for transition metal complexes.

    Science.gov (United States)

    Escudero, Daniel; Thiel, Walter

    2014-05-21

    We report an assessment of the performance of density functional theory-based multireference configuration interaction (DFT/MRCI) calculations for a set of 3d- and 4d-transition metal (TM) complexes. The DFT/MRCI results are compared to published reference data from reliable high-level multi-configurational ab initio studies. The assessment covers the relative energies of different ground-state minima of the highly correlated CrF6 complex, the singlet and triplet electronically excited states of seven typical TM complexes (MnO4(-), Cr(CO)6, [Fe(CN)6](4-), four larger Fe and Ru complexes), and the corresponding electronic spectra (vertical excitation energies and oscillator strengths). It includes comparisons with results from different flavors of time-dependent DFT (TD-DFT) calculations using pure, hybrid, and long-range corrected functionals. The DFT/MRCI method is found to be superior to the tested TD-DFT approaches and is thus recommended for exploring the excited-state properties of TM complexes.

  3. Comparison of fully internally and strongly contracted multireference configuration interaction procedures

    Science.gov (United States)

    Sivalingam, Kantharuban; Krupicka, Martin; Auer, Alexander A.; Neese, Frank

    2016-08-01

    Multireference (MR) methods occupy an important class of approaches in quantum chemistry. In many instances, for example, in studying complex magnetic properties of transition metal complexes, they are actually the only physically satisfactory choice. In traditional MR approaches, single and double excitations are performed with respect to all reference configurations (or configuration state functions, CSFs), which leads to an explosive increase of computational cost for larger reference spaces. This can be avoided by the internal contraction scheme proposed by Meyer and Siegbahn, which effectively reduces the number of wavefunction parameters to their single-reference counterpart. The "fully internally contracted" scheme (FIC) is well known from the popular CASPT2 approach. An even shorter expansion of the wavefunction is possible with the "strong contraction" (SC) scheme proposed by Angeli and Malrieu in their NEVPT2 approach. Promising multireference configuration interaction formulations (MRCI) employing internal contraction and strong contraction have been reported by several authors. In this work, we report on the implementation of the FIC-MRCI and SC-MRCI methodologies, using a computer assisted implementation strategy. The methods are benchmarked against the traditional uncontracted MRCI approach for ground and excited states of small molecules (N2, O2, CO, CO+, OH, CH, and CN). For ground states, the comparison includes the "partially internally contracted" MRCI based on the Celani-Werner ansatz (PC-MRCI). For the three contraction schemes, the average errors range from 2% to 6% of the uncontracted MRCI correlation energies. Excitation energies are reproduced with ˜0.2 eV accuracy. In most cases, the agreement is better than 0.2 eV, even in cases with very large differential correlation contributions as exemplified for the d-d and ligand-to-metal charge transfer transitions of a Cu [NH 3 ] 4 2 + model complex. The benchmark is supplemented with the

  4. Multi-reference configuration-interaction calculations on multiply charged ions of carbon monosulfide

    Institute of Scientific and Technical Information of China (English)

    Yan Bing; Zhang Yu-Juan

    2013-01-01

    The potential energy curves for neutrals and multiply charged ions of carbon monosulfide are computed with highly correlated multi-reference configuration interaction wavefunctions.The correlations of inner-shell electrons with the scalar relativistic effects are included in the present computations.The spectroscopic constants,dissociation energies,ionization energies for ground and low-lying excited states together with corresponding electronic configurations of ions are obtained,and a good agreement between the present work and existing experiments is found.No theoretical evidence is found for the adiabatically stable CSq+ (q > 2) ions according to the present ab initio calculations.The calculated values for lst-6th ionization energies are 11.25,32.66,64.82,106.25,159.75,and 224.64 eV,respectively.The kinetic energy release data of fragments are provided by the present work for further experimental comparisons.

  5. Multireference configuration interaction calculations of the first six ionization potentials of the uranium atom

    Energy Technology Data Exchange (ETDEWEB)

    Bross, David H.; Parmar, Payal; Peterson, Kirk A., E-mail: kipeters@wsu.edu [Department of Chemistry, Washington State University, Pullman, Washington 99164-4630 (United States)

    2015-11-14

    The first 6 ionization potentials (IPs) of the uranium atom have been calculated using multireference configuration interaction (MRCI+Q) with extrapolations to the complete basis set limit using new all-electron correlation consistent basis sets. The latter was carried out with the third-order Douglas-Kroll-Hess Hamiltonian. Correlation down through the 5s5p5d electrons has been taken into account, as well as contributions to the IPs due to the Lamb shift. Spin-orbit coupling contributions calculated at the 4-component Kramers restricted configuration interaction level, as well as the Gaunt term computed at the Dirac-Hartree-Fock level, were added to the best scalar relativistic results. The final ionization potentials are expected to be accurate to at least 5 kcal/mol (0.2 eV) and thus more reliable than the current experimental values of IP{sub 3} through IP{sub 6}.

  6. Ab initio multi-reference configuration interaction of the low-lying states of the AsP molecule

    Institute of Scientific and Technical Information of China (English)

    Ling Zhang; Chuanlu Yang; Tingqi Ren; Meishan Wang

    2008-01-01

    Nine low-lying electronic states of the AsP molecule, including Σ+, Ⅱ, and △ symmetries with singlet, triplet, and quintet spin multiplicities, are studied using multi-reference configuration interaction method.The potential energy curves and the spectroscopic constants of these nine states are determined, and compared with the experimental observed data as well as other theoretical works available at present.Three quintet states are reported for the first time.Furthermore, the analytical potential energy functions of these states are fitted using Murrell-Sorbie function and least square fitting method.

  7. Assessment of Multireference Approaches to Explicitly Correlated Full Configuration Interaction Quantum Monte Carlo

    CERN Document Server

    Kersten, Jennifer; Alavi, Ali

    2016-01-01

    The Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method has proved able to provide near-exact solutions to the electronic Schr\\"odinger equation within a finite orbital basis set, without relying on an expansion about a reference state. However, a drawback to the approach is that being based on an expansion of Slater determinants, the FCIQMC method suffers from a basis set incompleteness error that decays very slowly with the size of the employed single particle basis. The FCIQMC results obtained in a small basis set can be improved significantly with explicitly correlated techniques. Here, we present a study that assesses and compares two contrasting `universal' explicitly correlated approaches that fit into the FCIQMC framework; the $[2]_{R12}$ method of Valeev {\\em et al.}, and the explicitly correlated canonical transcorrelation approach of Yanai {\\em et al}. The former is an {\\em a posteriori} internally-contracted perturbative approach, while the latter transforms the Hamiltonian prior to...

  8. Assignment of the electronic states of pyrazole by ab initio multi-reference configuration interaction calculations

    Energy Technology Data Exchange (ETDEWEB)

    Palmer, Michael H.; Guest, Martyn F

    2003-07-01

    The gas-phase VUV absorption spectrum of pyrazole, which we reported recently, has been further assigned in the light of multi-reference multi-root CI calculations, using basis sets of varying size up to quadruple zeta quality, and containing both valence and Rydberg type functions. A very intense VUV band centred near 7.8 eV appears to arise from the summation of three calculated bands of {pi}{pi}* character, of which the first and third are the most intense. The window resonance near the band maximum is ascribed to mutual annihilation of a Rydberg state and valence state, and a probable assignment is discussed. The electron energy loss (EEL) spectrum also obtained previously, showed low-lying triplet states at about 3.9 and 5.1 eV, respectively; the present computations suggest that two triplet ({sup 3}{pi}{pi}*) states lie within the 3.9 eV band, and identifies the species involved. The assignment of the UV-photoelectron spectrum has been reconsidered, but the identity of the first three IPs as {pi}{sub 3}<{pi}{sub 2}

  9. Multireference configuration interaction potential curve and analytical potential energy function of the ground and low-lying excited states of CdSe

    Institute of Scientific and Technical Information of China (English)

    Gao Feng; Yang Chuan-Lu; Hu Zhen-Yan; Wang Mei-Shan

    2007-01-01

    The potential energy curves (PECs) of the ground state (3Π) and three low-lying excited states (1∑, 3∑,1Π) of CdSe dimer have been studied by emploging quasirelativistic effective core potentials on the basis of the complete active space self-consistent field method followed by multireference configuration interaction calculation. The four PECs are fitted to analytical potential energy functions using the Murrel-Sorbie potential function. Based on the PECs,the vibrational levels of the four states are determined by solving the Schr(o)dinger equation of nuclear motion, and corresponding spectroscopic contants are accurately calculated. The equilibrium positions as well as the spectroscopic constants and the vibrational levels are reported. By our analysis, the 3Π state, of which the dissociation asymptote is Cd(1S) + Se(3p), is identified as a ground state of CdSe dimer, and the corresponding dissociation energy is estimated to be 0.39eV. However, the first excited state is only 1132.49cm-1 above the ground state and the 3∑ state is the highest in the four calculated states.

  10. Intersystem-crossing and phosphorescence rates in fac-Ir{sup III}(ppy){sub 3}: A theoretical study involving multi-reference configuration interaction wavefunctions

    Energy Technology Data Exchange (ETDEWEB)

    Kleinschmidt, Martin; Marian, Christel M., E-mail: Christel.Marian@hhu.de [Institute of Theoretical and Computational Chemistry, Heinrich-Heine-University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf (Germany); Wüllen, Christoph van [Fachbereich Chemie and Forschungszentrum OPTIMAS, Technical University of Kaiserslautern, Erwin-Schrödinger-Straße 52, 67663 Kaiserslautern (Germany)

    2015-03-07

    We have employed combined density functional theory and multi-reference configuration interaction methods including spin–orbit coupling (SOC) effects to investigate the photophysics of the green phosphorescent emitter fac-tris-(2-phenylpyridine)iridium (fac-Ir(ppy){sub 3}). A critical evaluation of our quantum chemical approaches shows that a perturbational treatment of SOC is the method of choice for computing the UV/Vis spectrum of this heavy transition metal complex while multi-reference spin–orbit configuration interaction is preferable for calculating the phosphorescence rates. The particular choice of the spin–orbit interaction operator is found to be of minor importance. Intersystem crossing (ISC) rates have been determined by Fourier transformation of the time correlation function of the transition including Dushinsky rotations. In the electronic ground state, fac-Ir(ppy){sub 3} is C{sub 3} symmetric. The calculated UV/Vis spectrum is in excellent agreement with experiment. The effect of SOC is particularly pronounced for the metal-to-ligand charge transfer (MLCT) band in the visible region of the absorption spectrum which does not only extend its spectral onset towards longer wavelengths but also experiences a blue shift of its maximum. Pseudo-Jahn-Teller interaction leads to asymmetric coordinate displacements in the lowest MLCT states. Substantial electronic SOC and a small energy gap make ISC an ultrafast process in fac-Ir(ppy){sub 3}. For the S{sub 1}↝T{sub 1} non-radiative transition, we compute a rate constant of k{sub ISC} = 6.9 × 10{sup 12} s{sup −1} which exceeds the rate constant of radiative decay to the electronic ground state by more than six orders of magnitude, in agreement with the experimental observation of a subpicosecond ISC process and a triplet quantum yield close to unity. As a consequence of the geometric distortion in the T{sub 1} state, the T{sub 1} → S{sub 0} transition densities are localized on one of the

  11. Spectroscopic investigations on NO+(X1∑+, a3∑+,A1Ⅱ) ion using multi-reference configuration interaction method and correlation-consistent sextuple basis set augmented with diffuse functions

    Institute of Scientific and Technical Information of China (English)

    Zhang Jin-Ping; Cheng Xin-Lu; Zhang Hong; Yang Xiang-Dong

    2011-01-01

    Three low-lying electronic states (X1∑+, a3∑+, and A1Ⅱ) of NO+ ion are studied using the complete active space self-consistent-field (CASSCF) method followed by highly accurate valence internally contracted multi-reference configuration interaction (MRCI) approach in combination of the correlation-consistent sextuple basis set augmented with diffuse functions, aug-cc-pV6Z. The potential energy curves (PECs) of the NO+(X1∑+, a3∑+, A1Ⅱ) are calculated. Based on the PECs, the spectroscopic parameters Re, De, ωe, ωeXe, αe, Be, and D0 are reproduced, which are in excellent agreement with the available measurements. By numerically solving the radial Schr(o)dinger equation of nuclear motion using the Numerov method, the first 20 vibrational levels, inertial rotation and centrifugal distortion constants of NO+(X1∑+, a3∑+, A1Ⅱ) ion are derived when the rotational quantum number J is equal to zero (J = 0)for the first time, which accord well with the available measurements. Finally, the analytical potential energy functions of these states are fitted, which are used to accurately derive the first 20 classical turning points when J = 0. These results are compared in detail with those of previous investigations reported in the literature.

  12. Relativistic internally contracted multireference electron correlation methods

    CERN Document Server

    Shiozaki, Toru

    2015-01-01

    We report internally contracted relativistic multireference configuration interaction (ic-MRCI), complete active space second-order perturbation (CASPT2), and strongly contracted n-electron valence state perturbation theory (NEVPT2) on the basis of the four-component Dirac Hamiltonian, enabling accurate simulations of relativistic, quasi-degenerate electronic structure of molecules containing transition-metal and heavy elements. Our derivation and implementation of ic-MRCI and CASPT2 are based on an automatic code generator that translates second-quantized ans\\"atze to tensor-based equations, and to efficient computer code. NEVPT2 is derived and implemented manually. The rovibrational transition energies and absorption spectra of HI and TlH are presented to demonstrate the accuracy of these methods.

  13. Comparison of some multireference electronic structure methods in illustrative applications

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The performances of several multireference electronic structure methods including complete active space self-consistent field (CASSCF)-based second-order perturbation theory (CASPT2), multireference configuration interaction with single and double excitations (MR-CISD), MR-CISD with the Davidson correction (MR-CISD+Q), and the CASSCF-based block-correlated coupled cluster method (CAS-BCCC4) we developed recently are compared by applying them to study several different chemical problems involving computation of ground state potential energy surfaces, the singlet-triplet gaps in diradicals, reaction barriers, and the excitation energies of low-lying excited states. Comparison with the results from other highly accurate theoretical methods or the available experimental data demonstrate that for all the problems studied, the overall performance of CAS-BCCC4 is competitive with that of MR-CISD+Q, and better than that of CASPT2 and MR-CISD methods. Thus the CAS-BCCC4 approach is expected to be a promising theoretical method for quantitative descriptions of the electronic structures of molecules with noticeable multireference character.

  14. Multireference linearized Coupled Cluster theory for strongly correlated systems using Matrix Product States

    OpenAIRE

    Sharma, Sandeep; Alavi, Ali

    2015-01-01

    We propose a multireference linearized coupled cluster theory using matrix product states (MPS-LCC) which provides remarkably accurate ground-state energies, at a computational cost that has the same scaling as multireference configuration interaction singles and doubles (MRCISD), for a wide variety of electronic Hamiltonians. These range from first-row dimers at equilibrium and stretched geometries, to highly multireference systems such as the chromium dimer and lattice models such as period...

  15. The molecular and electronic states of 1,2,4,5-tetrazine studied by VUV absorption, near-threshold electron energy-loss spectroscopy and ab initio multi-reference configuration interaction studies

    Science.gov (United States)

    Palmer, Michael H.; McNab, Hamish; Reed, David; Pollacchi, Anne; Walker, Isobel C.; Guest, Martyn F.; Siggel, Michele R. F.

    1997-01-01

    The VUV electronic absorption spectrum of 1,2,4,5-tetrazine has been re-investigated, and together with electron energy-loss spectra has led to identification of a number of new excited states. The valence and Rydberg excited states have been studied by multi-reference multi-root configuration interaction studies using MRDCI techniques. Initial studies with the RPA and TDA methods gave almost identical results for the excitation energies, but there is a substantial energy-lowering in the MRDCI calculations, which improves agreement with experiment substantially; these differences are a result of the double, triple and quadruple excited reference configurations included in the reference set of the latter method. The 1ππ ∗ excitations are calculated rather higher than experiment, except for the lowest-lying (weak) 1B 2u state at 5.0 eV. The calculated order for the next three ππ ∗ states is 1B 1u (weak) followed by 1B 2u (strong) and 1B 1u (strong), the last two bands being responsible for the dominant absorption near 7.5 and 8.5 eV. All of this group of four bands involve excitations from the pair of MOs 1b 2g and 1b 1g into the 1a u∗ and 4b 3u∗ VMOs. The sequence of nπ ∗ stakes are in a similar order to the ππ ∗ excitations, with respect to the upper state, and the two lowest singlet states, 1B 3u and 1A u are reasonably well determined. The triplet states follow a similar order to the singlets, and again the dominance of the effect of the two lowest VMOs is demonstrated, but considerable differences between the weighting of leading configurations occurs between singlet and triplet manifolds. The non-diagonal TDA method has been used to reconsider the UV-photoelectron spectrum. The ionisation potentials for tetrazine are reinterpreted with the first three bands being regrouped into 1, 2, 2 ionisations respectively. The ground state properties of tetrazine suggest that the NQR spectrum will show a principal axis 14N quadrupole coupling constant

  16. Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

    CERN Document Server

    Mai, Sebastian; Plasser, Felix; Marquetand, Philipp; Lischka, Hans; González, Leticia

    2016-01-01

    An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbit coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing c...

  17. (Re)configuration based on model generation

    CERN Document Server

    Friedrich, Gerhard; Falkner, Andreas A; Haselböck, Alois; Schenner, Gottfried; Schreiner, Herwig; 10.4204/EPTCS.65.3

    2011-01-01

    Reconfiguration is an important activity for companies selling configurable products or services which have a long life time. However, identification of a set of required changes in a legacy configuration is a hard problem, since even small changes in the requirements might imply significant modifications. In this paper we show a solution based on answer set programming, which is a logic-based knowledge representation formalism well suited for a compact description of (re)configuration problems. Its applicability is demonstrated on simple abstractions of several real-world scenarios. The evaluation of our solution on a set of benchmark instances derived from commercial (re)configuration problems shows its practical applicability.

  18. Transition state theory thermal rate constants and RRKM-based branching ratios for the N((2)D) + CH(4) reaction based on multi-state and multi-reference ab initio calculations of interest for the Titan's chemistry.

    Science.gov (United States)

    Ouk, Chanda-Malis; Zvereva-Loëte, Natalia; Scribano, Yohann; Bussery-Honvault, Béatrice

    2012-10-30

    Multireference single and double configuration interaction (MRCI) calculations including Davidson (+Q) or Pople (+P) corrections have been conducted in this work for the reactants, products, and extrema of the doublet ground state potential energy surface involved in the N((2)D) + CH(4) reaction. Such highly correlated ab initio calculations are then compared with previous PMP4, CCSD(T), W1, and DFT/B3LYP studies. Large relative differences are observed in particular for the transition state in the entrance channel resolving the disagreement between previous ab initio calculations. We confirm the existence of a small but positive potential barrier (3.86 ± 0.84 kJ mol(-1) (MR-AQCC) and 3.89 kJ mol(-1) (MRCI+P)) in the entrance channel of the title reaction. The correlation is seen to change significantly the energetic position of the two minima and five saddle points of this system together with the dissociation channels but not their relative order. The influence of the electronic correlation into the energetic of the system is clearly demonstrated by the thermal rate constant evaluation and it temperature dependance by means of the transition state theory. Indeed, only MRCI values are able to reproduce the experimental rate constant of the title reaction and its behavior with temperature. Similarly, product branching ratios, evaluated by means of unimolecular RRKM theory, confirm the NH production of Umemoto et al., whereas previous works based on less accurate ab initio calculations failed. We confirm the previous findings that the N((2)D) + CH(4) reaction proceeds via an insertion-dissociation mechanism and that the dominant product channels are CH(2)NH + H and CH(3) + NH.

  19. Relativistic Multireference Many-body Perturbation Theory for Open-shell Ions with Multiple Valence Shell Electrons: the Transition Rates and Lifetimes of the Excited Levels in Chlorinelike Fe X

    Energy Technology Data Exchange (ETDEWEB)

    Ishikawa, Y; Santana, J A; Trabert, E

    2009-09-30

    A recently developed relatistic multireference many-body perturbation theory based on multireference configuration-interaction wavefunctions as zeroth order wavefunctions is outlined. The perturbation theory employs a general class of configuration-interaction wve functions as reference functions, and thus is applciable to multiple open valence shell systems with near degeneracy of a manifold of strongly interacting configurations. Multireference many-body perturbation calculations are reported for the ground and excited states of chlorine-like Fe X in which the near degeneracy of a manifold of strongly interacting configurations mandates a multireference treatment. Term energies of a total of 83 excited levels arising from the 3s{sup 2}3p{sup 5}, 3s3p{sup 6}, 3s{sup 2}3p{sup 4}3d, 3s3p{sup 5}3d, and 3s{sup 2}3p{sup 3}3d{sup 2} configurations of the ion are evaluated to high accuracy. Transition rates associated with E1/M1/E2/M2/E3 radiative decays and lifetimes of a number of excited levels are calculated and compared with laboratory measurements to critically evaluate recent experiments.

  20. Knowledge Based Product Configuration - a documentatio tool for configuration projects

    DEFF Research Database (Denmark)

    Hvam, Lars; Malis, Martin

    2003-01-01

    How can complex product models be documented in a formalised way that consider both development and maintenance? The need for an effective documentation tool has emerged in order to document the development of product models. The product models have become more and more complex and comprehensive....... with the development of a Lotus Notes application that serves as a knowledge based documentation tool for configuration projects. A prototype has been developed and tested empirically in an industrial case-company. It has proved to be a succes.......How can complex product models be documented in a formalised way that consider both development and maintenance? The need for an effective documentation tool has emerged in order to document the development of product models. The product models have become more and more complex and comprehensive...

  1. Stochastic multireference Epstein-Nesbet perturbation theory

    CERN Document Server

    Sharma, Sandeep; Jeanmairet, Guillaume; Alavi, Ali; Umrigar, C J

    2016-01-01

    We extend the recently proposed heat-bath configuration interaction (HCI) method [Holmes, Tubman, Umrigar, J. Chem. Theory Comput. 12, 3674 (2016)], by introducing a stochastic algorithm for performing multireference Epstein-Nesbet perturbation theory, in order to completely eliminate the severe memory bottleneck of the original method. The proposed stochastic algorithm has several attractive features. First, there is no sign problem that plagues several quantum Monte Carlo methods. Second, instead of using Metropolis-Hastings sampling, we use the Alias method to directly sample determinants from the reference wavefunction, thus avoiding correlations between consecutive samples. Third, in addition to removing the memory bottleneck, stochastic-HCI (s-HCI) is faster than the deterministic variant for most systems if a stochastic error of 0.1 mHa is acceptable. Fourth, within the s-HCI algorithm one can trade memory for a modest increase in computer time. Fifth, the perturbative calculation is embarrassingly par...

  2. Intellectual Model-Based Configuration Management Conception

    Directory of Open Access Journals (Sweden)

    Bartusevics Arturs

    2014-07-01

    Full Text Available Software configuration management is one of the most important disciplines within the software development project, which helps control the software evolution process and allows including into the end project only tested and validated changes. To achieve this, software management completes certain tasks. Concrete tools are used for technical implementation of tasks, such as version control systems, servers of continuous integration, compilers, etc. A correct configuration management process usually requires several tools, which mutually exchange information by generating various kinds of transfers. When it comes to introducing the configuration management process, often there are situations when tool installation is started, yet at that given moment there is no general picture of the total process. The article offers a model-based configuration management concept, which foresees the development of an abstract model for the configuration management process that later is transformed to lower abstraction level models and tools are indicated to support the technical process. A solution of this kind allows a more rational introduction and configuration of tools

  3. Evolutionary algorithm based configuration interaction approach

    CERN Document Server

    Chakraborty, Rahul

    2016-01-01

    A stochastic configuration interaction method based on evolutionary algorithm is designed as an affordable approximation to full configuration interaction (FCI). The algorithm comprises of initiation, propagation and termination steps, where the propagation step is performed with cloning, mutation and cross-over, taking inspiration from genetic algorithm. We have tested its accuracy in 1D Hubbard problem and a molecular system (symmetric bond breaking of water molecule). We have tested two different fitness functions based on energy of the determinants and the CI coefficients of determinants. We find that the absolute value of CI coefficients is a more suitable fitness function when combined with a fixed selection scheme.

  4. Accurate multireference study of Si3 electronic manifold

    CERN Document Server

    Goncalves, Cayo Emilio Monteiro; Braga, Joao Pedro

    2016-01-01

    Since it has been shown that the silicon trimer has a highly multi-reference character, accurate multi-reference configuration interaction calculations are performed to elucidate its electronic manifold. Emphasis is given to the long range part of the potential, aiming to understand the atom-diatom collisions dynamical aspects, to describe conical intersections and important saddle points along the reactive path. Potential energy surface main features analysis are performed for benchmarking, and highly accurate values for structures, vibrational constants and energy gaps are reported, as well as the unpublished spin-orbit coupling magnitude. The results predict that inter-system crossings will play an important role in dynamical simulations, specially in triplet state quenching, making the problem of constructing a precise potential energy surface more complicated and multi-layer dependent. The ground state is predicted to be the singlet one, but since the singlet-triplet gap is rather small (2.448 kJ/mol) bo...

  5. SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory

    Science.gov (United States)

    Guo, Yang; Sivalingam, Kantharuban; Valeev, Edward F.; Neese, Frank

    2016-03-01

    Multi-reference (MR) electronic structure methods, such as MR configuration interaction or MR perturbation theory, can provide reliable energies and properties for many molecular phenomena like bond breaking, excited states, transition states or magnetic properties of transition metal complexes and clusters. However, owing to their inherent complexity, most MR methods are still too computationally expensive for large systems. Therefore the development of more computationally attractive MR approaches is necessary to enable routine application for large-scale chemical systems. Among the state-of-the-art MR methods, second-order N-electron valence state perturbation theory (NEVPT2) is an efficient, size-consistent, and intruder-state-free method. However, there are still two important bottlenecks in practical applications of NEVPT2 to large systems: (a) the high computational cost of NEVPT2 for large molecules, even with moderate active spaces and (b) the prohibitive cost for treating large active spaces. In this work, we address problem (a) by developing a linear scaling "partially contracted" NEVPT2 method. This development uses the idea of domain-based local pair natural orbitals (DLPNOs) to form a highly efficient algorithm. As shown previously in the framework of single-reference methods, the DLPNO concept leads to an enormous reduction in computational effort while at the same time providing high accuracy (approaching 99.9% of the correlation energy), robustness, and black-box character. In the DLPNO approach, the virtual space is spanned by pair natural orbitals that are expanded in terms of projected atomic orbitals in large orbital domains, while the inactive space is spanned by localized orbitals. The active orbitals are left untouched. Our implementation features a highly efficient "electron pair prescreening" that skips the negligible inactive pairs. The surviving pairs are treated using the partially contracted NEVPT2 formalism. A detailed comparison

  6. XVCL: XML-based Variant Configuration Language

    DEFF Research Database (Denmark)

    Jarzabek, Stan; Basset, Paul; Zhang, Hongyu;

    2003-01-01

    XVCL (XML-based Variant Configuration Language) is a meta-programming technique and tool that provides effective reuse mechanisms. XVCL is an open source software developed at the National University of Singapore. Being a modern and versatile version of Bassett's frames, a technology that has...... achieved substantial gains in industry, the underlying principles of the XVCL have been thoroughly tested in practice. We envision many other applications in software and non-software domains, as we can apply XVCL to any domain that can be represented as a collection of textual documents....

  7. Perturbational treatment of spin-orbit coupling for generally applicable high-level multi-reference methods

    Energy Technology Data Exchange (ETDEWEB)

    Mai, Sebastian; Marquetand, Philipp; González, Leticia [Institute of Theoretical Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna (Austria); Müller, Thomas, E-mail: th.mueller@fz-juelich.de [Institute for Advanced Simulation, Jülich Supercomputing Centre, Forschungszentrum Jülich, 52425 Jülich (Germany); Plasser, Felix [Interdisciplinary Center for Scientific Computing, University of Heidelberg, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany); Lischka, Hans [Institute of Theoretical Chemistry, University of Vienna, Währinger Str. 17, 1090 Vienna (Austria); Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061 (United States)

    2014-08-21

    An efficient perturbational treatment of spin-orbit coupling within the framework of high-level multi-reference techniques has been implemented in the most recent version of the COLUMBUS quantum chemistry package, extending the existing fully variational two-component (2c) multi-reference configuration interaction singles and doubles (MRCISD) method. The proposed scheme follows related implementations of quasi-degenerate perturbation theory (QDPT) model space techniques. Our model space is built either from uncontracted, large-scale scalar relativistic MRCISD wavefunctions or based on the scalar-relativistic solutions of the linear-response-theory-based multi-configurational averaged quadratic coupled cluster method (LRT-MRAQCC). The latter approach allows for a consistent, approximatively size-consistent and size-extensive treatment of spin-orbit coupling. The approach is described in detail and compared to a number of related techniques. The inherent accuracy of the QDPT approach is validated by comparing cuts of the potential energy surfaces of acrolein and its S, Se, and Te analoga with the corresponding data obtained from matching fully variational spin-orbit MRCISD calculations. The conceptual availability of approximate analytic gradients with respect to geometrical displacements is an attractive feature of the 2c-QDPT-MRCISD and 2c-QDPT-LRT-MRAQCC methods for structure optimization and ab inito molecular dynamics simulations.

  8. New parameterization of Skyrme's interaction for regularized multi-reference energy density functional calculations

    CERN Document Server

    Washiyama, K; Avez, B; Bender, M; Heenen, P -H; Hellemans, V

    2012-01-01

    [Background] Symmetry restoration and configuration mixing in the spirit of the generator coordinate method based on energy density functionals have become widely used techniques in low-energy nuclear structure physics. Recently, it has been pointed out that these techniques are ill-defined for standard Skyrme functionals, and a regularization procedure has been proposed to remove the resulting spuriosities from such calculations. This procedure imposes an integer power of the density for the density dependent terms of the functional. At present, only dated parameterizations of the Skyrme interaction fulfill this condition. [Purpose] To construct a set of parameterizations of the Skyrme energy density functional for multi-reference energy density functional calculations with regularization using the state-of-the-art fitting protocols. [Method] The parameterizations were adjusted to reproduce ground state properties of a selected set of doubly magic nuclei and properties of nuclear matter. Subsequently, these ...

  9. Large-scale parallel configuration interaction. I. Nonrelativisticand scalar-relativistic general active space implementationwith application to (Rb-Ba)+

    DEFF Research Database (Denmark)

    Knecht, Stefan; Jensen, Hans Jørgen Aagaard; Fleig, Timo

    2008-01-01

    is based on the message passing interface and a distributed data model in order to efficiently exploit key features of various modern computer architectures. We exemplify the nearly linear scalability of our parallel code in large-scale multireference configuration interaction (MRCI) calculations, and we...

  10. New parametrization of Skyrme's interaction for regularized multireference energy density functional calculations

    Science.gov (United States)

    Washiyama, K.; Bennaceur, K.; Avez, B.; Bender, M.; Heenen, P.-H.; Hellemans, V.

    2012-11-01

    Background: Symmetry restoration and configuration mixing in the spirit of the generator coordinate method based on energy density functionals have become widely used techniques in low-energy nuclear structure physics. Recently, it has been pointed out that these techniques are ill defined for standard Skyrme functionals, and a regularization procedure has been proposed to remove the resulting spuriosities from such calculations. This procedure imposes an integer power of the density for the density-dependent terms of the functional. At present, only dated parametrizations of the Skyrme interaction fulfill this condition.Purpose: To construct a set of parametrizations of the Skyrme energy density functional for multireference energy density functional calculations with regularization using the state-of-the-art fitting protocols.Method: The parametrizations were adjusted to reproduce ground-state properties of a selected set of doubly magic nuclei and properties of nuclear matter. Subsequently, these parameter sets were validated against properties of spherical and deformed nuclei.Results: Our parameter sets successfully reproduce the experimental binding energies and charge radii for a wide range of singly magic nuclei. Compared to the widely used SLy5 and to the SIII parametrization that has integer powers of the density, a significant improvement of the reproduction of the data is observed. Similarly, a good description of the deformation properties at A˜80 was obtained.Conclusions: We have constructed new Skyrme parametrizations with integer powers of the density and validated them against a broad set of experimental data for spherical and deformed nuclei. These parametrizations are tailor-made for regularized multireference energy density functional calculations and can be used to study correlations beyond the mean field in atomic nuclei.

  11. Cost-Effective Treatment of Scalar Relativistic Effects for Multireference Systems: A CASSCF Implementation Based on the Spin-free Dirac-Coulomb Hamiltonian.

    Science.gov (United States)

    Lipparini, Filippo; Gauss, Jürgen

    2016-09-13

    We present an implementation of the complete active space-self-consistent field (CASSCF) method specifically designed to be used in four-component scalar relativistic calculations based on the spin-free Dirac-Coulomb (SFDC) Hamiltonian. Our implementation takes full advantage of the properties of the SFDC Hamiltonian that allow us to use real algebra and to exploit point-group and spin symmetry to their full extent while including in a rigorous way scalar relativistic effects in the treatment. The SFDC-CASSCF treatment is more expensive than its non-relativistic counterpart only in the orbital optimization step, while exhibiting the same computational cost for the rate-determining full configuration interaction part. The numerical aspects are discussed, and the capabilities of the SFDC-CASSCF methodology are demonstrated through a pilot application.

  12. Multireference linearized Coupled Cluster theory for strongly correlated systems using Matrix Product States

    CERN Document Server

    Sharma, Sandeep

    2015-01-01

    We propose a multireference linearized coupled cluster theory using matrix product states (MPS-LCC) which provides remarkably accurate ground-state energies, at a computational cost that has the same scaling as multireference configuration interaction singles and doubles (MRCISD), for a wide variety of electronic Hamiltonians. These range from first-row dimers at equilibrium and stretched geometries, to highly multireference systems such as the chromium dimer and lattice models such as periodic two-dimensional 1-band and 3-band Hubbard models. The MPS-LCC theory shows a speed up of several orders of magnitude over the usual DMRG algorithm while delivering energies in excellent agreement with converged DMRG calculations. Also, in all the benchmark calculations presented here MPS-LCC outperformed the commonly used multi-reference quantum chemistry methods in some cases giving energies in excess of an order of magnitude more accurate. As a size-extensive method that can treat large active spaces, MPS-LCC opens u...

  13. Double Pyramidal Central Configurations with a Concave Quadrilateral Base

    Institute of Scientific and Technical Information of China (English)

    LIUXuefei

    2002-01-01

    As for a doudle pyramidal central configuration in 6-body problems,the case when its bese is a concave polygon is studied.By advancing several assumptions according to the definition of double pyramidal central configuration and deducing two theorems and two corollaries on this subject,the essential and sufficient conditions to form a double pyramidal central configuration with a concave quadriateral base are demonstrated.

  14. Research on Web-Based Product Structure and Configuration Management

    Institute of Scientific and Technical Information of China (English)

    CHENJi-zhong; TIANLing; XUXiao-hui

    2004-01-01

    An enhanced system architecture of Web-based product structure and configuration management system along with its, functions are is presented. The key techniques, such as construction of object models of product structure and product configuration, hybrid approach method in product configuration management, sharing and integration of heterogeneous product data, integration with other sub-systems, are discussed too. A prototype system is developed by J2EE technology.

  15. CASE-BASED PRODUCT CONFIGURATION AND REUSE IN MASS CUSTOMIZATION

    Institute of Scientific and Technical Information of China (English)

    Wang Shiwei; Tan Jianrong; Zhang Shuyou; Wang Xin; He Chenqi

    2004-01-01

    The increasing complexity and size of configuration knowledge bases requires the provision of advanced methods supporting the development of the actual configuration process and design reuse.A new framework to find a feasible and practical product configuration method is presented in mass customization.The basic idea of the approach is to integrate case-based reasoning (CBR) with a constraint satisfaction problem(CSP).The similarity measure between a crisp and range is also given,which is common in case retrieves.Based on the configuration model,a product platform and customer needs,case adaptation is carried out with the repair-based algorithm.Lastly,the methodology in the elevator configuration design domain is tested.

  16. Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods

    Energy Technology Data Exchange (ETDEWEB)

    Brabec, Jiri; Banik, Subrata; Kowalski, Karol; Pittner, Jiří

    2016-10-28

    The implementation details of the universal state-selective (USS) multi-reference coupled cluster (MRCC) formalism with singles and doubles (USS(2)) are discussed on the example of several benchmark systems. We demonstrate that the USS(2) formalism is capable of improving accuracies of state specific multi-reference coupled-cluster (MRCC) methods based on the Brillouin-Wigner and Mukherjee’s sufficiency conditions. Additionally, it is shown that the USS(2) approach significantly alleviates problems associated with the lack of invariance of MRCC theories upon the rotation of active orbitals. We also discuss the perturbative USS(2) formulations that significantly reduce numerical overhead of the full USS(2) method.

  17. Runtime task mapping based on hardware configuration reuse

    NARCIS (Netherlands)

    Sigdel, K.; Galuzzi, C.; Bertels, K.; Thompson, M.; Pimentel, A.D.; Prasanna, V.; Becker, J.; Cumplido, R.

    2010-01-01

    In this paper, we propose a new heuristic for runtime task mapping of application(s) onto reconfigurable architectures. The heuristic is based on hardware configuration reuse, which tries to avoid the reconfiguration overhead of few selected tasks, by reusing the hardware configurations already avai

  18. The Research of Platform-Based Product Configuration Model

    Science.gov (United States)

    Yan, Huiqiang; Guan, Qunsheng; Li, Qinghai; Lu, Fei; Wang, Xiujuan

    Product configuration system, being a knowledge intensive system, plays an important role in order to realize Mass Customization. The Platform-based generic product configuration tool(PB-GPCT) being developed by Institute of Design for Innovation, Hebei University of Technology. PB-GPCT is a structure-based and domain independent configuration tool. For the realization of PB-GPCT, UML is chosen to construct the configuration model and OCL(Object Constraint Language) to express constraints. In order to manage the constraints of product easily, the approach of checking consistency of configuration model is presented. The theory of constraints hierarchies is introduced into the system of PB-GPCT in order to express customer requirements of different levels.

  19. ABC: Aging-Based IC Configuration

    Science.gov (United States)

    2014-04-01

    is a 32-bit general-purpose processor based on the SPARC V8 architecture. The complete VHDL source code of the LEON3 processor is released under the...processor based on the SPARC V8 architecture. The complete VHDL source code of the LEON3 is released under the GNU Public License for academic use...Universal asynchronous receiver/transmitter v5lx50 A Xilinx Virtex-5 FPGA VHDL VHSIC hardware description language APPROVED FOR PUBLIC RELEASE; DISTRIBUTION UNLIMITED. 41

  20. Nuclear structure calculations in $^{20}$Ne with No-Core Configuration-Interaction model

    CERN Document Server

    Konieczka, Maciej

    2016-01-01

    Negative parity states in $^{20}$Ne and Gamow-Teller strength distribution for the ground-state beta-decay of $^{20}$Na are calculated for the very first time using recently developed No-Core Configuration-Interaction model. The approach is based on multi-reference density functional theory involving isospin and angular-momentum projections. Advantages and shortcomings of the method are briefly discussed.

  1. Optimization Research of Urban Space Configuration Based on Space Syntax

    Institute of Scientific and Technical Information of China (English)

    Zhu Qing; Wang Jingwen

    2005-01-01

    In this paper, a new method based on the space syntax is presented to optimize the urban space configuration. Space syntax theory is used to detect systematically whether one urban space configuration is optimal or not from four aspects including traffic space, cognition space, land use space and culture space. After introducing the computational and cognitive aspects of space syntax for the research of urban space, a framework of urban space optimization based on space syntax is proposed, then the integration with GIS and the extension to third dimension are discussed. Finally, a case study for Kanmen town of Zhejiang province of P.R.China is illustrated by using Axwoman tool.

  2. Tree Tensor Network State with Variable Tensor Order: An Efficient Multireference Method for Strongly Correlated Systems.

    Science.gov (United States)

    Murg, V; Verstraete, F; Schneider, R; Nagy, P R; Legeza, Ö

    2015-03-10

    We study the tree-tensor-network-state (TTNS) method with variable tensor orders for quantum chemistry. TTNS is a variational method to efficiently approximate complete active space (CAS) configuration interaction (CI) wave functions in a tensor product form. TTNS can be considered as a higher order generalization of the matrix product state (MPS) method. The MPS wave function is formulated as products of matrices in a multiparticle basis spanning a truncated Hilbert space of the original CAS-CI problem. These matrices belong to active orbitals organized in a one-dimensional array, while tensors in TTNS are defined upon a tree-like arrangement of the same orbitals. The tree-structure is advantageous since the distance between two arbitrary orbitals in the tree scales only logarithmically with the number of orbitals N, whereas the scaling is linear in the MPS array. It is found to be beneficial from the computational costs point of view to keep strongly correlated orbitals in close vicinity in both arrangements; therefore, the TTNS ansatz is better suited for multireference problems with numerous highly correlated orbitals. To exploit the advantages of TTNS a novel algorithm is designed to optimize the tree tensor network topology based on quantum information theory and entanglement. The superior performance of the TTNS method is illustrated on the ionic-neutral avoided crossing of LiF. It is also shown that the avoided crossing of LiF can be localized using only ground state properties, namely one-orbital entanglement.

  3. Data base management system configuration specification. [computer storage devices

    Science.gov (United States)

    Neiers, J. W.

    1979-01-01

    The functional requirements and the configuration of the data base management system are described. Techniques and technology which will enable more efficient and timely transfer of useful data from the sensor to the user, extraction of information by the user, and exchange of information among the users are demonstrated.

  4. LHCb: A CMake-based build and configuration framework

    CERN Multimedia

    Clemencic, M; Mato, P

    2011-01-01

    The LHCb experiment has been using the CMT build and configuration tool for its software since the first versions, mainly because of its multi-platform build support and its powerful configuration management functionality. Still, CMT has some limitations in terms of build performance and the increased complexity added to the tool to cope with new use cases added latterly. Therefore, we have been looking for a viable alternative to it and we have investigated the possibility of adopting the CMake tool, which does a very good job for building and is getting very popular in the HEP community. The result of this study is a CMake-based framework which provides most of the special configuration features available natively only in CMT, with the advantages of better performances, flexibility and portability.

  5. Symmetry in Sphere-Based Assembly Configuration Spaces

    Directory of Open Access Journals (Sweden)

    Meera Sitharam

    2016-01-01

    Full Text Available Many remarkably robust, rapid and spontaneous self-assembly phenomena occurring in nature can be modeled geometrically, starting from a collection of rigid bunches of spheres. This paper highlights the role of symmetry in sphere-based assembly processes. Since spheres within bunches could be identical and bunches could be identical, as well, the underlying symmetry groups could be of large order that grows with the number of participating spheres and bunches. Thus, understanding symmetries and associated isomorphism classes of microstates that correspond to various types of macrostates can significantly increase efficiency and accuracy, i.e., reduce the notorious complexity of computing entropy and free energy, as well as paths and kinetics, in high dimensional configuration spaces. In addition, a precise understanding of symmetries is crucial for giving provable guarantees of algorithmic accuracy and efficiency, as well as accuracy vs. efficiency trade-offs in such computations. In particular, this may aid in predicting crucial assembly-driving interactions. This is a primarily expository paper that develops a novel, original framework for dealing with symmetries in configuration spaces of assembling spheres, with the following goals. (1 We give new, formal definitions of various concepts relevant to the sphere-based assembly setting that occur in previous work and, in turn, formal definitions of their relevant symmetry groups leading to the main theorem concerning their symmetries. These previously-developed concepts include, for example: (i assembly configuration spaces; (ii stratification of assembly configuration space into configurational regions defined by active constraint graphs; (iii paths through the configurational regions; and (iv coarse assembly pathways. (2 We then demonstrate the new symmetry concepts to compute the sizes and numbers of orbits in two example settings appearing in previous work. (3 Finally, we give formal

  6. Efficiency of a Multi-Reference Coupled Cluster method

    CERN Document Server

    Giner, Emmanuel; Scemama, Anthony; Malrieu, Jean Paul

    2015-01-01

    The multi-reference Coupled Cluster method first proposed by Meller et al (J. Chem. Phys. 1996) has been implemented and tested. Guess values of the amplitudes of the single and double excitations (the ${\\hat T}$ operator) on the top of the references are extracted from the knowledge of the coefficients of the Multi Reference Singles and Doubles Configuration Interaction (MRSDCI) matrix. The multiple parentage problem is solved by scaling these amplitudes on the interaction between the references and the Singles and Doubles. Then one proceeds to a dressing of the MRSDCI matrix under the effect of the Triples and Quadruples, the coefficients of which are estimated from the action of ${\\hat T}^2$. This dressing follows the logics of the intermediate effective Hamiltonian formalism. The dressed MRSDCI matrix is diagonalized and the process is iterated to convergence. The method is tested on a series of benchmark systems from Complete Active Spaces (CAS) involving 2 or 4 active electrons up to bond breakings. The...

  7. Stochastic multi-configurational self-consistent field theory

    CERN Document Server

    Thomas, Robert E; Alavi, Ali; Booth, George H

    2015-01-01

    The multi-configurational self-consistent field theory is considered the standard starting point for almost all multireference approaches required for strongly-correlated molecular problems. The limitation of the approach is generally given by the number of strongly-correlated orbitals in the molecule, as its cost will grow exponentially with this number. We present a new multi-configurational self-consistent field approach, wherein linear determinant coefficients of a multi-configurational wavefunction are optimized via the stochastic full configuration interaction quantum Monte Carlo technique at greatly reduced computational cost, with non-linear orbital rotation parameters updated variationally based on this sampled wavefunction. This extends this approach to strongly-correlated systems with far larger active spaces than it is possible to treat by conventional means. By comparison with this traditional approach, we demonstrate that the introduction of stochastic noise in both the determinant amplitudes an...

  8. Trends in bond dissociation energies of alcohols and aldehydes computed with multireference averaged coupled-pair functional theory.

    Science.gov (United States)

    Oyeyemi, Victor B; Keith, John A; Carter, Emily A

    2014-05-01

    As part of our ongoing investigation of the combustion chemistry of oxygenated molecules using multireference correlated wave function methods, we report bond dissociation energies (BDEs) in C1-C4 alcohols (from methanol to the four isomers of butanol) and C1-C4 aldehydes (from methanal to butanal). The BDEs are calculated with a multireference averaged coupled-pair functional-based scheme. We compare these multireference BDEs with those derived from experiment and single-reference methods. Trends in BDEs for the alcohols and aldehydes are rationalized by considering geometry relaxations of dissociated radical fragments, resonance stabilization, and hyperconjugation. Lastly, we discuss the conjectured association between bond strengths and rates of hydrogen abstraction by hydroxyl radicals. In general, abstraction reaction rates are higher at sites where the C-H bond energies are lower (and vice versa). However, comparison with available rate data shows this inverse relationship between bond strengths and abstraction rates does not hold at all temperatures.

  9. Dynamic airspace configuration method based on a weighted graph model

    Directory of Open Access Journals (Sweden)

    Chen Yangzhou

    2014-08-01

    Full Text Available This paper proposes a new method for dynamic airspace configuration based on a weighted graph model. The method begins with the construction of an undirected graph for the given airspace, where the vertices represent those key points such as airports, waypoints, and the edges represent those air routes. Those vertices are used as the sites of Voronoi diagram, which divides the airspace into units called as cells. Then, aircraft counts of both each cell and of each air-route are computed. Thus, by assigning both the vertices and the edges with those aircraft counts, a weighted graph model comes into being. Accordingly the airspace configuration problem is described as a weighted graph partitioning problem. Then, the problem is solved by a graph partitioning algorithm, which is a mixture of general weighted graph cuts algorithm, an optimal dynamic load balancing algorithm and a heuristic algorithm. After the cuts algorithm partitions the model into sub-graphs, the load balancing algorithm together with the heuristic algorithm transfers aircraft counts to balance workload among sub-graphs. Lastly, airspace configuration is completed by determining the sector boundaries. The simulation result shows that the designed sectors satisfy not only workload balancing condition, but also the constraints such as convexity, connectivity, as well as minimum distance constraint.

  10. Dynamic airspace configuration method based on a weighted graph model

    Institute of Scientific and Technical Information of China (English)

    Chen Yangzhou; Zhang Defu

    2014-01-01

    This paper proposes a new method for dynamic airspace configuration based on a weighted graph model. The method begins with the construction of an undirected graph for the given airspace, where the vertices represent those key points such as airports, waypoints, and the edges represent those air routes. Those vertices are used as the sites of Voronoi diagram, which divides the airspace into units called as cells. Then, aircraft counts of both each cell and of each air-route are computed. Thus, by assigning both the vertices and the edges with those aircraft counts, a weighted graph model comes into being. Accordingly the airspace configuration problem is described as a weighted graph partitioning problem. Then, the problem is solved by a graph par-titioning algorithm, which is a mixture of general weighted graph cuts algorithm, an optimal dynamic load balancing algorithm and a heuristic algorithm. After the cuts algorithm partitions the model into sub-graphs, the load balancing algorithm together with the heuristic algorithm trans-fers aircraft counts to balance workload among sub-graphs. Lastly, airspace configuration is com-pleted by determining the sector boundaries. The simulation result shows that the designed sectors satisfy not only workload balancing condition, but also the constraints such as convexity, connec-tivity, as well as minimum distance constraint.

  11. Configurable Embedded CPG-based Control for Robot Locomotion

    Directory of Open Access Journals (Sweden)

    Jose Hugo Barron-Zambrano

    2012-09-01

    Full Text Available Recently, the development of intelligent robots has benefited from a deeper understanding of the biomechanics and neurology of biological systems. Researchers have proposed the concept of Central Pattern Generators (CPGs as a mechanism for generating an efficient control strategy for legged robots based on biological locomotion principles. Although many studies have aimed to develop robust legged locomotion controllers, relatively few of them have focused on adopting the technology for fully practical embedded hardware implementations. In this contribution, a reconfigurable hardware implementation of a CPG‐based controller which is able to generate several gaits for quadruped and hexapod robots is presented. The proposed implementation is modular and configurable in order to scale up to legged robots with different degrees of freedom. Experimental results for embedded Field Programmable Gate Array (FPGA implementations for quadruped and hexapod robot controllers are presented and analysed.

  12. Entanglement Measures for Single- and Multi-Reference Correlation Effects

    CERN Document Server

    Boguslawski, Katharina; Legeza, Örs; Reiher, Markus

    2012-01-01

    Electron correlation effects are essential for an accurate ab initio description of molecules. A quantitative a priori knowledge of the single- or multi-reference nature of electronic structures as well as of the dominant contributions to the correlation energy can facilitate the decision regarding the optimum quantum chemical method of choice. We propose concepts from quantum information theory as orbital entanglement measures that allow us to evaluate the single- and multi-reference character of any molecular structure in a given orbital basis set. By studying these measures we can detect possible artifacts of small active spaces.

  13. Investigation on Supply Chain Management Based on ComponentConfiguration

    Institute of Scientific and Technical Information of China (English)

    张洁; 陈淮莉; 马登哲

    2004-01-01

    From supply-push mode to demand-pull mode, SCM systems will face four main points: (1) real time visibility that covers the whole supply chain, (2) agility for choice of supply and source, (3) response to diverse customer demands and short delivery deadlines, and (4) rapid occurrence of new products following the market trends and new designs. Component-based SCM has become a hot spot in research areas. A multi-layer framework is set up, including a database server layer, an application server layer, a kernel component layer and a user interface layer. Some function components are designed, which are optimal planning arithmetic components, controller components and evaluation indexes components, in order to suit both discrete and continuous manufacturing. This paper studies a three-dimensional SCM configuration method based on the types of enterprise, manufacturing and products, provides powerful tools for SCM system implementations, and adopts an object-oriented technology to construct component-based distributed information system to assure right time, right materials, right place, right quantity and right customers.

  14. Existence and uniqueness for a class of double pyramidal central configurations with a concave pentagonal base

    Institute of Scientific and Technical Information of China (English)

    2003-01-01

    Based on some necessary conditions for double pyramidal central configurations with a concave pentagonal base, for any given ratio of masses, the existence and uniqueness of a class of double pyramidal central configurations with a concave pentagonal base in 7-body problems are proved and the range of the ratio between radius and half-height is obtained, within which the 7 bodies involved form a central configuration or form uniquely a central configuration.

  15. CMS Configuration Editor: GUI based application for user analysis job

    Science.gov (United States)

    de Cosa, A.

    2011-12-01

    We present the user interface and the software architecture of the Configuration Editor for the CMS experiment. The analysis workflow is organized in a modular way integrated within the CMS framework that organizes in a flexible way user analysis code. The Python scripting language is adopted to define the job configuration that drives the analysis workflow. It could be a challenging task for users, especially for newcomers, to develop analysis jobs managing the configuration of many required modules. For this reason a graphical tool has been conceived in order to edit and inspect configuration files. A set of common analysis tools defined in the CMS Physics Analysis Toolkit (PAT) can be steered and configured using the Config Editor. A user-defined analysis workflow can be produced starting from a standard configuration file, applying and configuring PAT tools according to the specific user requirements. CMS users can adopt this tool, the Config Editor, to create their analysis visualizing in real time which are the effects of their actions. They can visualize the structure of their configuration, look at the modules included in the workflow, inspect the dependences existing among the modules and check the data flow. They can visualize at which values parameters are set and change them according to what is required by their analysis task. The integration of common tools in the GUI needed to adopt an object-oriented structure in the Python definition of the PAT tools and the definition of a layer of abstraction from which all PAT tools inherit.

  16. ACES-Based Testbed and Bayesian Game-Theoretic Framework for Dynamic Airspace Configuration Project

    Data.gov (United States)

    National Aeronautics and Space Administration — This SBIR effort is focused on developing a Dynamic Airspace Configuration (DAC) concept where-in ARTCCs can benefit from re-configuring airspaces based on Traffic...

  17. A spin-adapted size-extensive state-specific multi-reference perturbation theory. I. Formal developments

    Science.gov (United States)

    Mao, Shuneng; Cheng, Lan; Liu, Wenjian; Mukherjee, Debashis

    2012-01-01

    We present in this paper a comprehensive formulation of a spin-adapted size-extensive state-specific multi-reference second-order perturbation theory (SA-SSMRPT2) as a tool for applications to molecular states of arbitrary complexity and generality. The perturbative theory emerges in the development as a result of a physically appealing quasi-linearization of a rigorously size-extensive state-specific multi-reference coupled cluster (SSMRCC) formalism [U. S. Mahapatra, B. Datta, and D. Mukherjee, J. Chem. Phys. 110, 6171 (1999), 10.1063/1.478523]. The formulation is intruder-free as long as the state-energy is energetically well-separated from the virtual functions. SA-SSMRPT2 works with a complete active space (CAS), and treats each of the model space functions on the same footing. This thus has the twin advantages of being capable of handling varying degrees of quasi-degeneracy and of ensuring size-extensivity. This strategy is attractive in terms of the applicability to bigger systems. A very desirable property of the parent SSMRCC theory is the explicit maintenance of size-extensivity under a variety of approximations of the working equations. We show how to generate both the Rayleigh-Schrödinger (RS) and the Brillouin-Wigner (BW) versions of SA-SSMRPT2. Unlike the traditional naive formulations, both the RS and the BW variants are manifestly size-extensive and both share the avoidance of intruders in the same manner as the parent SSMRCC. We discuss the various features of the RS as well as the BW version using several partitioning strategies of the hamiltonian. Unlike the other CAS based MRPTs, the SA-SSMRPT2 is intrinsically flexible in the sense that it is constructed in a manner that it can relax the coefficients of the reference function, or keep the coefficients frozen if we so desire. We delineate the issues pertaining to the spin-adaptation of the working equations of the SA-SSMRPT2, starting from SSMRCC, which would allow us to incorporate essentially

  18. Real or artifactual symmetry breaking in the BNB radical: A multireference coupled cluster viewpoint

    Science.gov (United States)

    Li, Xiangzhu; Paldus, Josef

    2007-06-01

    The ground state of the linear BNB radical has been examined via the recently developed reduced multireference coupled cluster method with singles and doubles that is perturbatively corrected for triples [RMR CCSD(T)] using the correlation consistent basis sets (cc-pVXZ, X =D, T, and Q). Similar to earlier results that were based on the single reference CCSD(T) and BD(T) approaches, the RMR CCSD(T) method also predicts an asymmetric structure with two BN bonds of unequal length, even though the MR effects significantly reduce the barrier height. The computed frequencies for the symmetric and antisymmetric stretching modes agree reasonably well with the experimental data.

  19. Relativistic multireference many-body perturbation theory calculations on Au64+ - Au69+ ions

    Energy Technology Data Exchange (ETDEWEB)

    Vilkas, M J; Ishikawa, Y; Trabert, E

    2006-03-31

    Many-body perturbation theory (MBPT) calculations are an adequate tool for the description of the structure of highly charged multi-electron ions and for the analysis of their spectra. They demonstrate this by way of a re-investigation of n=3, {Delta}n=0 transitions in the EUV spectra of Na-, Mg-, Al-like, and Si-like ions of Au that have been obtained previously by heavy-ion accelerator based beam-foil spectroscopy. They discuss the evidence and propose several revisions on the basis of the multi-reference many-body perturbation theory calculations of Ne- through P-like ions of Au.

  20. Novel multireceiver communication systems configurations based on optimal estimation theory

    Science.gov (United States)

    Kumar, Rajendra

    1992-01-01

    A novel multireceiver configuration for carrier arraying and/or signal arraying is presented. The proposed configuration is obtained by formulating the carrier and/or signal arraying problem as an optimal estimation problem, and it consists of two stages. The first stage optimally estimates various phase processes received at different receivers with coupled phase-locked loops wherein the individual loops acquire and track their respective receivers' phase processes but are aided by each other in an optimal manner via LF error signals. The proposed configuration results in the minimization of the the effective radio loss at the combiner output, and thus maximization of energy per bit to noise power spectral density ratio is achieved. A novel adaptive algorithm for the estimator of the signal model parameters when these are not known a priori is also presented.

  1. Combining internally contracted states and matrix product states to perform multireference perturbation theory

    CERN Document Server

    Sharma, Sandeep; Guo, Sheng; Alavi, Ali

    2016-01-01

    We present two efficient and intruder-free methods for treating dynamic correlation on top of general multi-configuration reference wave functions---including such as obtained by the density matrix renormalization group (DMRG) with large active spaces. The new methods are the second order variant of the recently proposed multi-reference linearized coupled cluster method (MRLCC) [S. Sharma, A. Alavi, J. Chem. Phys. 143, 102815 (2015)], and of N-electron valence perturbation theory (NEVPT2), with expected accuracies similar to MRCI+Q and (at least) CASPT2, respectively. Great efficiency gains are realized by representing the first-order wave function with a combination of internal contraction (IC) and matrix product state perturbation theory (MPSPT). With this combination, only third order reduced density matrices (RDMs) are required. Thus, we obviate the need for calculating (or estimating) RDMs of fourth or higher order; these had so far posed a severe bottleneck for dynamic correlation treatments involving t...

  2. Collaborative Product Configuration Model in Networked Manufacturing Based on Semantic Web%投稿须知

    Institute of Scientific and Technical Information of China (English)

    2012-01-01

    Aim at the requirements of collaborative product configuration design in networked manufacturing, a collaborative product configuration model based on semantic web was exploredA semantic web-based structure of the collaborative product configuration model was proposedAnd a product configuration design workflow model was constructedThe collaborative product configuration ontology was constructed by definition of semantic-based metadata of collaborative product configuration information. The ontology was used for semantic annotation of information that dispersed in the network.So the product configuration information can shared between collaborative enterprises in networked manufacturing.And the efficiency of distribute information exchange and the collaborative product development level can be improved,The validity of the model was verified by applying the model into a networked collaborative design platform.

  3. A modified multi-reference second order perturbation theory

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    A new scheme with extended model space is proposed to improve the calculation of multi-reference second order perturbation theory (MRPT2). The new scheme preserves the concise code structure of the original program, and avoids intruder states in constructions of the potential energy surface, which is confirmed by a series of comparable calculations. The new MRPT2 program is an available tool for the research of molecular excited states and electronic spectrum.

  4. An integral-factorized implementation of the driven similarity renormalization group second-order multireference perturbation theory.

    Science.gov (United States)

    Hannon, Kevin P; Li, Chenyang; Evangelista, Francesco A

    2016-05-28

    We report an efficient implementation of a second-order multireference perturbation theory based on the driven similarity renormalization group (DSRG-MRPT2) [C. Li and F. A. Evangelista, J. Chem. Theory Comput. 11, 2097 (2015)]. Our implementation employs factorized two-electron integrals to avoid storage of large four-index intermediates. It also exploits the block structure of the reference density matrices to reduce the computational cost to that of second-order Møller-Plesset perturbation theory. Our new DSRG-MRPT2 implementation is benchmarked on ten naphthyne isomers using basis sets up to quintuple-ζ quality. We find that the singlet-triplet splittings (ΔST) of the naphthyne isomers strongly depend on the equilibrium structures. For a consistent set of geometries, the ΔST values predicted by the DSRG-MRPT2 are in good agreements with those computed by the reduced multireference coupled cluster theory with singles, doubles, and perturbative triples.

  5. TECHNOLOGY AND APPLICATION OF PRODUCT EVOLUTIONARY DESIGN BASED ON CONFIGURATION IN MASS CUSTOMIZATION MODE

    Institute of Scientific and Technical Information of China (English)

    FENG Yixiong; CHENG Jin; TAN Jianrong; ZHENG Bing; WEI Zhe

    2007-01-01

    Product customization has been recognized as an effective means to implement mass customization (MC). A new theory and method for MC-oriented evolutionary design of configuration product is presented based on the study of developing law of evolutionary design in integrated environment, which focuses on the innovation and reuse properties of configuration product. The key technologies for general requirement modeling in quick response to customer requirement, multi-level stepwise configuration optimization driven by customer requirement and evolutionary deduction of product variable structure based on configuration association are thoroughly investigated. The successful application of the presented method in the development of real-life products demonstrates its utility, flexibility and robusticity.

  6. On the usage of knowledge based techniques in configuring computer systems: a case study

    OpenAIRE

    Andersson, Jerker; Andersson, Per

    1989-01-01

    The aim of the thesis has been to define the domains of control structure specification and process station configuration in order to find a general approach applicable to problems concerning the configuration of a process control system or any similar system. These findings are then used as the foundation for constructing a knowledge based system capable of realizing a problem solving method pertaining to the domain of configuring a specific computer system.

  7. An ontology-based semantic configuration approach to constructing Data as a Service for enterprises

    Science.gov (United States)

    Cai, Hongming; Xie, Cheng; Jiang, Lihong; Fang, Lu; Huang, Chenxi

    2016-03-01

    To align business strategies with IT systems, enterprises should rapidly implement new applications based on existing information with complex associations to adapt to the continually changing external business environment. Thus, Data as a Service (DaaS) has become an enabling technology for enterprise through information integration and the configuration of existing distributed enterprise systems and heterogonous data sources. However, business modelling, system configuration and model alignment face challenges at the design and execution stages. To provide a comprehensive solution to facilitate data-centric application design in a highly complex and large-scale situation, a configurable ontology-based service integrated platform (COSIP) is proposed to support business modelling, system configuration and execution management. First, a meta-resource model is constructed and used to describe and encapsulate information resources by way of multi-view business modelling. Then, based on ontologies, three semantic configuration patterns, namely composite resource configuration, business scene configuration and runtime environment configuration, are designed to systematically connect business goals with executable applications. Finally, a software architecture based on model-view-controller (MVC) is provided and used to assemble components for software implementation. The result of the case study demonstrates that the proposed approach provides a flexible method of implementing data-centric applications.

  8. A sparse matrix based full-configuration interaction algorithm.

    Science.gov (United States)

    Rolik, Zoltán; Szabados, Agnes; Surján, Péter R

    2008-04-14

    We present an algorithm related to the full-configuration interaction (FCI) method that makes complete use of the sparse nature of the coefficient vector representing the many-electron wave function in a determinantal basis. Main achievements of the presented sparse FCI (SFCI) algorithm are (i) development of an iteration procedure that avoids the storage of FCI size vectors; (ii) development of an efficient algorithm to evaluate the effect of the Hamiltonian when both the initial and the product vectors are sparse. As a result of point (i) large disk operations can be skipped which otherwise may be a bottleneck of the procedure. At point (ii) we progress by adopting the implementation of the linear transformation by Olsen et al. [J. Chem Phys. 89, 2185 (1988)] for the sparse case, getting the algorithm applicable to larger systems and faster at the same time. The error of a SFCI calculation depends only on the dropout thresholds for the sparse vectors, and can be tuned by controlling the amount of system memory passed to the procedure. The algorithm permits to perform FCI calculations on single node workstations for systems previously accessible only by supercomputers.

  9. A Component-Based Software Configuration Management Model and Its Supporting System

    Institute of Scientific and Technical Information of China (English)

    梅宏; 张路; 杨芙清

    2002-01-01

    Software configuration management (SCM) is an important key technology in software development. Component-based software development (CBSD) is an emerging paradigm in software development. However, to apply CBSD effectively in real world practice,supporting SCM in CBSD needs to be further investigated. In this paper, the objects that need to be managed in CBSD is analyzed and a component-based SCM model is presented. In this model, components, as the integral logical constituents in a system, are managed as the basic configuration items in SCM, and the relationships between/among components are defined and maintained. Based on this model, a configuration management system is implemented.

  10. A transformed framework for dynamic correlation in multireference problems

    CERN Document Server

    Sokolov, Alexander Yu

    2014-01-01

    We describe how multirefence dynamic correlation theories can be naturally obtained as single-reference correlation theories in a canonically transformed frame. Such canonically transformed correlation theories are very simple and involve identical expressions to their single-reference counterparts. The corresponding excitations involve quasiparticles rather than the bare particles of the system. High-order density matrices (or their approximations) and the numerical metric instabilities common to multireference correlation theories do not appear. As an example, we formulate the Bogoliubov canonically transformed version of second-order M{\\o}ller-Plesset perturbation theory and demonstrate its performance in hydrogen, water, and nitrogen bond dissociation.

  11. Development of configurations for lookup table–based Embryonics using graphic mapping: A case study

    Directory of Open Access Journals (Sweden)

    Qingqi Zhuo

    2015-07-01

    Full Text Available This article presents the development of configurations for bio-inspired self-healing cellular arrays known as Embryonics (embryonic electronics. In the Embryonics design, the configurations are employed to define the functionality and connections of each cell. However, developing configurations of the Embryonics is a time-consuming and challenging work due to lack of effective tools. In this article, an approach is proposed to develop configurations using graphic mapping, which also optimizes the length of configurations for the Embryonics. Using metric embedding, the problem of configurations is exactly formulated to binary quadratic assignment problem and routing problem with constraint of the Embryonics architecture. Since binary quadratic assignment problem is nondeterministic polynomial-time hard, a genetic algorithm is used to tackle this problem for achieving high-quality placement. Due to the limitation of communication bandwidth, how to resolve congestion is also an important issue. An improved ant colony algorithm is presented to realize routing of the Embryonics based on the result of placement. Configurations of the Embryonics are formed according to the result of placement and routing. Experimental result on a 4 × 4 multiplier demonstrates that developing configurations for lookup table–based Embryonics using graphic mapping can lower the difficulty of the Embryonics design and optimize placement and routing of Embryonics.

  12. MS S4.03.002 - Adjoint-Based Design for Configuration Shaping

    Science.gov (United States)

    Nemec, Marian; Aftosmis, Michael J.

    2009-01-01

    This slide presentation discusses a method of inverse design for low sonic boom using adjoint-based gradient computations. It outlines a method for shaping a configuration in order to match a prescribed near-field signature.

  13. Technology Evaluation of Process Configurations for Second Generation Bioethanol Production using Dynamic Model-based Simulations

    DEFF Research Database (Denmark)

    Morales Rodriguez, Ricardo; Meyer, Anne S.; Gernaey, Krist;

    2011-01-01

    An assessment of a number of different process flowsheets for bioethanol production was performed using dynamic model-based simulations. The evaluation employed diverse operational scenarios such as, fed-batch, continuous and continuous with recycle configurations. Each configuration was evaluated...... in continuous mode with a recycle of the SSCF reactor effluent, results in the best productivity of bioethanol among the proposed process configurations, with a yield of 0.18 kg ethanol /kg dry-biomass....... against the following benchmark criteria, yield (kg ethanol/kg dry-biomass), final product concentration and number of unit operations required in the different process configurations. The results has shown the process configuration for simultaneous saccharification and co-fermentation (SSCF) operating...

  14. Effects of Machine Tool Configuration on Its Dynamics Based on Orthogonal Experiment Method

    Institute of Scientific and Technical Information of China (English)

    GAO Xiangsheng; ZHANG Yidu; ZHANG Hongwei; WU Qiong

    2012-01-01

    In order to analyze the influence of configuration parameters on dynamic characteristics of machine tools in the working space,the configuration parameters have been suggested based on the orthogonal experiment method.Dynamic analysis of a milling machine,which is newly designed for producing turbine blades,has been conducted by utilizing the modal synthesis method.The finite element model is verified and updated by experimental modal analysis (EMA) of the machine tool.The result gained by modal synthesis method is compared with whole-model finite element method (FEM) result as well.According to the orthogonal experiment method,four configuration parameters of machine tool are considered as four factors for dynamic characteristics.The influence of configuration parameters on the first three natural frequencies is obtained by range analysis.It is pointed out that configuration parameter is the most important factor affecting the fundamental frequency of machine tools,and configuration parameter has less effect on lower-order modes of the system than others.The combination of configuration parameters which makes the fundamental frequency reach the maximum value is provided.Through demonstration,the conclusion can be drawn that the influence of configuration parameters on the natural frequencies of machine tools can be analyzed explicitly by the orthogonal experiment method,which offers a new method for estimating the dynamic characteristics of machine tools.

  15. Multireference Perturbation Theory with Cholesky Decomposition for the Density Matrix Renormalization Group.

    Science.gov (United States)

    Freitag, Leon; Knecht, Stefan; Angeli, Celestino; Reiher, Markus

    2017-02-14

    We present a second-order N-electron valence state perturbation theory (NEVPT2) based on a density matrix renormalization group (DMRG) reference wave function that exploits a Cholesky decomposition of the two-electron repulsion integrals (CD-DMRG-NEVPT2). With a parameter-free multireference perturbation theory approach at hand, the latter allows us to efficiently describe static and dynamic correlation in large molecular systems. We demonstrate the applicability of CD-DMRG-NEVPT2 for spin-state energetics of spin-crossover complexes involving calculations with more than 1000 atomic basis functions. We first assess, in a study of a heme model, the accuracy of the strongly and partially contracted variant of CD-DMRG-NEVPT2 before embarking on resolving a controversy about the spin ground state of a cobalt tropocoronand complex.

  16. Multi-reference perturbation theory with Cholesky decomposition for the density matrix renormalization group

    CERN Document Server

    Freitag, Leon; Angeli, Celestino; Reiher, Markus

    2016-01-01

    We present a second-order N-electron valence state perturbation theory (NEVPT2) based on a density matrix renormalization group (DMRG) reference wave function that exploits a Cholesky decomposition of the two-electron repulsion integrals (CD-DMRG-NEVPT2). With a parameter-free multireference perturbation theory approach at hand, the latter allows us to efficiently describe static and dynamic correlation in large molecular systems. We demonstrate the applicability of CD-DMRG-NEVPT2 for spin-state energetics of spin-crossover complexes involving calculations with more than 1000 atomic basis functions. We first assess in a study of a heme model the accuracy of the strongly- and partially-contracted variant of CD-DMRG-NEVPT2 before embarking on resolving a controversy about the spin ground state of a cobalt tropocoronand complex.

  17. A multi-agent based intelligent configuration method for aircraft fleet maintenance personnel

    Directory of Open Access Journals (Sweden)

    Feng Qiang

    2014-04-01

    Full Text Available A multi-agent based fleet maintenance personnel configuration method is proposed to solve the mission oriented aircraft fleet maintenance personnel configuration problem. The maintenance process of an aircraft fleet is analyzed first. In the process each aircraft contains multiple parts, and different parts are repaired by personnel with different majors and levels. The factors and their relationship involved in the process of maintenance are analyzed and discussed. Then the whole maintenance process is described as a 3-layer multi-agent system (MAS model. A communication and reasoning strategy among the agents is put forward. A fleet maintenance personnel configuration algorithm is proposed based on contract net protocol (CNP. Finally, a fleet of 10 aircraft is studied for verification purposes. A mission type with 3 waves of continuous dispatch is imaged. Compared with the traditional methods that can just provide configuration results, the proposed method can provide optimal maintenance strategies as well.

  18. Why do TD-DFT excitation energies of BODIPY/Aza-BODIPY families largely deviate from experiment? Answers from electron correlated and multireference methods.

    Science.gov (United States)

    Momeni, Mohammad R; Brown, Alex

    2015-06-09

    The vertical excitation energies of 17 boron-dipyrromethene (BODIPY) core structures with a variety of substituents and ring sizes are benchmarked using time-dependent density functional theory (TD-DFT) with nine different functionals combined with the cc-pVTZ basis set. When compared to experimental measurements, all functionals provide mean absolute errors (mean AEs) greater than 0.3 eV, larger than the 0.1-0.3 eV differences typically expected from TD-DFT. Due to the high linear correlation of TD-DFT results with experiment, most functionals can be used to predict excitation energies if corrected empirically. Using the CAM-B3LYP functional, 0-0 transition energies are determined, and while the absolute difference is improved (mean AE = 0.478 eV compared to 0.579 eV), the correlation diminishes substantially (R(2) = 0.961 to 0.862). Two very recently introduced charge transfer (CT) indices, q(CT) and d(CT), and electron density difference (EDD) plots demonstrate that CT does not play a significant role for most of the BODIPYs examined and, thus, cannot be the source of error in TD-DFT. To assess TD-DFT methods, vertical excitation energies are determined utilizing TD-HF, configuration interaction CIS and CIS(D), equation of motion EOM-CCSD, SAC-CI, and Laplace-transform based local coupled-cluster singles and approximate doubles LCC2* methods. Moreover, multireference CASSCF and CASPT2 vertical excitation energies were also obtained for all species (except CASPT2 was not feasible for the four largest systems). The SAC-CI/cc-pVDZ, LCC2*/cc-pVDZ, and CASPT2/cc-pVDZ approaches are shown to have the smallest mean AEs of 0.154, 0.109, and 0.100 eV, respectively; the utility of the LCC2* approach is demonstrated for eight extended BODIPYs and aza-BODIPYs. We found that the problems with TD-DFT arise from difficulties in dealing with the differential electron correlation (as assessed by comparing CCS, CC2, LR-CCSD, CCSDR(T), and CCSDR(3) vertical excitation energies for

  19. Unconventional supercapacitors from nanocarbon-based electrode materials to device configurations.

    Science.gov (United States)

    Liu, Lili; Niu, Zhiqiang; Chen, Jun

    2016-07-25

    As energy storage devices, supercapacitors that are also called electrochemical capacitors possess high power density, excellent reversibility and long cycle life. The recent boom in electronic devices with different functions in transparent LED displays, stretchable electronic systems and artificial skin has increased the demand for supercapacitors to move towards light, thin, integrated macro- and micro-devices with transparent, flexible, stretchable, compressible and/or wearable abilities. The successful fabrication of such supercapacitors depends mainly on the preparation of innovative electrode materials and the design of unconventional supercapacitor configurations. Tremendous research efforts have been recently made to design and construct innovative nanocarbon-based electrode materials and supercapacitors with unconventional configurations. We review here recent developments in supercapacitors from nanocarbon-based electrode materials to device configurations. The advances in nanocarbon-based electrode materials mainly include the assembly technologies of macroscopic nanostructured electrodes with different dimensions of carbon nanotubes/nanofibers, graphene, mesoporous carbon, activated carbon, and their composites. The electrodes with macroscopic nanostructured carbon-based materials overcome the issues of low conductivity, poor mechanical properties, and limited dimensions that are faced by conventional methods. The configurational design of advanced supercapacitor devices is presented with six types of unconventional supercapacitor devices: flexible, micro-, stretchable, compressible, transparent and fiber supercapacitors. Such supercapacitors display unique configurations and excellent electrochemical performance at different states such as bending, stretching, compressing and/or folding. For example, all-solid-state simplified supercapacitors that are based on nanostructured graphene composite paper are able to maintain 95% of the original capacity at

  20. Improved virtual orbitals in state specific multireference perturbation theory for prototypes of quasidegenerate electronic structure

    Science.gov (United States)

    Sinha Ray, Suvonil; Ghosh, Pradipta; Chaudhuri, Rajat K.; Chattopadhyay, Sudip

    2017-02-01

    The state-specific multireference perturbation theory (SSMRPT) with an improved virtual orbital complete active space configuration interaction (IVO-CASCI) reference function [called as IVO-SSMRPT] is used to investigate the energy surface, geometrical parameters, molecular properties of spectroscopic interest for the systems/situations [such as BeH2, BeCH2, MgCH2, Si2H4, unimolecular dissociation of H2CO, and intramolecular reaction pathways of 1,3-butadiene] where the effect of quasidegeneracy cannot be neglected. The merit of using the IVO-CASCI rather than complete active space self-consistent field (CASSCF) is that it is free from iterations beyond those in the initial SCF calculation and the convergence difficulties that plague CASSCF calculations with increasing size of the CAS. While IVO-CASCI describes the non-dynamical correlation, the SSMRPT scheme is a good second-order perturbative approximation to account for the rest of the correlation energy. Our IVO-SSMRPT method is instrumental in avoiding intruder states in an size-extensive manner and allows the revision of the content of wave function in the model space. It can treat model as well as real systems with predictive accuracy, as is evident from the fairly nice accordance between our estimates, and high-level theoretical results. Our estimates also corroborate well with some experimental findings.

  1. High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds

    Science.gov (United States)

    Kurashige, Yuki; Yanai, Takeshi

    2009-06-01

    This article presents an efficient and parallelized implementation of the density matrix renormalization group (DMRG) algorithm for quantum chemistry calculations. The DMRG method as a large-scale multireference electronic structure model is by nature particularly efficient for one-dimensionally correlated systems, while the present development is oriented toward applications for polynuclear transition metal compounds, in which the macroscopic one-dimensional structure of electron correlation is absent. A straightforward extension of the DMRG algorithm is proposed with further improvements and aggressive optimizations to allow its application with large multireference active space, which is often demanded for metal compound calculations. Special efficiency is achieved by making better use of sparsity and symmetry in the operator and wave function representations. By accomplishing computationally intensive DMRG calculations, the authors have found that a large number of renormalized basis states are required to represent high entanglement of the electron correlation for metal compound applications, and it is crucial to adopt auxiliary perturbative correction to the projected density matrix during the DMRG sweep optimization in order to attain proper convergence to the solution. Potential energy curve calculations for the Cr2 molecule near the known equilibrium precisely predicted the full configuration interaction energies with a correlation space of 24 electrons in 30 orbitals [denoted by (24e,30o)]. The energies are demonstrated to be accurate to 0.6mEh (the error from the extrapolated best value) when as many as 10 000 renormalized basis states are employed for the left and right DMRG block representations. The relative energy curves for [Cu2O2]2+ along the isomerization coordinate were obtained from DMRG and other correlated calculations, for which a fairly large orbital space (32e,62o) is modeled as a full correlation space. The DMRG prediction nearly overlaps

  2. A hybrid configuration interaction treatment based on seniority number and excitation schemes

    Energy Technology Data Exchange (ETDEWEB)

    Alcoba, Diego R.; Capuzzi, Pablo [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and Instituto de Física de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Ciudad Universitaria, 1428 Buenos Aires (Argentina); Torre, Alicia; Lain, Luis, E-mail: qfplapel@lg.ehu.es [Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644 E-48080 Bilbao (Spain); Oña, Ofelia B. [Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de La Plata, CCT La Plata, Consejo Nacional de Investigaciones Científicas y Técnicas, Diag. 113 y 64 (S/N), Sucursal 4, CC 16, 1900 La Plata (Argentina); Van Raemdonck, Mario; Bultinck, Patrick [Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281 (S3), 9000 Gent (Belgium); Van Neck, Dimitri [Center for Molecular Modelling, Ghent University, Technologiepark 903, 9052 Zwijnaarde (Belgium)

    2014-12-28

    We present a configuration interaction method in which the Hamiltonian of an N-electron system is projected on Slater determinants selected according to the seniority-number criterion along with the traditional excitation-based procedure. This proposed method is especially useful to describe systems which exhibit dynamic (weak) correlation at determined geometric arrangements (where the excitation-based procedure is more suitable) but show static (strong) correlation at other arrangements (where the seniority-number technique is preferred). The hybrid method amends the shortcomings of both individual determinant selection procedures, yielding correct shapes of potential energy curves with results closer to those provided by the full configuration interaction method.

  3. Towards easing the configuration and new team member accommodation for open source software based portals

    Science.gov (United States)

    Fu, L.; West, P.; Zednik, S.; Fox, P. A.

    2013-12-01

    For simple portals such as vocabulary based services, which contain small amounts of data and require only hyper-textual representation, it is often an overkill to adopt the whole software stack of database, middleware and front end, or to use a general Web development framework as the starting point of development. Directly combining open source software is a much more favorable approach. However, our experience with the Coastal and Marine Spatial Planning Vocabulary (CMSPV) service portal shows that there are still issues such as system configuration and accommodating a new team member that need to be handled carefully. In this contribution, we share our experience in the context of the CMSPV portal, and focus on the tools and mechanisms we've developed to ease the configuration job and the incorporation process of new project members. We discuss the configuration issues that arise when we don't have complete control over how the software in use is configured and need to follow existing configuration styles that may not be well documented, especially when multiple pieces of such software need to work together as a combined system. As for the CMSPV portal, it is built on two pieces of open source software that are still under rapid development: a Fuseki data server and Epimorphics Linked Data API (ELDA) front end. Both lack mature documentation and tutorials. We developed comparison and labeling tools to ease the problem of system configuration. Another problem that slowed down the project is that project members came and went during the development process, so new members needed to start with a partially configured system and incomplete documentation left by old members. We developed documentation/tutorial maintenance mechanisms based on our comparison and labeling tools to make it easier for the new members to be incorporated into the project. These tools and mechanisms also provided benefit to other projects that reused the software components from the CMSPV

  4. Configuring Web-based Media for Communication in Dispersed Project Groups

    DEFF Research Database (Denmark)

    Scheepers, Rens; Nicolajsen, Hanne Westh

    2006-01-01

    meetings, telephone) are not always viable options. Instead, computer-based communication media such as email, project intranets and extranets become surrogate conduits for day-to-day project communication and exchange of project-related content. We examined the effect of different media configurations...... on the nature of content created by the project groups. We found that configuration decisions, notably the responsibility for content provision and who had access to content, influenced medium choice and the nature of communication taking place via the medium. More substantive content resulted when content...... provision was decentralized and access to content restricted to specific sub-groups. Content providers resorted to superficial use of "openly configured" Web-based media or used email if unsure who could access content, or if they suspected that recipients might lack the background to understand...

  5. Optimization of process configuration and strain selection for microalgae-based biodiesel production.

    Science.gov (United States)

    Yu, Nan; Dieu, Linus Tao Jie; Harvey, Simon; Lee, Dong-Yup

    2015-10-01

    A mathematical model was developed for the design of microalgae-based biodiesel production system by systematically integrating all the production stages and strain properties. Through the hypothetical case study, the model suggested the most economical system configuration for the selected microalgae strains from the available processes at each stage, thus resulting in the cheapest biodiesel production cost, S$2.66/kg, which is still higher than the current diesel price (S$1.05/kg). Interestingly, the microalgae strain properties, such as lipid content, effective diameter and productivity, were found to be one of the major factors that significantly affect the production cost as well as system configuration.

  6. Efficient and configurable transmission protocol based on UDP in grid computing

    Institute of Scientific and Technical Information of China (English)

    Jigang WANG; Guochang GU; Chunguang MA; Weidong ZHONG

    2009-01-01

    At present,mainstream data transfer protocols are not always a good match for the diverse demands of grid computing.Considering this situation,this article proposes an efficient and configurable data transfer protocol (ECUDP) for grid computing.The ECUDP is based on the standard user datagram protocol (UDP),but with a collection of optimizations that meet the challenge of providing configurability and reliability while main-taining performance that meets the communication requirements of demanding applications.Experimental results show that the ECUDP performs efficiently in various grid computing scenarios and the performance analysis model can provide a good estimation of its performance.

  7. Configuration maintaining control of three-body ring tethered system based on thrust compensation

    Science.gov (United States)

    Huang, Panfeng; Liu, Binbin; Zhang, Fan

    2016-06-01

    Space multi-tethered systems have shown broad prospects in remote observation missions. This paper mainly focuses on the dynamics and configuration maintaining control of space spinning three-body ring tethered system for such mission. Firstly, we establish the spinning dynamic model of the three-body ring tethered system considering the elasticity of the tether using Newton-Euler method, and then validate the suitability of this model by numerical simulation. Subsequently, LP (Likins-Pringle) initial equilibrium conditions for the tethered system are derived based on rigid body's equilibrium theory. Simulation results show that tether slack, snapping and interaction between the tethers exist in the three-body ring system, and its' configuration can not be maintained without control. Finally, a control strategy based on thrust compensation, namely thrust to simulate tether compression under LP initial equilibrium conditions is designed to solve the configuration maintaining control problem. Control effects are verified by numerical simulation compared with uncontrolled situation. Simulation results show that the configuration of the three-body ring tethered system could maintain under this active control strategy.

  8. A novel BCI based on ERP components sensitive to configural processing of human faces

    Science.gov (United States)

    Zhang, Yu; Zhao, Qibin; Jing, Jin; Wang, Xingyu; Cichocki, Andrzej

    2012-04-01

    This study introduces a novel brain-computer interface (BCI) based on an oddball paradigm using stimuli of facial images with loss of configural face information (e.g., inversion of face). To the best of our knowledge, till now the configural processing of human faces has not been applied to BCI but widely studied in cognitive neuroscience research. Our experiments confirm that the face-sensitive event-related potential (ERP) components N170 and vertex positive potential (VPP) have reflected early structural encoding of faces and can be modulated by the configural processing of faces. With the proposed novel paradigm, we investigate the effects of ERP components N170, VPP and P300 on target detection for BCI. An eight-class BCI platform is developed to analyze ERPs and evaluate the target detection performance using linear discriminant analysis without complicated feature extraction processing. The online classification accuracy of 88.7% and information transfer rate of 38.7 bits min-1 using stimuli of inverted faces with only single trial suggest that the proposed paradigm based on the configural processing of faces is very promising for visual stimuli-driven BCI applications.

  9. Merging multireference perturbation and density-functional theories by means of range separation: Potential curves for Be2, Mg2, and Ca2

    DEFF Research Database (Denmark)

    Fromager, Emmanuel; Cimiraglia, Renzo; Jensen, Hans Jørgen Aagaard

    2010-01-01

    A rigorous combination of multireference perturbation theory and density functional theory (DFT) is proposed. Based on a range separation of the regular two-electron Coulomb interaction, it combines a short-range density functional with second-order strongly contracted n-electron valence state pe...

  10. Configuration model of partial repairable spares under batch ordering policy based on inventory state

    Institute of Scientific and Technical Information of China (English)

    Ruan Minzhi; Luo Yi; Li Hua

    2014-01-01

    Rational planning of spares configuration project is an effective approach to improve equipment availability as well as reduce life cycle cost (LCC). With an analysis of various impacts on support system, the spares demand rate forecast model is constructed. According to systemic analysis method, spares support effectiveness evaluation indicators system is built, and then, initial spares configuration and optimization method is researched. To the issue of discarding and con-sumption for incomplete repairable items, its expected backorders function is approximated by Laplace demand distribution. Combining the (s-1, s) and (R, Q) inventory policy, the spares resup-ply model is established under the batch ordering policy based on inventory state, and the optimi-zation analysis flow for spares configuration is proposed. Through application on shipborne equipment spares configuration, the given scenarios are analyzed under two constraint targets:one is the support effectiveness, and the other is the spares cost. Analysis reveals that the result is consistent with practical regulation;therefore, the model’s correctness, method’s validity as well as optimization project’s rationality are proved to a certain extent.

  11. [GIS-based evaluation of farmland soil fertility and its relationships with soil profile configuration pattern].

    Science.gov (United States)

    Li, Mei; Zhang, Xue-Lei

    2011-01-01

    Taking the mid and low yielding fields in Yanjin County, Henan Province as a case, and selecting soil organic matter, total N, total P, total K, available N, available P, available K, pH value, and cation exchange capacity as indicators, a comprehensive evaluation on soil fertility was conducted by the method of fuzzy mathematics and using software ArcGIS 9.2. Based on this evaluation, the differences in the soil fertility level under different soil profile configuration pattern were analyzed. In the study region, soils were slightly alkaline, poorer in total N, total P, available N, cation exchange capacity, organic matter, and available K, and medium in available P and total K. The integrated fertility index was 0.14-0.63, indicating that the soil fertility in the region was on the whole at a lower level. There existed significant differences in all indicators except available P and total K under different soil profile configuration patterns (P soil fertility and soil profile configuration. The soil profile loamy in surface soil and clayey in subsurface soil had a higher level of soil fertility, followed by that loamy in surface soil and sandy in subsurface soil, and sandy in both surface and surface soil. Overall, the soils in the region were bad in profile configuration, poor in water and nutrient conservation, and needed to be ameliorated aiming at these features.

  12. Variable Speed Wind Turbine Based on Multiple Generators Drive-Train Configuration

    DEFF Research Database (Denmark)

    Deng, Fujin; Chen, Zhe

    2010-01-01

    A variable speed wind turbine is presented in this paper, where multiple permanent magnet synchronous generators (MPMSGs) drive-train configuration is employed in the wind turbine. A cascaded multilevel converter interface based on the MPMSGs is developed to synthesize a desired high ac sinusoidal...... output voltage, which could be directly connected to the grids. What is more, such arrangement has been made so that the output ac voltage having a selected phase angle difference among the stator windings of multiple generators. A phase angle shift strategy is proposed in this paper, which effectively...... reduce the fluctuation of the electromagnetic torque sum and results in a good performance for the MPMSGs structure. The simulation study is conducted using PSCAD/EMTDC, and the results verify the feasibility of this variable speed wind turbine based on multiple generators drive-train configuration....

  13. A general end point free energy calculation method based on microscopic configurational space coarse-graining

    CERN Document Server

    Tian, Pu

    2015-01-01

    Free energy is arguably the most important thermodynamic property for physical systems. Despite the fact that free energy is a state function, presently available rigorous methodologies, such as those based on thermodynamic integration (TI) or non-equilibrium work (NEW) analysis, involve energetic calculations on path(s) connecting the starting and the end macrostates. Meanwhile, presently widely utilized approximate end-point free energy methods lack rigorous treatment of conformational variation within end macrostates, and are consequently not sufficiently reliable. Here we present an alternative and rigorous end point free energy calculation formulation based on microscopic configurational space coarse graining, where the configurational space of a high dimensional system is divided into a large number of sufficiently fine and uniform elements, which were termed conformers. It was found that change of free energy is essentially decided by change of the number of conformers, with an error term that accounts...

  14. Determination of absolute configuration using heavy atom based co-crystallization method: Halogen atom effects

    Science.gov (United States)

    Wang, Jian-Rong; Fan, Xiaowu; Ding, Qiaoce; Mei, Xuefeng

    2016-09-01

    Heavy atom (chloride, bromide, and iodide) based co-crystals for determination of absolute configuration (AC) for chiral molecules were synthesized and evaluated. Co-crystals of cholestanol and L-ascorbic acid were analysed and the effects and potential benefits of varying the heavy atom are discussed. Changing the halogen atoms (chloride, bromide, or iodide) affects the co-crystal formation, X-ray absorption, and anomalous dispersion, and hence the ability to determine AC.

  15. The space shuttle ascent vehicle aerodynamic challenges configuration design and data base development

    Science.gov (United States)

    Dill, C. C.; Young, J. C.; Roberts, B. B.; Craig, M. K.; Hamilton, J. T.; Boyle, W. W.

    1985-01-01

    The phase B Space Shuttle systems definition studies resulted in a generic configuration consisting of a delta wing orbiter, and two solid rocket boosters (SRB) attached to an external fuel tank (ET). The initial challenge facing the aerodynamic community was aerodynamically optimizing, within limits, this configuration. As the Shuttle program developed and the sensitivities of the vehicle to aerodynamics were better understood the requirements of the aerodynamic data base grew. Adequately characterizing the vehicle to support the various design studies exploded the size of the data base to proportions that created a data modeling/management challenge for the aerodynamicist. The ascent aerodynamic data base originated primarily from wind tunnel test results. The complexity of the configuration rendered conventional analytic methods of little use. Initial wind tunnel tests provided results which included undesirable effects from model support tructure, inadequate element proximity, and inadequate plume simulation. The challenge to improve the quality of test results by determining the extent of these undesirable effects and subsequently develop testing techniques to eliminate them was imposed on the aerodynamic community. The challenges to the ascent aerodynamics community documented are unique due to the aerodynamic complexity of the Shuttle launch. Never before was such a complex vehicle aerodynamically characterized. The challenges were met with innovative engineering analyses/methodology development and wind tunnel testing techniques.

  16. Vibrational Properties of Hydrogen-Bonded Systems Using the Multireference Generalization to the "On-the-Fly" Electronic Structure within Quantum Wavepacket ab Initio Molecular Dynamics (QWAIMD).

    Science.gov (United States)

    Li, Junjie; Li, Xiaohu; Iyengar, Srinivasan S

    2014-06-10

    We discuss a multiconfigurational treatment of the "on-the-fly" electronic structure within the quantum wavepacket ab initio molecular dynamics (QWAIMD) method for coupled treatment of quantum nuclear effects with electronic structural effects. Here, multiple single-particle electronic density matrices are simultaneously propagated with a quantum nuclear wavepacket and other classical nuclear degrees of freedom. The multiple density matrices are coupled through a nonorthogonal configuration interaction (NOCI) procedure to construct the instantaneous potential surface. An adaptive-mesh-guided set of basis functions composed of Gaussian primitives are used to simplify the electronic structure calculations. Specifically, with the replacement of the atom-centered basis functions positioned on the centers of the quantum-mechanically treated nuclei by a mesh-guided band of basis functions, the two-electron integrals used to compute the electronic structure potential surface become independent of the quantum nuclear variable and hence reusable along the entire Cartesian grid representing the quantum nuclear coordinates. This reduces the computational complexity involved in obtaining a potential surface and facilitates the interpretation of the individual density matrices as representative diabatic states. The parametric nuclear position dependence of the diabatic states is evaluated at the initial time-step using a Shannon-entropy-based sampling function that depends on an approximation to the quantum nuclear wavepacket and the potential surface. This development is meant as a precursor to an on-the-fly fully multireference electronic structure procedure embedded, on-the-fly, within a quantum nuclear dynamics formalism. We benchmark the current development by computing structural, dynamic, and spectroscopic features for a series of bihalide hydrogen-bonded systems: FHF(-), ClHCl(-), BrHBr(-), and BrHCl(-). We find that the donor-acceptor structural features are in good

  17. Configuration mixing within the energy density functional formalism: pathologies and cures

    CERN Document Server

    Lacroix, Denis; Duguet, Thomas

    2008-01-01

    Configuration mixing calculations performed in terms of the Skyrme/Gogny Energy Density Functional (EDF) rely on extending the Single-Reference energy functional into non-diagonal EDF kernels. The standard way to do so, based on an analogy with the pure Hamiltonian case and the use of the generalized Wick theorem, is responsible for the recently observed divergences and steps in Multi-Reference calculations. We summarize here the minimal solution to this problem recently proposed [Lacroix et al, arXiv:0809.2041] and applied with success to particle number restoration[Bender et al, arXiv:0809.2045]. Such a regularization method provides suitable corrections of pathologies for EDF depending on integer powers of the density. The specific case of fractional powers of the density[Duguet et al, arXiv:0809.2049] is also discussed.

  18. No-core configuration-interaction model for the isospin- and angular-momentum-projected states

    CERN Document Server

    Satula, W; Dobaczewski, J; Konieczka, M

    2016-01-01

    [Background] Single-reference density functional theory is very successful in reproducing bulk nuclear properties like binding energies, radii, or quadrupole moments throughout the entire periodic table. Its extension to the multi-reference level allows for restoring symmetries and, in turn, for calculating transition rates. [Purpose] We propose a new no-core-configuration-interaction (NCCI) model treating properly isospin and rotational symmetries. The model is applicable to any nucleus irrespective of its mass and neutron- and proton-number parity. It properly includes polarization effects caused by an interplay between the long- and short-range forces acting in the atomic nucleus. [Methods] The method is based on solving the Hill-Wheeler-Griffin equation within a model space built of linearly-dependent states having good angular momentum and properly treated isobaric spin. The states are generated by means of the isospin and angular-momentum projection applied to a set of low-lying (multi)particle-(multi)h...

  19. A New Classification Analysis of Customer Requirement Information Based on Quantitative Standardization for Product Configuration

    Directory of Open Access Journals (Sweden)

    Zheng Xiao

    2016-01-01

    Full Text Available Traditional methods used for the classification of customer requirement information are typically based on specific indicators, hierarchical structures, and data formats and involve a qualitative analysis in terms of stationary patterns. Because these methods neither consider the scalability of classification results nor do they regard subsequent application to product configuration, their classification becomes an isolated operation. However, the transformation of customer requirement information into quantifiable values would lead to a dynamic classification according to specific conditions and would enable an association with product configuration in an enterprise. This paper introduces a classification analysis based on quantitative standardization, which focuses on (i expressing customer requirement information mathematically and (ii classifying customer requirement information for product configuration purposes. Our classification analysis treated customer requirement information as follows: first, it was transformed into standardized values using mathematics, subsequent to which it was classified through calculating the dissimilarity with general customer requirement information related to the product family. Finally, a case study was used to demonstrate and validate the feasibility and effectiveness of the classification analysis.

  20. Configuring Web-based Media for Communication in Dispersed Project Groups

    DEFF Research Database (Denmark)

    Scheepers, Rens; Nicolajsen, Hanne Westh

    2006-01-01

    meetings, telephone) are not always viable options. Instead, computer-based communication media such as email, project intranets and extranets become surrogate conduits for day-to-day project communication and exchange of project-related content. We examined the effect of different media configurations......We studied how project groups in a pharmaceutical organization communicate project content. The project groups are geographically dispersed, and operate in different time zones. In such project environments, synchronous or geographically bounded modes of communication channels (e.g., face to face...... on the nature of content created by the project groups. We found that configuration decisions, notably the responsibility for content provision and who had access to content, influenced medium choice and the nature of communication taking place via the medium. More substantive content resulted when content...

  1. Configuration-sensitive infrared bands and vibrational assignments of S-alkyldithizones based on isotopic substitutions

    Science.gov (United States)

    Yamada, Osamu; Hiura, Hidehumi; Igarashi, Takashi; Kaneko, Norio; Takahashi, Hiroaki

    By comparison of the infrared spectra of S-methyl-, S-ethyl- and S-isopropyidithizones in the solid state, the configuration-sensitive i.r. bands have been obtained for the trans-syn-s-trans and trans-anti-s-trans configurations with respect to the NN, CN and CN bonds of the formazan skeleton. The vibrational assignment of S-methyldithizone has been made based on the frequency shifts on isotopic substitutions: 1,5- 15N- and 2,4- 15N- substitutions, deuterium substitutions of the methyl group, phenyl groups and NH group, and deuterium substitutions of both phenyl and NH groups.

  2. Chromophore Structure of Photochromic Fluorescent Protein Dronpa: Acid-Base Equilibrium of Two Cis Configurations.

    Science.gov (United States)

    Higashino, Asuka; Mizuno, Misao; Mizutani, Yasuhisa

    2016-04-07

    Dronpa is a novel photochromic fluorescent protein that exhibits fast response to light. The present article is the first report of the resonance and preresonance Raman spectra of Dronpa. We used the intensity and frequency of Raman bands to determine the structure of the Dronpa chromophore in two thermally stable photochromic states. The acid-base equilibrium in one photochromic state was observed by spectroscopic pH titration. The Raman spectra revealed that the chromophore in this state shows a protonation/deprotonation transition with a pKa of 5.2 ± 0.3 and maintains the cis configuration. The observed resonance Raman bands showed that the other photochromic state of the chromophore is in a trans configuration. The results demonstrate that Raman bands selectively enhanced for the chromophore yield valuable information on the molecular structure of the chromophore in photochromic fluorescent proteins after careful elimination of the fluorescence background.

  3. Speckle based configuration for simultaneous in vitro inspection of mechanical contractions of cardiac myocyte cells

    Science.gov (United States)

    Golberg, Mark; Fixler, Dror; Shainberg, Asher; Zlochiver, Sharon; Micó, Vicente; Garcia, Javier; Beiderman, Yevgeny; Zalevsky, Zeev

    2013-04-01

    In this manuscript we propose optical lensless configuration for a remote non-contact measuring of mechanical contractions of vast number of cardiac myocytes. All the myocytes were taken from rats, and the measurements were done in an in vitro mode. The optical method is based on temporal analysis of secondary reflected speckle patterns generated in lensless microscope configuration. The processing involves analyzing the movement and the change in the statistics of the generated secondary speckle patterns that are created on top of the cell culture when it is illuminated by a spot of laser beam. The main advantage of the proposed system is the ability to measure many cells simultaneously (approximately one thousand cells) and to extract the statistical data of their movement at once. The presented experimental results also include investigation the effect of isoproteranol on cells contraction process.

  4. Approach of virtual observations generation of a multi-reference GPS station network

    Science.gov (United States)

    Yu, Guorong

    2007-11-01

    The generation of virtual reference station observations to relay the corrections to the rover receiver for use with standard RTK software is one of important architectures of reference station networks RTK positioning. The approach of virtual observations generation based on a multi-reference GPS station network is presented in this paper. Ambiguities for the baselines in the reference network are determined firstly. The inter-reference-station differential spatially-correlated errors are estimated using highly accurate coordinates of the reference stations and resolved ambiguities. These spatially-correlated errors are interpolated among the network region as corrections. These network-generated corrections are used to correct the zero-differential observables of one reference station, which is usually the closest one to the rover (the so-called primary reference station). These corrected zero-differential observables, named virtual observations, are processed using conventional single reference station differential GPS algorithms. A test conducted using regional reference networks in Jiangsu(China) demonstrates the effectiveness of the approach to reduce the time to integer ambiguity resolution, and to increase the distance over which centimeter level accuracies can be achieved.

  5. A configurable component-based software system for magnetic field measurements

    Energy Technology Data Exchange (ETDEWEB)

    Nogiec, J.M.; DiMarco, J.; Kotelnikov, S.; Trombly-Freytag, K.; Walbridge, D.; Tartaglia, M.; /Fermilab

    2005-09-01

    A new software system to test accelerator magnets has been developed at Fermilab. The magnetic measurement technique involved employs a single stretched wire to measure alignment parameters and magnetic field strength. The software for the system is built on top of a flexible component-based framework, which allows for easy reconfiguration and runtime modification. Various user interface, data acquisition, analysis, and data persistence components can be configured to form different measurement systems that are tailored to specific requirements (e.g., involving magnet type or test stand). The system can also be configured with various measurement sequences or tests, each of them controlled by a dedicated script. It is capable of working interactively as well as executing a preselected sequence of tests. Each test can be parameterized to fit the specific magnet type or test stand requirements. The system has been designed with portability in mind and is capable of working on various platforms, such as Linux, Solaris, and Windows. It can be configured to use a local data acquisition subsystem or a remote data acquisition computer, such as a VME processor running VxWorks. All hardware-oriented components have been developed with a simulation option that allows for running and testing measurements in the absence of data acquisition hardware.

  6. Impact of fiber ring laser configuration on detection capabilities in FBG based sensor systems

    Science.gov (United States)

    Osuch, Tomasz; Kossek, Tomasz; Markowski, Konrad

    2014-11-01

    In this paper fiber ring lasers (FRL) as interrogation units for distributed fiber Bragg grating (FBG) based sensor networks are studied. In particular, two configurations of the fiber laser with erbium-doped fiber amplifier (EDFA) and semiconductor optical amplifier (SOA) as gain medium were analyzed. In the case of EDFA-based fiber interrogation systems, CW as well as active-mode locking operation were taken into account. The influence of spectral overlapping of FBGs spectra on detection capabilities of examined FRLs are presented. Experimental results show that the SOA-based fiber laser interrogation unit can operate as a multi-parametric sensing system. In turn, using an actively mode-locked fiber ring laser with an EDFA, an electronically switchable FBG based sensing system can be realized.

  7. A quantitative application of the J-based configuration analysis method to a flexible small molecule.

    Science.gov (United States)

    Sharman, Gary J

    2007-04-01

    An example of the use of the J-based configuration analysis method to determine relative stereochemistry of a small molecule related to reboxetine is described. This study was complicated by the fact that the molecule did not exhibit J-couplings and NOEs consistent with a single conformation, but rather an ensemble average. A quantitative fitting procedure using predicted couplings and NOEs from all possible conformers was used. This gave a clear indication of the stereochemistry, and the populations of the conformers involved.

  8. Multireference correlation consistent composite approach [MR-ccCA]: toward accurate prediction of the energetics of excited and transition state chemistry.

    Science.gov (United States)

    Oyedepo, Gbenga A; Wilson, Angela K

    2010-08-26

    The correlation consistent Composite Approach, ccCA [ Deyonker , N. J. ; Cundari , T. R. ; Wilson , A. K. J. Chem. Phys. 2006 , 124 , 114104 ] has been demonstrated to predict accurate thermochemical properties of chemical species that can be described by a single configurational reference state, and at reduced computational cost, as compared with ab initio methods such as CCSD(T) used in combination with large basis sets. We have developed three variants of a multireference equivalent of this successful theoretical model. The method, called the multireference correlation consistent composite approach (MR-ccCA), is designed to predict the thermochemical properties of reactive intermediates, excited state species, and transition states to within chemical accuracy (e.g., 1 kcal/mol for enthalpies of formation) of reliable experimental values. In this study, we have demonstrated the utility of MR-ccCA: (1) in the determination of the adiabatic singlet-triplet energy separations and enthalpies of formation for the ground states for a set of diradicals and unsaturated compounds, and (2) in the prediction of energetic barriers to internal rotation, in ethylene and its heavier congener, disilene. Additionally, we have utilized MR-ccCA to predict the enthalpies of formation of the low-lying excited states of all the species considered. MR-ccCA is shown to give quantitative results without reliance upon empirically derived parameters, making it suitable for application to study novel chemical systems with significant nondynamical correlation effects.

  9. Fiber-based modulated optical reflectance configuration allowing for offset pump and probe beams

    Science.gov (United States)

    Fleming, A.; Folsom, C.; Jensen, C.; Ban, H.

    2016-12-01

    A new fiber-based modulated optical reflectance configuration is developed in this work. The technique maintains the fiber-based heating laser (pump) and detection laser (probe) in close proximity at a fixed separation distance in a ceramic ferrule. The pump beam periodically heats the sample inducing thermal waves into the sample. The probe beam measures the temperature response at a known distance from the pump beam over a range of heating modulation frequencies. The thermal diffusivity of the sample may be calculated from the phase response between the input heat flux and the temperature response of a sample having a reflective surface. The unique measurement configuration is ideal for in situ measurements and has many advantages for laboratory-based systems. The design and development of the system are reported along with theoretical justification for the experimental design. The thermal diffusivities of Ge and SiC are measured and found to be within 10% of reported literature values. The diffusivity for SiO2 is measured with a relative difference of approximately 100% from the literature value when the ferrule is in contact with the sample. An additional measurement was made on the SiO2 sample with the ferrule not in contact resulting in a difference of less than 2% from the literature value. The difference in the SiO2 measurement when the ferrule is in contact with the sample is likely due to a parallel heat transfer path through the dual-fiber ferrule assembly.

  10. Configurable Resistive Switching between Memory and Threshold Characteristics for Protein-Based Devices

    KAUST Repository

    Wang, Hong

    2015-05-01

    The employ of natural biomaterials as the basic building blocks of electronic devices is of growing interest for biocompatible and green electronics. Here, resistive switching (RS) devices based on naturally silk protein with configurable functionality are demonstrated. The RS type of the devices can be effectively and exactly controlled by controlling the compliance current in the set process. Memory RS can be triggered by a higher compliance current, while threshold RS can be triggered by a lower compliance current. Furthermore, two types of memory devices, working in random access and WORM modes, can be achieved with the RS effect. The results suggest that silk protein possesses the potential for sustainable electronics and data storage. In addition, this finding would provide important guidelines for the performance optimization of biomaterials based memory devices and the study of the underlying mechanism behind the RS effect arising from biomaterials. Resistive switching (RS) devices with configurable functionality based on protein are successfully achieved. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. 40 CFR 600.206-08 - Calculation and use of FTP-based and HFET-based fuel economy values for vehicle configurations.

    Science.gov (United States)

    2010-07-01

    ... natural gas test fuel. (b) If only one equivalent petroleum-based fuel economy value exists for an... petroleum-based fuel economy for that configuration. (c) If more than one equivalent petroleum-based fuel... HFET-based fuel economy values for vehicle configurations. 600.206-08 Section 600.206-08 Protection...

  12. Hyperfine coupling constants from internally contracted multireference perturbation theory

    CERN Document Server

    Shiozaki, Toru

    2016-01-01

    We present an accurate method for calculating hyperfine coupling constants (HFCCs) based on the complete active space second-order perturbation theory (CASPT2) with full internal contraction. The HFCCs are computed as a first-order property using the relaxed CASPT2 spin-density matrix that takes into account orbital and configurational relaxation due to dynamical electron correlation. The first-order unrelaxed spin-density matrix is calculated from one- and two-body spin-free counterparts that are readily available in the CASPT2 nuclear gradient program [M. K. MacLeod and T. Shiozaki, J. Chem. Phys. 142, 051103 (2015)], whereas the second-order part is computed directly using the newly extended automatic code generator. The relaxation contribution is then calculated from the so-called Z-vectors that are available in the CASPT2 nuclear gradient program. Numerical results are presented for the CN and AlO radicals, for which the CASPT2 values are comparable (or, even superior in some cases) to the ones computed ...

  13. Hyperfine Coupling Constants from Internally Contracted Multireference Perturbation Theory.

    Science.gov (United States)

    Shiozaki, Toru; Yanai, Takeshi

    2016-09-13

    We present an accurate method for calculating hyperfine coupling constants (HFCCs) based on the complete active space second-order perturbation theory (CASPT2) with full internal contraction. The HFCCs are computed as a first-order property using the relaxed CASPT2 spin-density matrix that takes into account orbital and configurational relaxation due to dynamical electron correlation. The first-order unrelaxed spin-density matrix is calculated from one- and two-body spin-free counterparts that are readily available in the CASPT2 nuclear gradient program [M. K. MacLeod and T. Shiozaki, J. Chem. Phys. 142, 051103 (2015)], whereas the second-order part is computed directly using the newly extended automatic code generator. The relaxation contribution is then calculated from the so-called Z-vectors that are available in the CASPT2 nuclear gradient program. Numerical results are presented for the CN and AlO radicals, for which the CASPT2 values are comparable (or, even superior in some cases) to the ones computed by the coupled-cluster and density matrix renormalization group methods. The HFCCs for the hexaaqua complexes with V(II), Cr(III), and Mn(II) are also presented to demonstrate the accuracy and efficiency of our code.

  14. A practical tablet-based hearing aid configuration as an exemplar project for students of instrumentation

    Directory of Open Access Journals (Sweden)

    Ricardo Simeoni

    2015-06-01

    Full Text Available This paper presents the configuration and digital signal processing details of a tablet-based hearing aid transmitting wirelessly to standard earphones, whereby the tablet performs full sound processing rather than solely providing a means of setting adjustment by streaming to conventional digital hearing aids. The presented device confirms the recognized advantages of this tablet-based approach (e.g., in relation to cost, frequency domain processing, amplification range, versatility of functionality, component battery rechargeability, and flags the future wider-spread availability of such hearing solutions within mainstream healthcare. The use of a relatively high sampling frequency was found to be beneficial for device performance, while the use of optional off-the-shelf add-on components (e.g., data acquisition device, high fidelity microphone, compact wireless transmitter/ receiver, wired headphones are also discussed in relation to performance optimization. The easy-to-follow configuration utilized is well suited to student learning/research instrumentation projects within the health and biomedical sciences. In this latter regard, the presented device was pedagogically integrated into a flipped classroom approach for the teaching of bioinstrumentation within an Allied Health Sciences School, with the subsequent establishment of positive student engagement outcomes.

  15. Multireference spin-adapted variant of density functional theory.

    Science.gov (United States)

    Khait, Yuriy G; Hoffmann, Mark R

    2004-03-15

    A new Kohn-Sham formalism is developed for studying the lowest molecular electronic states of given space and spin symmetry whose densities are represented by weighted sums of several reference configurations. Unlike standard spin-density functional theory, the new formalism uses total spin conserving spin-density operators and spin-invariant density matrices so that the method is fully spin-adapted and solves the so-called spin-symmetry dilemma. The formalism permits the use of an arbitrary set of reference (noninteracting) configurations with any number of open shells. It is shown that the requirement of degeneracy of the total noninteracting energies of the reference configurations (or configuration state functions) is equivalent to the stationary condition of the exact energy relative to the weights of the configurations (or configuration state functions). Consequently, at any molecular geometry, the weights can be determined by minimization of the energy, and, for given reference weights, the Kohn-Sham orbitals can be determined. From this viewpoint, the developed theory can be interpreted as an analog of the multiconfiguration self-consistent field approach within density functional theory.

  16. V-Model based Configuration Management Program for New-Build Nuclear Power Plant

    Energy Technology Data Exchange (ETDEWEB)

    An, Kyungik [PartDB Co. Ltd., Daejeon (Korea, Republic of); Cho, Yoon Sang [KHNP Co. Ltd., Daejeon (Korea, Republic of); Freeland, Kent R. [Industrial Analysts Incorporated, New Hampshire (United States)

    2014-05-15

    As NPP operators undertook design basis reconstitution efforts, they began to realize that the design basis is a foundation for Configuration Management (CM). This realization was made evident in the magnitude of the problems that were being observed. This experience also raised serious questions about how the information being developed to produce the design basis documents would be kept up to date in the future. A process to reconstitute the design basis is likely to be ineffective if CM controls are not in place. The right IT solution for CM depends upon a number of factors, including the nuclear power plant culture, budget, target technology, and the nuclear power plant owner/operator's standards, requirements and limitations for its generating fleet. Comprehensive CM Program for NPP is the single greatest strategy to meet the commitment to nuclear excellence. The safety and viability of nuclear power, particularly at the fleet level, depends upon the development of positive design control and design basis to better understanding plant operating dynamics and margin management, along with technology to control the realization of such design in the physical plant. However the most of plant facilities are modified many times, often without suitable support needed to confirm with their design base and to update their engineering data, maintenance rules and operating procedures. This lack of equilibrium between the requirements, design information and physical plant still remains a important issue. This study focuses on how to manage the configuration information of NPP using systems engineering V-model approach, and proposes data model to manage the configuration information in relation to manage their life cycle. Comprehensive CM Program and IMS for NPP life cycle support is the greatest strategy to meet the commitment to nuclear safety.

  17. Measurement of nonlinear refractive index based on multiple configuration of FBG in generating multi wavelength

    Science.gov (United States)

    Abdullah, Mohd Nizam; Shaari, Sahbudin; Ehsan, Abang Annuar; Menon, Susthitha; Zakaria, Osman

    2015-06-01

    A reliable method for measurement of the nonlinear refractive index through application of multi wavelength phenomenon. Multi wavelength realisation based on Erbium doped fibre laser (EDFL) is proposed and experimentally demonstrated. A combination of 15 m high efficiency Erbium doped fibre (EDF) and a 20 m Photonic Crystal Fibre (PCF) as main catalyst to suppress the homogenous broadening of EDF and to obtain highly stability of multi wavelength through insertion of a set of fibre Bragg gratings (FBGs) in the cavity. This PCF has zero dispersion of 1040 nm which mismatch from transmission window of 1550 nm. A reliable repeatability of multi wavelength based on multiple configuration of FBGs less than 0.2% obtained. This consistent results influence in determination of nonlinear refractive index by relation of four wave mixing (FWM).

  18. Flow-acoustic Characterisation of a Cavity-based Combustor Configuration

    Directory of Open Access Journals (Sweden)

    Krishna Kant Agarwal

    2011-10-01

    Full Text Available This study concerns the flow-acoustic characterisation of a cavity-based combustor configuration. A well-validated numerical tool has been used to simulate the unsteady, two-dimensional reacting flow. Initially, a conventional flow over a cavity with dimensions and conditions corresponding to a compact cavity combustor was studied. Cavity mass injections in the form of fuel and air injections required for trapped vortex formation were then employed and the resonance features of this configuration were studied. The results indicate that the cavity depth mode resonance mechanism is dominant at the conditions studied in this work and that the oscillation frequencies do not change with cavity air injection. This observation is important since it implies that the only important variable which can alter resonant frequencies is the cavity depth. With combustion, the pressure oscillation amplitude was observed to increases significantly due to periodic entrainment of the cavity air jet and fluctuation of fuel-air mixture composition to produce highly fluctuating heat-release rates. The underlying mechanisms of the unsteady flow in the cavity combustor identified in this study indicate the strong dependence of the acoustics on the cavity injection strategies.Defence Science Journal, 2011, 61(6, pp.523-528, DOI:http://dx.doi.org/10.14429/dsj.61.870

  19. Self-Configuring Indoor Localization Based on Low-Cost Ultrasonic Range Sensors

    Directory of Open Access Journals (Sweden)

    Can Basaran

    2014-10-01

    Full Text Available In smart environments, target tracking is an essential service used by numerous applications from activity recognition to personalized infotaintment. The target tracking relies on sensors with known locations to estimate and keep track of the path taken by the target, and hence, it is crucial to have an accurate map of such sensors. However, the need for manually entering their locations after deployment and expecting them to remain fixed, significantly limits the usability of target tracking. To remedy this drawback, we present a self-configuring and device-free localization protocol based on genetic algorithms that autonomously identifies the geographic topology of a network of ultrasonic range sensors as well as automatically detects any change in the established network structure in less than a minute and generates a new map within seconds. The proposed protocol significantly reduces hardware and deployment costs thanks to the use of low-cost off-the-shelf sensors with no manual configuration. Experiments on two real testbeds of different sizes show that the proposed protocol achieves an error of 7.16~17.53 cm in topology mapping, while also tracking a mobile target with an average error of 11.71~18.43 cm and detecting displacements of 1.41~3.16 m in approximately 30 s.

  20. Quantum mechanical reaction probability of triplet ketene at the multireference second-order perturbation level of theory.

    Science.gov (United States)

    Ogihara, Yusuke; Yamamoto, Takeshi; Kato, Shigeki

    2010-09-23

    Triplet ketene exhibits a steplike structure in the experimentally observed dissociation rates, but its mechanism is still unknown despite many theoretical efforts in the past decades. In this paper we revisit this problem by quantum mechanically calculating the reaction probability with multireference-based electronic structure theory. Specifically, we first construct an analytical potential energy surface of triplet state by fitting it to about 6000 ab initio energies computed at the multireference second-order Mller-Plesset perturbation (MRMP2) level. We then evaluate the cumulative reaction probability by using the transition state wave packet method together with an adiabatically constrained Hamiltonian. The result shows that the imaginary barrier frequency on the triplet surface is 328i cm-1, which is close to the CCSD(T) result (321i cm-1) but is likely too large for reproducing the experimentally observed steps. Indeed, our calculated reaction probability exhibits no signature of steps, reflecting too strong tunneling effect along the reaction coordinate. Nevertheless, it is emphasized that the flatness of the potential profile in the transition-state region (which governs the degree of tunneling) depends strongly on the level of electronic structure calculation, thus leaving some possibility that the use of more accurate theories might lead to the observed steps. We also demonstrate that the triplet potential surface differs significantly between the CASSCF and MRMP2 results, particularly in the transition-state region. This fact seems to require more attention when studying the "nonadiabatic" scenario for the steps, in which the crossing seam between S0 and T1 surfaces is assumed to play a central role.

  1. Periodic Trends in Lanthanide Compounds through the Eyes of Multireference ab Initio Theory.

    Science.gov (United States)

    Aravena, Daniel; Atanasov, Mihail; Neese, Frank

    2016-05-01

    Regularities among electronic configurations for common oxidation states in lanthanide complexes and the low involvement of f orbitals in bonding result in the appearance of several periodic trends along the lanthanide series. These trends can be observed on relatively different properties, such as bonding distances or ionization potentials. Well-known concepts like the lanthanide contraction, the double-double (tetrad) effect, and the similar chemistry along the lanthanide series stem from these regularities. Periodic trends on structural and spectroscopic properties are examined through complete active space self-consistent field (CASSCF) followed by second-order N-electron valence perturbation theory (NEVPT2) including both scalar relativistic and spin-orbit coupling effects. Energies and wave functions from electronic structure calculations are further analyzed in terms of ab initio ligand field theory (AILFT), which allows one to rigorously extract angular overlap model ligand field, Racah, and spin-orbit coupling parameters directly from high-level ab initio calculations. We investigated the elpasolite Cs2NaLn(III)Cl6 (Ln(III) = Ce-Nd, Sm-Eu, Tb-Yb) crystals because these compounds have been synthesized for most Ln(III) ions. Cs2NaLn(III)Cl6 elpasolites have been also thoroughly characterized with respect to their spectroscopic properties, providing an exceptionally vast and systematic experimental database allowing one to analyze the periodic trends across the lanthanide series. Particular attention was devoted to the apparent discrepancy in metal-ligand covalency trends between theory and spectroscopy described in the literature. Consistent with earlier studies, natural population analysis indicates an increase in covalency along the series, while a decrease in both the nephelauxetic (Racah) and relativistic nephelauxetic (spin-orbit coupling) reduction with increasing atomic number is calculated. These apparently conflicting results are discussed on the

  2. Inner-valence states of N2(+) studied by UV photoelectron spectroscopy and configuration-interaction calculations

    Science.gov (United States)

    Baltzer, P.; Larsson, M.; Karlsson, L.; Wannberg, B.; Goethe, M. C.

    1992-11-01

    Spectrometric observations are conducted to examine the inner-valence photoelectron spectra of nitrogen molecules that are excited by He II. Spectra in the range 20-35 eV are studied by means of a UV source that provides high-resolution high-intensity readings for the radiation with a low photoionization cross section. Vibrational structures are reported in three electron bands related to cationic transitions, and a potential barrier towards dissociation is described. The three states of vibrational progression are given as C2Sigma(u)(+), D2Pi(g), and 3(2)Sigma(g)(+), and calculations of the same states are developed for comparison based on self-consistent-field and multireference configuration-interaction techniques. The present experimental and numerical results present data of interest in the interpretation of photoelectron spectroscopic astrophysical observations.

  3. All-Fiber Configuration Laser Self-Mixing Doppler Velocimeter Based on Distributed Feedback Fiber Laser.

    Science.gov (United States)

    Wu, Shuang; Wang, Dehui; Xiang, Rong; Zhou, Junfeng; Ma, Yangcheng; Gui, Huaqiao; Liu, Jianguo; Wang, Huanqin; Lu, Liang; Yu, Benli

    2016-07-27

    In this paper, a novel velocimeter based on laser self-mixing Doppler technology has been developed for speed measurement. The laser employed in our experiment is a distributed feedback (DFB) fiber laser, which is an all-fiber structure using only one Fiber Bragg Grating to realize optical feedback and wavelength selection. Self-mixing interference for optical velocity sensing is experimentally investigated in this novel system, and the experimental results show that the Doppler frequency is linearly proportional to the velocity of a moving target, which agrees with the theoretical analysis commendably. In our experimental system, the velocity measurement can be achieved in the range of 3.58 mm/s-2216 mm/s with a relative error under one percent, demonstrating that our novel all-fiber configuration velocimeter can implement wide-range velocity measurements with high accuracy.

  4. Excited electronic states from a variational approach based on symmetry-projected Hartree--Fock configurations

    CERN Document Server

    Jiménez-Hoyos, Carlos A; Scuseria, Gustavo E

    2013-01-01

    Recent work from our research group has demonstrated that symmetry-projected Hartree--Fock (HF) methods provide a compact representation of molecular ground state wavefunctions based on a superposition of non-orthogonal Slater determinants. The symmetry-projected ansatz can account for static correlations in a computationally efficient way. Here we present a variational extension of this methodology applicable to excited states of the same symmetry as the ground state. Benchmark calculations on the C$_2$ dimer with a modest basis set, which allows comparison with full configuration interaction results, indicate that this extension provides a high quality description of the low-lying spectrum for the entire dissociation profile. We apply the same methodology to obtain the full low-lying vertical excitation spectrum of formaldehyde, in good agreement with available theoretical and experimental data, as well as to a challenging model $C_{2v}$ insertion pathway for BeH$_2$. The variational excited state methodolo...

  5. The role of the magnetic orbitals in the calculation of the magnetic coupling constants from multireference perturbation theory methods.

    Science.gov (United States)

    Angeli, Celestino; Calzado, Carmen J

    2012-07-21

    The use of multireference perturbation theory (MRPT) for the calculation of the magnetic coupling in binuclear complexes has shown to give poor results if applied on a minimal active space complete active space self-consistent field (CASSCF) wavefunction. In this work, we identify the origin of this problem in the starting CASSCF orbitals, which are exceedingly localized on the metal atoms. Focusing on the case of antiferromagnetic systems, it is shown that the form of the active orbitals has a dramatic effect on the relative description of the neutral and ionic structures. Finally, a simple and computational inexpensive strategy is proposed for the calculation of a set of magnetic orbitals describing in a more balanced way the neutral and ionic structures. The use of these orbitals, instead the CASSCF ones, in minimal active space MRPT2 calculations leads to a marked improvement of the J values, which become in reasonable agreement with those obtained with the expensive high level difference dedicated configuration interaction approach and with the experimental values.

  6. Accurate bond energies of biodiesel methyl esters from multireference averaged coupled-pair functional calculations.

    Science.gov (United States)

    Oyeyemi, Victor B; Keith, John A; Carter, Emily A

    2014-09-04

    Accurate bond dissociation energies (BDEs) are important for characterizing combustion chemistry, particularly the initial stages of pyrolysis. Here we contribute to evaluating the thermochemistry of biodiesel methyl ester molecules using ab initio BDEs derived from a multireference averaged coupled-pair functional (MRACPF2)-based scheme. Having previously validated this approach for hydrocarbons and a variety of oxygenates, herein we provide further validation for bonds within carboxylic acids and methyl esters, finding our scheme predicts BDEs within chemical accuracy (i.e., within 1 kcal/mol) for these molecules. Insights into BDE trends with ester size are then analyzed for methyl formate through methyl crotonate. We find that the carbonyl group in the ester moiety has only a local effect on BDEs. C═C double bonds in ester alkyl chains are found to increase the strengths of bonds adjacent to the double bond. An important exception are bonds beta to C═C or C═O bonds, which produce allylic-like radicals upon dissociation. The observed trends arise from different degrees of geometric relaxation and resonance stabilization in the radicals produced. We also compute BDEs in various small alkanes and alkenes as models for the long hydrocarbon chain of actual biodiesel methyl esters. We again show that allylic bonds in the alkenes are much weaker than those in the small methyl esters, indicating that hydrogen abstractions are more likely at the allylic site and even more likely at bis-allylic sites of alkyl chains due to more electrons involved in π-resonance in the latter. Lastly, we use the BDEs in small surrogates to estimate heretofore unknown BDEs in large methyl esters of biodiesel fuels.

  7. Optimal Sunshade Configurations for Space-Based Geoengineering near the Sun-Earth L1 Point.

    Science.gov (United States)

    Sánchez, Joan-Pau; McInnes, Colin R

    2015-01-01

    Within the context of anthropogenic climate change, but also considering the Earth's natural climate variability, this paper explores the speculative possibility of large-scale active control of the Earth's radiative forcing. In particular, the paper revisits the concept of deploying a large sunshade or occulting disk at a static position near the Sun-Earth L1 Lagrange equilibrium point. Among the solar radiation management methods that have been proposed thus far, space-based concepts are generally seen as the least timely, albeit also as one of the most efficient. Large occulting structures could potentially offset all of the global mean temperature increase due to greenhouse gas emissions. This paper investigates optimal configurations of orbiting occulting disks that not only offset a global temperature increase, but also mitigate regional differences such as latitudinal and seasonal difference of monthly mean temperature. A globally resolved energy balance model is used to provide insights into the coupling between the motion of the occulting disks and the Earth's climate. This allows us to revise previous studies, but also, for the first time, to search for families of orbits that improve the efficiency of occulting disks at offsetting climate change on both global and regional scales. Although natural orbits exist near the L1 equilibrium point, their period does not match that required for geoengineering purposes, thus forced orbits were designed that require small changes to the disk attitude in order to control its motion. Finally, configurations of two occulting disks are presented which provide the same shading area as previously published studies, but achieve reductions of residual latitudinal and seasonal temperature changes.

  8. Optimal Sunshade Configurations for Space-Based Geoengineering near the Sun-Earth L1 Point.

    Directory of Open Access Journals (Sweden)

    Joan-Pau Sánchez

    Full Text Available Within the context of anthropogenic climate change, but also considering the Earth's natural climate variability, this paper explores the speculative possibility of large-scale active control of the Earth's radiative forcing. In particular, the paper revisits the concept of deploying a large sunshade or occulting disk at a static position near the Sun-Earth L1 Lagrange equilibrium point. Among the solar radiation management methods that have been proposed thus far, space-based concepts are generally seen as the least timely, albeit also as one of the most efficient. Large occulting structures could potentially offset all of the global mean temperature increase due to greenhouse gas emissions. This paper investigates optimal configurations of orbiting occulting disks that not only offset a global temperature increase, but also mitigate regional differences such as latitudinal and seasonal difference of monthly mean temperature. A globally resolved energy balance model is used to provide insights into the coupling between the motion of the occulting disks and the Earth's climate. This allows us to revise previous studies, but also, for the first time, to search for families of orbits that improve the efficiency of occulting disks at offsetting climate change on both global and regional scales. Although natural orbits exist near the L1 equilibrium point, their period does not match that required for geoengineering purposes, thus forced orbits were designed that require small changes to the disk attitude in order to control its motion. Finally, configurations of two occulting disks are presented which provide the same shading area as previously published studies, but achieve reductions of residual latitudinal and seasonal temperature changes.

  9. FPGA implementation of a configurable neuromorphic CPG-based locomotion controller.

    Science.gov (United States)

    Barron-Zambrano, Jose Hugo; Torres-Huitzil, Cesar

    2013-09-01

    Neuromorphic engineering is a discipline devoted to the design and development of computational hardware that mimics the characteristics and capabilities of neuro-biological systems. In recent years, neuromorphic hardware systems have been implemented using a hybrid approach incorporating digital hardware so as to provide flexibility and scalability at the cost of power efficiency and some biological realism. This paper proposes an FPGA-based neuromorphic-like embedded system on a chip to generate locomotion patterns of periodic rhythmic movements inspired by Central Pattern Generators (CPGs). The proposed implementation follows a top-down approach where modularity and hierarchy are two desirable features. The locomotion controller is based on CPG models to produce rhythmic locomotion patterns or gaits for legged robots such as quadrupeds and hexapods. The architecture is configurable and scalable for robots with either different morphologies or different degrees of freedom (DOFs). Experiments performed on a real robot are presented and discussed. The obtained results demonstrate that the CPG-based controller provides the necessary flexibility to generate different rhythmic patterns at run-time suitable for adaptable locomotion.

  10. Production configuration of product families : An Approach based on Petri Nets

    NARCIS (Netherlands)

    Zhang, L.; Rodrigues, B.; Slomp, J.; Gaalman, G.J.C.; Cordeiro, J; Filipe, J

    2008-01-01

    Configuring production processes for product families has been acknowledged as an effective means of dealing with product variety while maintaining production stability and efficiency. In an attempt to assist practitioners to better understand and implement production configuration, we study the und

  11. Interference-type time lens based on temporal hologram in a loop configuration.

    Science.gov (United States)

    Hu, Xiao; Li, Honggen

    2015-12-10

    An alternative scheme is proposed for implementing a time lens based on the temporal hologram concept. Instead of using edge-pass filtering, this scheme achieves the keeping of only the time-lens (quadratic phase modulation) term of interest through the interference of two modulated component beams. In this scheme, an additional linear frequency component does not have to be added to the electronic drive signal to avoid the overlapping of the target frequency component and its conjugate of the modulated signal. Thus, the proposed hologram-based time lens is not only able to relax the limitation of the bandwidth and sampling rate of the arbitrary waveform generator on the time-bandwidth product and resolution to some extent, but is also capable of processing shorter input pulse signals. These advantages make the proposed interference-type hologram time lens especially suitable for use in a loop configuration, where it can be reused when the signal pulse circulates in the loop. This promises significantly enhanced time-bandwidth product and resolution, and the temporal aperture size can be designed as large as desired theoretically.

  12. Surface Electromyography-Based Facial Expression Recognition in Bi-Polar Configuration

    Directory of Open Access Journals (Sweden)

    Mahyar Hamedi

    2011-01-01

    Full Text Available Problem statement: Facial expression recognition has been improved recently and it has become a significant issue in diagnostic and medical fields, particularly in the areas of assistive technology and rehabilitation. Apart from their usefulness, there are some problems in their applications like peripheral conditions, lightening, contrast and quality of video and images. Approach: Facial Action Coding System (FACS and some other methods based on images or videos were applied. This study proposed two methods for recognizing 8 different facial expressions such as natural (rest, happiness in three conditions, anger, rage, gesturing ‘a’ like in apple word and gesturing no by pulling up the eyebrows based on Three-channels in Bi-polar configuration by SEMG. Raw signals were processed in three main steps (filtration, feature extraction and active features selection sequentially. Processed data was fed into Support Vector Machine and Fuzzy C-Means classifiers for being classified into 8 facial expression groups. Results: 91.8 and 80.4% recognition ratio had been achieved for FCM and SVM respectively. Conclusion: The confirmed enough accuracy and power in this field of study and FCM showed its better ability and performance in comparison with SVM. It’s expected that in near future, new approaches in the frequency bandwidth of each facial gesture will provide better results.

  13. Bridging single and multireference coupled cluster theories with universal state selective formalism.

    Science.gov (United States)

    Bhaskaran-Nair, Kiran; Kowalski, Karol

    2013-05-28

    The universal state selective (USS) multireference approach is used to construct new energy functionals which offer a possibility of bridging single and multireference coupled cluster theories (SR/MRCC). These functionals, which can be used to develop iterative and non-iterative approaches, utilize a special form of the trial wavefunctions, which assure additive separability (or size-consistency) of the USS energies in the non-interacting subsystem limit. When the USS formalism is combined with approximate SRCC theories, the resulting formalism can be viewed as a size-consistent version of the method of moments of coupled cluster equations employing a MRCC trial wavefunction. Special cases of the USS formulations, which utilize single reference state specific CC [V. V. Ivanov, D. I. Lyakh, and L. Adamowicz, Phys. Chem. Chem. Phys. 11, 2355 (2009)] and tailored CC [T. Kinoshita, O. Hino, and R. J. Bartlett, J. Chem. Phys. 123, 074106 (2005)] expansions are also discussed.

  14. Preparation of the spacer for narrow electrode gap configuration in ionization-based gas sensor

    Energy Technology Data Exchange (ETDEWEB)

    Saheed, Mohamed Shuaib Mohamed; Mohamed, Norani Muti; Burhanudin, Zainal Arif [Electrical and Electronic Engineering, Universiti Teknologi PETRONAS, Seri Iskandar, Tronoh, Perak. (Malaysia); Fundamental and Applied Science, Universiti Teknologi PETRONAS, Seri Iskandar, Tronoh, Perak. (Malaysia); Electrical and Electronic Engineering, Universiti Teknologi PETRONAS, Seri Iskandar, Tronoh, Perak. (Malaysia)

    2012-09-26

    Carbon nanotubes (CNTs) have started to be developed as the sensing element for ionization-based gas sensors due to the demand for improved sensitivity, selectivity, stability and other sensing properties beyond what can be offered by the conventional ones. Although these limitations have been overcome, the problems still remain with the conventional ionization-based gas sensors in that they are bulky and operating with large breakdown voltage and high temperature. Recent studies have shown that the breakdown voltage can be reduced by using nanostructured electrodes and narrow electrode gap. Nanostructured electrode in the form of aligned CNTs array with evenly distributed nanotips can enhance the linear electric field significantly. The later is attributed to the shorter conductivity path through narrow electrode gap. The paper presents the study on the design consideration in order to realize ionization based gas sensor using aligned carbon nanotubes array in an optimum sensor configuration with narrow electrode gap. Several deposition techniques were studied to deposit the spacer, the key component that can control the electrode gap. Plasma spray deposition, electron beam deposition and dry oxidation method were employed to obtain minimum film thickness around 32 {mu}m. For plasma spray method, sand blasting process is required in order to produce rough surface for strong bonding of the deposited film onto the surface. Film thickness, typically about 39 {mu}m can be obtained. For the electron beam deposition and dry oxidation, the film thickness is in the range of nanometers and thus unsuitable to produce the spacer. The deposited multilayer film consisting of copper, alumina and ferum on which CNTs array will be grown was found to be removed during the etching process. This is attributed to the high etching rate on the thin film which can be prevented by reducing the rate and having a thicker conductive copper film.

  15. Density matrix based time-dependent configuration interaction approach to ultrafast spin-flip dynamics

    CERN Document Server

    Wang, H; Kühn, O

    2016-01-01

    Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic time scales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit coupling is weak and processes related to the electron spin are usually driven by nuclear motion. However, for core-excited states, where the core hole has a nonzero angular momentum, spin-orbit coupling is strong enough to drive spin-flips on a much shorter time scale. Using density matrix based time-dependent restricted active space configuration interaction including spin-orbit coupling, we address an unprecedentedly short spin-crossover for the example of L-edge (2p$\\rightarrow$3d) excited states of a prototypical Fe(II) complex. This process occurs on a time scale, which is faster than that of Auger decay ($\\sim$4\\,fs) treated here explicitly. Modest variations of carrier frequency and pulse duration can lead to substantial changes in the spin-state yield, suggesting its cont...

  16. Membrane-based sample preparation for ion chromatography-Techniques, instrumental configurations and applications.

    Science.gov (United States)

    Frenzel, Wolfgang; Markeviciute, Inga

    2017-01-06

    Sample preparation is the bottleneck of many analytical methods, including ion chromatography (IC). Procedures based on the application of membranes are important, yet not well appreciated means for clean-up and analyte preconcentration of liquid samples. Filtration, ultrafiltration, the variety of dialysis techniques, i.e. passive dialysis, Donnan dialysis and electrodialysis, as well as gas-diffusion are being reviewed here with respect to their application in combination with IC. Instrumental aspects including hardware requirements, configuration of membrane separation units and membrane characteristics are presented. Operation in batch and flow-through mode is described with emphasis on the latter to in-line coupling with IC, permitting fully automated operation. Attention is also drawn to dialysis probes and microdialysis both providing options for in-situ measurements with inherent selective sampling of analytes and sample preparation. The respective features of the various techniques are outlined with respect to the possibilities of matrix removal and selectivity enhancement. In this article, we provide examples of application of the diverse membrane separation techniques and discuss the benefits and limitations thereof.

  17. A case for spiking neural network simulation based on configurable multiple-FPGA systems.

    Science.gov (United States)

    Yang, Shufan; Wu, Qiang; Li, Renfa

    2011-09-01

    Recent neuropsychological research has begun to reveal that neurons encode information in the timing of spikes. Spiking neural network simulations are a flexible and powerful method for investigating the behaviour of neuronal systems. Simulation of the spiking neural networks in software is unable to rapidly generate output spikes in large-scale of neural network. An alternative approach, hardware implementation of such system, provides the possibility to generate independent spikes precisely and simultaneously output spike waves in real time, under the premise that spiking neural network can take full advantage of hardware inherent parallelism. We introduce a configurable FPGA-oriented hardware platform for spiking neural network simulation in this work. We aim to use this platform to combine the speed of dedicated hardware with the programmability of software so that it might allow neuroscientists to put together sophisticated computation experiments of their own model. A feed-forward hierarchy network is developed as a case study to describe the operation of biological neural systems (such as orientation selectivity of visual cortex) and computational models of such systems. This model demonstrates how a feed-forward neural network constructs the circuitry required for orientation selectivity and provides platform for reaching a deeper understanding of the primate visual system. In the future, larger scale models based on this framework can be used to replicate the actual architecture in visual cortex, leading to more detailed predictions and insights into visual perception phenomenon.

  18. Formulation and implementation of a unitary group adapted state universal multi-reference coupled cluster (UGA-SUMRCC) theory: excited and ionized state energies.

    Science.gov (United States)

    Sen, Sangita; Shee, Avijit; Mukherjee, Debashis

    2012-08-21

    The traditional state universal multi-reference coupled cluster (SUMRCC) theory uses the Jeziorski-Monkhorst (JM) based Ansatz of the wave operator: Ω = Σ(μ)Ω(μ)|φ(μ)>function φ(μ). In the first formulations, φ(μ)s were chosen to be single determinants and T(μ)s were defined in terms of spinorbitals. This leads to spin-contamination for the non-singlet cases. In this paper, we propose and implement an explicitly spin-free realization of the SUMRCC theory. This method uses spin-free unitary generators in defining the cluster operators, {T(μ)}, which even at singles-doubles truncation, generates non-commuting cluster operators. We propose the use of normal-ordered exponential parameterization for Ω:Σ(μ){exp(T(μ))}|φ(μ)>functions {φ(μ)} as unitary group adapted (UGA) Gel'fand states which is why we call our theory UGA-SUMRCC. In the spirit of the original SUMRCC, we choose exactly the right number of linearly independent cluster operators in {T(μ)} such that no redundancies in the virtual functions {χ(μ)(l)} are involved. Using example applications for electron detached/attached and h-p excited states relative to a closed shell ground state we discuss how to choose the most compact and non-redundant cluster operators. Although there exists a more elaborate spin-adapted JM-like ansatz of Datta and Mukherjee (known as combinatoric open-shell CC (COS-CC), its working equations are more complex. Results are compared with those from COS-CC, equation of motion coupled cluster methods, restricted open-shell Hartree-Fock coupled cluster, and full configuration interaction. We observe that our results are more accurate with respect to most other theories as a result of the use of the cluster expansion structure for our wave operator. Our results are comparable to those from the more involved COS-CC, indicating that our theory captures the most important aspects of physics with a considerably simpler scheme.

  19. Best Sensor Configuration and Accommodation Rule Based on Navigation Performance for INS with Seven Inertial Sensors

    Directory of Open Access Journals (Sweden)

    Cheol-Kwan Yang

    2009-10-01

    Full Text Available This paper considers the best sensor configuration and fault accommodation problem for inertial navigation systems which use seven inertial sensors such as gyroscopes and accelerometers. We prove that when six inertial sensors are used, the isolation of a double fault cannot be achieved for some combinations of fault magnitudes, whereas when seven inertial sensors are used, the isolation of any double fault can be achieved. There are many configurations which provide the minimum position errors. This paper proposes four configurations which show the best navigation performance and compares their FDI performances. Considering the FDI performance and the complexity of the accommodation rule, we choose one sensor configuration and provide accommodation rules for double faults. A Monte Carlo simulation is performed to show that the accommodation rules work well.

  20. ACES-Based Testbed and Bayesian Game-Theoretic Framework for Dynamic Airspace Configuration Project

    Data.gov (United States)

    National Aeronautics and Space Administration — The key innovation in this effort is the development of algorithms and a framework for automated Dynamic Airspace Configuration (DAC) using a cooperative Bayesian...

  1. eDT and Model-based Configuration of 12GeV CEBAF

    Energy Technology Data Exchange (ETDEWEB)

    Turner, Dennison L. [Jefferson Lab, Newport News, VA (United States)

    2015-09-01

    This poster will discuss model-driven setup of CEBAF for the 12GeV era, focusing on the elegant Download Tool (eDT). eDT is a new operator tool that generates magnet design setpoints for various machine energies and pass configurations. eDT was developed in the effort towards a process for reducing machine configuration time and reproducibility by way of an accurate accelerator model.

  2. Compact, mission configurable mm-wave spectrometer based on a channel drop filter

    Science.gov (United States)

    Smirnova, Evgenya I.; Bailey, Aimee G.; Earley, Lawrence M.; Kurennoy, Sergey S.

    2007-04-01

    We have developed a novel mm-wave spectrometer based on a Photonic Band Gap (PBG) channel-drop filter (CDF). There is a need for a compact wide-band versatile and configurable mm-wave spectrometer for applications in mm-wave communications and remote sensing. CDFs present us with a unique means for filtering frequencies at mm-waves. CDF is a novel concept allowing filtering the frequency spectra and channeling selected frequencies into separate waveguides through a PBG structure. We have designed a spectrometer with a CDF working in the frequency range of 90-130 GHz. The CDF can be connected to any type of antenna and detector. A large ground based outdoor antenna can be used for remote sensing with radars. A compact antenna can be used for indoor or space applications. The signal in the waveguide channels can be measured with any type of sensor such as a cooled bolometer or a room temperature mm-wave diode. The size of the spectrometer is under 5 inches by 5 inches and just a quarter of an inch in thick. Multiple filters can be stacked together to construct a mission specific package. We propose to construct the filter with silicon rods on a 100mm silicon wafer using MEMS technology. We will then evaluate the filter at our mm-wave laboratory to demonstrate the channeling of frequencies in a proof-of-principle experiment at 100GHz. This technology will work well for frequencies from 60GHz to 1000GHz.

  3. Evaluation of quantum dot-based concentric FRET configurations with a fluorescent dye and dark quencher for multiplexed bioanalyses

    Science.gov (United States)

    Conroy, Erin M.; Algar, W. Russ

    2014-03-01

    Semiconductor quantum dots (QDs) continue to emerge as a highly advantageous platform for bioanalysis. Their unique physical and optical properties are especially well suited for Förster resonance energy transfer (FRET)-based bioprobes. Concentric FRET configurations are a recent development in this area of research and are best described as QD bioconjugates where multiple energy transfer pathways have been assembled around the central QD. Concentric FRET configurations permit multiplexed bioanalysis using one type of QD vector, but require more sophisticated analyses than conventional FRET pairs. In this paper, we describe the design and characterization of a new concentric FRET configuration that assembles both a fluorescent dye, Alexa Fluor 555 or Alexa Fluor 647, and a dark quencher, QSY9, at different ratios around a central CdSeS/ZnS QD. It was found that the magnitudes of the total photoluminescence (PL) intensity and either the A555/QD or A647/QD PL ratio can be related to the number of QSY9 and A555 or A647 per QD. The trends in these parameters with changes in the number of each dye molecule per QD have both similarities and differences between configurations with A555 and A647. In each case, a system of equations can be defined to permit calculation of the number of each dye molecule per QD from PL measurements. Both of these dark quencher-based concentric FRET configurations are therefore good candidates for quantitative, multiplexed bioanalysis.

  4. Electrochemical surface plasmon resonance sensor based on two-electrode configuration

    Science.gov (United States)

    Zhang, Bing; Li, Yazhuo; Dong, Wei; Wen, Yizhang; Pang, Kai; Zhan, Shuyue; Wang, Xiaoping

    2016-10-01

    To obtain detailed information about electrochemistry reactions, a two-electrode electrochemical surface plasmon resonance (EC-SPR) sensor has been proposed. We describe the theory of potential modulation for this novel sensor and determine the factors that can change the SPR resonance angle. The reference electrode in three-electrode configuration was eliminated, and comparing with several other electrode materials, activated carbon (AC) is employed as the suitable counter electrode for its potential stability. Just like three-electrode configuration, the simpler AC two-electrode system can also obtain detailed information about the electrochemical reactions.

  5. Multi-configuration time-dependent density-functional theory based on range separation

    DEFF Research Database (Denmark)

    Fromager, E.; Knecht, S.; Jensen, Hans Jørgen Aagaard

    2013-01-01

    Multi-configuration range-separated density-functional theory is extended to the time-dependent regime. An exact variational formulation is derived. The approximation, which consists in combining a long-range Multi-Configuration- Self-Consistent Field (MCSCF) treatment with an adiabatic short...... (srGGA) approximations. As expected, when modeling long-range interactions with the MCSCF model instead of the adiabatic Buijse-Baerends density-matrix functional as recently proposed by Pernal [J. Chem. Phys. 136, 184105 (2012)10.1063/1.4712019], the description of both the 1D doubly-excited state...

  6. A Dynamically Configurable Log-based Distributed Security Event Detection Methodology using Simple Event Correlator

    Science.gov (United States)

    2010-06-01

    Informational. “Server seems busy ...” debug Debug -level messages. “Opening config file ...” The Apache error log is without doubt the most important log file...configured and debugged on the fly through the use of operating system signals. Table 2.4 shows the signals to which SEC is configured to respond and the...login indicators type=Single continue=TakeNext ptype=RegExp pattern =(.*)\\s\\[(.*) \\]\\s.*\\s.*\\s(.*? login \\.(jsp|asp| php |pl))\\s.*\\s... \\"(\\?( user

  7. Electronic structure and relative stability of 1:1 Cu-O2 adducts from difference-dedicated configuration interaction calculations.

    Science.gov (United States)

    Zapata-Rivera, Jhon; Caballol, Rosa; Calzado, Carmen J

    2011-04-30

    A computational strategy to analyze Cu-O(2) adducts based on the use of difference-dedicated configuration interaction (DDCI) calculations is presented. The electronic structure, vertical gaps and nature of the metal-O(2) interaction, and the extension of the charge transfer between both fragments have been investigated. Relative stabilities between isomers are determined from triplet states CCSD(T) calculations. The key point of the here proposed strategy rests on the use of a rationally designed active space, containing only those orbitals, which optimize the interaction pathways between LCu and O(2) fragments. The procedure has been tested on a broad set of model and synthetic biomimetic systems, the results compared with previous theoretical evaluations and/or available experimental data. Our study indicates that this strategy can be considered as an alternative approach to multireference second-order perturbation theory methods to deal with this type of systems with remarkable biradical nature.

  8. Submersible Unmanned Aerial Vehicle: Configuration Design and Analysis Based on Computational Fluid Dynamics

    Directory of Open Access Journals (Sweden)

    Wang Qinyang

    2017-01-01

    Full Text Available Submersible aerial vehicle is capable of both flying in the air and submerging in the water. Advanced Research Project Agency (DARPA outlined a challenging set of requirements for a submersible aircraft and solicited innovative research proposals on submersible aircraft since 2008. In this paper, a conceptual configuration design scheme of submersible unmanned aerial vehicle is proposed. This submersible UAV lands on the surface of water, then adjusts its own density to entry water. On the contrary, it emerges from water by adjusting its own density and then takes off from the surface of water. Wing of the UAV is whirling wing. It is set along aircraft’s fuselage while submerging for lift reduction. We analysis aerodynamic and hydrodynamic performance of this UAV by CFD method, especially compare the hydrodynamic performance of the whirling wing configuration and normal configuration. It turns out that whirling wing is beneficial for submerging. This result proves that the configuration design scheme proposed in this paper is feasible and suitable for a submersible unmanned aerial vehicle.

  9. A novel multireceiver communications system configuration based on optimal estimation theory

    Science.gov (United States)

    Kumar, R.

    1990-01-01

    A multireceiver configuration for the purpose of carrier arraying and/or signal arraying is presented. Such a problem arises for example, in the NASA Deep Space Network where the same data-modulated signal from a spacecraft is received by a number of geographically separated antennas and the data detection must be efficiently performed on the basis of the various received signals. The proposed configuration is arrived at by formulating the carrier and/or signal arraying problem as an optimal estimation problem. Two specific solutions are proposed. The first solution is to simultaneously and optimally estimate the various phase processes received at different receivers with coupled phase locked loops (PLLs) wherein the individual PLLs acquire and track their respective receivers' phase processes, but are aided by each other in an optimal manner. However, when the phase processes are relatively weakly correlated, and for the case of relatively high values of symbol energy-to-noise spectral density ratio, a novel configuration for combining the data modulated, loop-output signals is proposed. The scheme can be extended to the case of low symbol energy-to-noise case by performing the combining/detection process over a multisymbol period. Such a configuration results in the minimization of the effective radio loss at the combiner output, and thus a maximization of energy per bit to noise-power spectral density ration is achieved.

  10. Supply Chain Partners and Configuration Selection : An Intuitionistic Fuzzy Chouquet Integral Operator Based Approach

    NARCIS (Netherlands)

    Ashayeri, J.; Tuzkaya, G.; Tuzkaya, U.

    2010-01-01

    The concept of a supply chain exists for over twenty years but partners and configuration selection process still is rather unstructured. In order to increase value in any supply chain, a more comprehensive and integrative approach is required to select the right partners and establish the right con

  11. Developmental Trajectories of Part-Based and Configural Object Recognition in Adolescence

    Science.gov (United States)

    Juttner, Martin; Wakui, Elley; Petters, Dean; Kaur, Surinder; Davidoff, Jules

    2013-01-01

    Three experiments assessed the development of children's part and configural (part-relational) processing in object recognition during adolescence. In total, 312 school children aged 7-16 years and 80 adults were tested in 3-alternative forced choice (3-AFC) tasks. They judged the correct appearance of upright and inverted presented familiar…

  12. Millimeter‐wave INP DHBT power amplifier based on power‐optimized cascode configuration

    DEFF Research Database (Denmark)

    Johansen, Tom K.; Yan, Lei; Dupuy, Jean‐Yves;

    2013-01-01

    This letter describes the use of a power‐optimized cascode configuration for obtaining maximum output power at millimeter‐wave (mm‐wave) frequencies for a two‐way combined power amplifier (PA). The PA has been fabricated in a high‐speed InP double heterojunction bipolar transistor technology...

  13. A graph based algorithm for adaptable dynamic airspace configuration for NextGen

    Science.gov (United States)

    Savai, Mehernaz P.

    The National Airspace System (NAS) is a complicated large-scale aviation network, consisting of many static sectors wherein each sector is controlled by one or more controllers. The main purpose of the NAS is to enable safe and prompt air travel in the U.S. However, such static configuration of sectors will not be able to handle the continued growth of air travel which is projected to be more than double the current traffic by 2025. Under the initiative of the Next Generation of Air Transportation system (NextGen), the main objective of Adaptable Dynamic Airspace Configuration (ADAC) is that the sectors should change to the changing traffic so as to reduce the controller workload variance with time while increasing the throughput. Change in the resectorization should be such that there is a minimal increase in exchange of air traffic among controllers. The benefit of a new design (improvement in workload balance, etc.) should sufficiently exceed the transition cost, in order to deserve a change. This leads to the analysis of the concept of transition workload which is the cost associated with a transition from one sectorization to another. Given two airspace configurations, a transition workload metric which considers the air traffic as well as the geometry of the airspace is proposed. A solution to reduce this transition workload is also discussed. The algorithm is specifically designed to be implemented for the Dynamic Airspace Configuration (DAC) Algorithm. A graph model which accurately represents the air route structure and air traffic in the NAS is used to formulate the airspace configuration problem. In addition, a multilevel graph partitioning algorithm is developed for Dynamic Airspace Configuration which partitions the graph model of airspace with given user defined constraints and hence provides the user more flexibility and control over various partitions. In terms of air traffic management, vertices represent airports and waypoints. Some of the major

  14. State-specific Multi-reference Perturbation Theories with Relaxed Coefficients: Molecular Applications

    Directory of Open Access Journals (Sweden)

    Debashis Mukherjee

    2002-06-01

    Full Text Available Abstract: We present in this paper two new versions of Rayleigh-Schr¨odinger (RS and the Brillouin-Wigner (BW state-specific multi-reference perturbative theories (SSMRPT which stem from our state-specific multi-reference coupled-cluster formalism (SS-MRCC, developed with a complete active space (CAS. They are manifestly sizeextensive and are designed to avoid intruders. The combining coefficients cμ for the model functions φμ are completely relaxed and are obtained by diagonalizing an effective operator in the model space, one root of which is the target eigenvalue of interest. By invoking suitable partitioning of the hamiltonian, very convenient perturbative versions of the formalism in both the RS and the BW forms are developed for the second order energy. The unperturbed hamiltonians for these theories can be chosen to be of both Mφller-Plesset (MP and Epstein-Nesbet (EN type. However, we choose the corresponding Fock operator fμ for each model function φμ, whose diagonal elements are used to define the unperturbed hamiltonian in the MP partition. In the EN partition, we additionally include all the diagonal direct and exchange ladders. Our SS-MRPT thus utilizes a multi-partitioning strategy. Illustrative numerical applications are presented for potential energy surfaces (PES of the ground (1Σ+ and the first delta (1Δ states of CH+ which possess pronounced multi-reference character. Comparison of the results with the corresponding full CI values indicates the efficacy of our formalisms.

  15. Design of an Oximeter Based on LED-LED Configuration and FPGA Technology

    Directory of Open Access Journals (Sweden)

    Radovan Stojanovic

    2013-01-01

    Full Text Available A fully digital photoplethysmographic (PPG sensor and actuator has been developed. The sensing circuit uses one Light Emitting Diode (LED for emitting light into human tissue and one LED for detecting the reflectance light from human tissue. A Field Programmable Gate Array (FPGA is used to control the LEDs and determine the PPG and Blood Oxygen Saturation (SpO2. The configurations with two LEDs and four LEDs are developed for measuring PPG signal and Blood Oxygen Saturation (SpO2. N-LEDs configuration is proposed for multichannel SpO2 measurements. The approach resulted in better spectral sensitivity, increased and adjustable resolution, reduced noise, small size, low cost and low power consumption.

  16. Incremental deformation analysis of shell and corrugated diaphragm based on arbitrary configuration

    Institute of Scientific and Technical Information of China (English)

    Xuefeng He; Jue Zhang; Huijun Chen; Jing Fang

    2005-01-01

    With respect to an arbitrary configuration of a deformed structure, two sets of incremental equations are proposed for the deformation analysis of revolution shells and diaphragms loaded by both lateral pressures and the initial stresses produced in manufacturing. These general equations can be reduced to the simplified Koiter's Reissner-Meissner-Reissner (RMR) equations and the simplified Reissner's equations, when the initial stresses are set to zero.They can also be deduced to the total Lagrange form or the updated Lagrange form, respectively, as the structure is specified as the un-deformed or the former-deformed configurations. These incremental equations can be easily transformed into finite difference forms and solved by common numerical solvers of ordinary differential equations. Some numerical examples are presented to show the applications of the incremental equations to the deep shell of revolution and the corrugated diaphragms used in microelectronical mechanical system (MEMS). The results are in good agreement with those from finite element method (FEM).

  17. Observation of a $\\gamma$-band based on two-quasiparticle configuration in $^{70}$Ge

    CERN Document Server

    Raju, M Kumar; Muralithar, S; Singh, R P; Bhat, G H; Sheikh, J A; Tandel, S K; Sugathan, P; Reddy, T Seshi; Rao, B V Thirumala; Bhowmik, R K

    2016-01-01

    The structure of $^{70}$Ge has been studied through in-beam gamma ray spectroscopy. A new band structure is identified that leads to forking of the ground-state band into two excited bands. Band structures have been investigated using the microscopic triaxial projected shell model approach. The observed forking is demonstrated to result from almost simultaneous band crossing of the two neutron aligned and the \\gamma-band built on this two-quasiparticle configuration with the ground-state band.

  18. Spin contamination-free N-electron wave functions in the excitation-based configuration interaction treatment.

    Science.gov (United States)

    Alcoba, Diego R; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E; Oña, Ofelia B; Capuzzi, Pablo

    2016-07-07

    This work deals with the spin contamination in N-electron wave functions provided by the excitation-based configuration interaction methods. We propose a procedure to ensure a suitable selection of excited N-electron Slater determinants with respect to a given reference determinant, required in these schemes. The procedure guarantees the construction of N-electron wave functions which are eigenfunctions of the spin-squared operator Sˆ(2), avoiding any spin contamination. Our treatment is based on the evaluation of the excitation level of the determinants by means of the expectation value of an excitation operator formulated in terms of spin-free replacement operators. We report numerical determinations of energies and 〈Sˆ(2)〉 expectation values, arising from our proposal as well as from traditional configuration interaction methods, in selected open-shell systems, in order to compare the behavior of these procedures and their computational costs.

  19. An approach for configuring space photovoltaic tandem arrays based on cell layer performance

    Science.gov (United States)

    Flora, C. S.; Dillard, P. A.

    1991-01-01

    Meeting solar array performance goals of 300 W/Kg requires use of solar cells with orbital efficiencies greater than 20 percent. Only multijunction cells and cell layers operating in tandem produce this required efficiency. An approach for defining solar array design concepts that use tandem cell layers involve the following: transforming cell layer performance at standard test conditions to on-orbit performance; optimizing circuit configuration with tandem cell layers; evaluating circuit sensitivity to cell current mismatch; developing array electrical design around selected circuit; and predicting array orbital performance including seasonal variations.

  20. Graphene-based Q-switched pulsed fiber laser in a linear configuration

    Institute of Scientific and Technical Information of China (English)

    Y. K. Yap; Richard M. De La Rue; C. H. Pua; S. W. Harun; H. Ahmad

    2012-01-01

    A pulsed laser system is realized with graphene employed as a Q-switch.The graphene is exfoliated from its solution using an optical deposition and the optical tweezer effect.A fiber ferrule that already has the graphene deposited on it is inserted into an erbium-ytterbium laser (EYL) system with linear cavity configuration.We successfully demonstrate a pulsed EYL with a pulse duration of approximately 5.9 μs and a repetition rate of 20.0 kHz.

  1. A semi-automatic image-based close range 3D modeling pipeline using a multi-camera configuration.

    Science.gov (United States)

    Rau, Jiann-Yeou; Yeh, Po-Chia

    2012-01-01

    The generation of photo-realistic 3D models is an important task for digital recording of cultural heritage objects. This study proposes an image-based 3D modeling pipeline which takes advantage of a multi-camera configuration and multi-image matching technique that does not require any markers on or around the object. Multiple digital single lens reflex (DSLR) cameras are adopted and fixed with invariant relative orientations. Instead of photo-triangulation after image acquisition, calibration is performed to estimate the exterior orientation parameters of the multi-camera configuration which can be processed fully automatically using coded targets. The calibrated orientation parameters of all cameras are applied to images taken using the same camera configuration. This means that when performing multi-image matching for surface point cloud generation, the orientation parameters will remain the same as the calibrated results, even when the target has changed. Base on this invariant character, the whole 3D modeling pipeline can be performed completely automatically, once the whole system has been calibrated and the software was seamlessly integrated. Several experiments were conducted to prove the feasibility of the proposed system. Images observed include that of a human being, eight Buddhist statues, and a stone sculpture. The results for the stone sculpture, obtained with several multi-camera configurations were compared with a reference model acquired by an ATOS-I 2M active scanner. The best result has an absolute accuracy of 0.26 mm and a relative accuracy of 1:17,333. It demonstrates the feasibility of the proposed low-cost image-based 3D modeling pipeline and its applicability to a large quantity of antiques stored in a museum.

  2. A Semi-Automatic Image-Based Close Range 3D Modeling Pipeline Using a Multi-Camera Configuration

    Directory of Open Access Journals (Sweden)

    Po-Chia Yeh

    2012-08-01

    Full Text Available The generation of photo-realistic 3D models is an important task for digital recording of cultural heritage objects. This study proposes an image-based 3D modeling pipeline which takes advantage of a multi-camera configuration and multi-image matching technique that does not require any markers on or around the object. Multiple digital single lens reflex (DSLR cameras are adopted and fixed with invariant relative orientations. Instead of photo-triangulation after image acquisition, calibration is performed to estimate the exterior orientation parameters of the multi-camera configuration which can be processed fully automatically using coded targets. The calibrated orientation parameters of all cameras are applied to images taken using the same camera configuration. This means that when performing multi-image matching for surface point cloud generation, the orientation parameters will remain the same as the calibrated results, even when the target has changed. Base on this invariant character, the whole 3D modeling pipeline can be performed completely automatically, once the whole system has been calibrated and the software was seamlessly integrated. Several experiments were conducted to prove the feasibility of the proposed system. Images observed include that of a human being, eight Buddhist statues, and a stone sculpture. The results for the stone sculpture, obtained with several multi-camera configurations were compared with a reference model acquired by an ATOS-I 2M active scanner. The best result has an absolute accuracy of 0.26 mm and a relative accuracy of 1:17,333. It demonstrates the feasibility of the proposed low-cost image-based 3D modeling pipeline and its applicability to a large quantity of antiques stored in a museum.

  3. Energies and E1, M1, E2, and M2 transition rates for states of the 2s22p3, 2s2p4, and 2p5 configurations in nitrogen-like ions between F III and Kr XXX

    Science.gov (United States)

    Rynkun, P.; Jönsson, P.; Gaigalas, G.; Froese Fischer, C.

    2014-03-01

    Based on relativistic wavefunctions from multiconfiguration Dirac-Hartree-Fock and configuration interaction calculations, E1, M1, E2, and M2 transition rates, weighted oscillator strengths, and lifetimes are evaluated for the states of the (1s2)2s22p3,2s2p4, and 2p5 configurations in all nitrogen-like ions between F III and Kr XXX. The wavefunction expansions include valence, core-valence, and core-core correlation effects through single-double multireference expansions to increasing sets of active orbitals. The computed energies agree very well with experimental values, with differences of only 300-600 cm-1 for the majority of the levels and ions in the sequence. Computed transitions rates are in close agreement with available data from MCHF-BP calculations by Tachiev and Froese Fischer [G.I. Tachiev, C. Froese Fischer, A&A 385 (2002) 716].

  4. Multilevel Thermally Assisted Magnetoresistive Random-Access Memory Based on Exchange-Biased Vortex Configurations

    Science.gov (United States)

    de Araujo, C. I. L.; Alves, S. G.; Buda-Prejbeanu, L. D.; Dieny, B.

    2016-08-01

    A concept of multilevel thermally assisted magnetoresistive random-access memory is proposed and investigated by micromagnetic simulations. The storage cells are magnetic tunnel junctions in which the storage layer is exchange biased and in a vortex configuration. The reference layer is an unpinned soft magnetic layer. The stored information is encoded via the position of the vortex core in the storage layer. This position can be varied along two degrees of freedom: the radius and the in-plane angle. The information is read out from the amplitude and phase of the tunnel magnetoresistance signal obtained by applying a rotating field on the cell without heating the cell. Various configurations are compared in which the soft reference layer consists of either a simple ferromagnetic layer or a synthetic antiferromagnetic sandwich (SAF). Among those, the most practical one comprises a SAF reference layer in which the magnetostatic interaction between the SAF and storage layer is minimized. This type of cell should allow one to store at least 40 different states per cell representing more than five bits per cell.

  5. Combining structured and unstructured data in a configurable web-based logbook

    Energy Technology Data Exchange (ETDEWEB)

    Nogiec, J.; Trombly-Freytag, K.; /Fermilab

    2009-10-01

    A typical electronic logbook is designed as a general-purpose system for recording time-ordered events and actions and, therefore, allows for a great flexibility in recording information, but the data is unstructured. To better position it in a specific context (e.g., a, test facility, a group activity log) it needs to support both structured data (keyword, authors, etc) and unstructured data (text, title, attachments) in that context. To do this, a logbook system can define a set of attributes, possibly built as a hierarchy. These application-specific attributes will be associated with each entry. To be flexible, such a system has to be configurable to allow for tailoring it to each specific environment. The paper describes a design, functionality, and experiences with WebLog, a database-configurable electronic logbook developed with the J2EE Web technology. Various functional and technical properties of the system are discussed, including views, searches, threads of entries, an automated alerting system as well as integration with other applications.

  6. Absolute configurations of phytotoxic inuloxins B and C based on experimental and computational analysis of chiroptical properties.

    Science.gov (United States)

    Evidente, Marco; Santoro, Ernesto; Petrovic, Ana G; Cimmino, Alessio; Koshoubu, Jun; Evidente, Antonio; Berova, Nina; Superchi, Stefano

    2016-10-01

    The absolute configuration of phytotoxins inuloxins B and C, produced by Inula viscosa, and with potential herbicidal activity for the management of parasitic plants, has been determined by Time-dependent density functional theory computational prediction of electronic circular dichroism and optical rotatory dispersion spectra. The inuloxin B has been converted to its 5-O-acetyl derivative, which due to its more constrained conformational features facilitated the computational analysis of its chiroptical properties. The analysis based on experimental and computed data led to assignment of absolute configuration to naturally occurring (+)-inuloxin B and (-)-inuloxin C as (7R,8R,10S,11S) and (5S,7S,8S,10S), respectively.

  7. CONFIGURATION GENERATOR MODEL

    Energy Technology Data Exchange (ETDEWEB)

    A. Alsaed

    2004-11-18

    ''The Disposal Criticality Analysis Methodology Topical Report'' prescribes an approach to the methodology for performing postclosure criticality analyses within the monitored geologic repository at Yucca Mountain, Nevada. An essential component of the methodology is the ''Configuration Generator Model for In-Package Criticality'' that provides a tool to evaluate the probabilities of degraded configurations achieving a critical state. The configuration generator model is a risk-informed, performance-based process for evaluating the criticality potential of degraded configurations in the monitored geologic repository. The method uses event tree methods to define configuration classes derived from criticality scenarios and to identify configuration class characteristics (parameters, ranges, etc.). The probabilities of achieving the various configuration classes are derived in part from probability density functions for degradation parameters. The NRC has issued ''Safety Evaluation Report for Disposal Criticality Analysis Methodology Topical Report, Revision 0''. That report contained 28 open items that required resolution through additional documentation. Of the 28 open items, numbers 5, 6, 9, 10, 18, and 19 were concerned with a previously proposed software approach to the configuration generator methodology and, in particular, the k{sub eff} regression analysis associated with the methodology. However, the use of a k{sub eff} regression analysis is not part of the current configuration generator methodology and, thus, the referenced open items are no longer considered applicable and will not be further addressed.

  8. A new sensor-based self-configurable bandstop filter for reducing the energy leakage in industrial microwave ovens

    Science.gov (United States)

    Clemente-Fernández, F. J.; Monzó-Cabrera, J.; Pedreño-Molina, J. L.; Lozano-Guerrero, A. J.; Fayos-Fernández, J.; Díaz-Morcillo, A.

    2012-06-01

    In this work a new sensor-based self-configurable waveguide bandstop filter that uses a combination of metallic irises and reconfigurable posts for reducing the energy leakage in industrial microwave ovens is presented and validated through a procedure fully based on measurements. Several optimization and reconfiguration alternatives of the moving posts such as genetic algorithms and parametric sweeps are assessed. Results show that good attenuation values can be obtained for all the analyzed scenarios. In particular, genetic algorithms are shown as the best search strategy. Design and optimization times are also reduced when using the proposed filter compared to computer simulations.

  9. Auto-Mapping and Configuration Method of IEC 61850 Information Model Based on OPC UA

    Directory of Open Access Journals (Sweden)

    In-Jae Shin

    2016-11-01

    Full Text Available The open-platform communication (OPC unified architecture (UA (IEC62541 is introduced as a key technology for realizing a variety of smart grid (SG use cases enabling relevant automation and control tasks. The OPC UA can expand interoperability between power systems. The top-level SG management platform needs independent middleware to transparently manage the power information technology (IT systems, including the IEC 61850. To expand interoperability between the power system for a large number of stakeholders and various standards, this paper focuses on the IEC 61850 for the digital substation. In this paper, we propose the interconnection method to integrate communication with OPC UA and convert OPC UA AddressSpace using system configuration description language (SCL of IEC 61850. We implemented the mapping process for the verification of the interconnection method. The interconnection method in this paper can expand interoperability between power systems for OPC UA integration for various data structures in the smart grid.

  10. Two dimensional extensible array configuration for EMCCD-based solid state x-ray detectors

    Science.gov (United States)

    Sharma, P.; Swetadri Vasan, S. N.; Cartwright, A. N.; Titus, A. H.; Bednarek, D. R.; Rudin, S.

    2012-03-01

    We have designed and developed from the discrete component level a high resolution dynamic x-ray detector to be used for fluoroscopic and angiographic medical imaging. The heart of the detector is a 1024 ×1024 pixel electron multiplying charge coupled device (EMCCD) with a pixel size of 13 × 13 μm2 (Model CCD201-20, e2v Technologies, Inc.), bonded to a fiber optic plate (FOP), and optically coupled to a 350 μm thick micro-columnar CsI(TI) scintillator via a fiber optic taper (FOT). Our aim is to design an array of these detectors that could be extended to any arbitrary X × Y size in two dimensions to provide a larger field of view (FOV). A physical configuration for a 3×3 array is presented that includes two major sub-systems. First is an optical front end that includes (i) a phosphor to convert the x-ray photons into light photons, and (ii) a fused array of FOTs that focuses light photons from the phosphor onto an array of EMCCD's optically coupled using FOPs. Second is an electronic front end that includes (i) an FPGA board used for generating clocks and for data acquisition (ii) driver boards to drive and digitize the analog output from the EMCCDs, (iii) a power board, and (iv) headboards to hold the EMCCD's while they are connected to their respective driver board using flex cables. This configuration provides a larger FOV as well as region-of-interest (ROI) high-resolution imaging as required by modern neurovascular procedures.

  11. Two dimensional extensible array configuration for EMCCD-based solid state x-ray detectors.

    Science.gov (United States)

    Sharma, P; Vasan, S N Swetadri; Cartwright, A N; Titus, A H; Bednarek, D R; Rudin, S

    2012-01-01

    We have designed and developed from the discrete component level a high resolution dynamic x- ray detector to be used for fluoroscopic and angiographic medical imaging. The heart of the detector is a 1024 × 1024 pixel electron multiplying charge coupled device (EMCCD) with a pixel size of 13 × 13 μm(2) (Model CCD201-20, e2v Technologies, Inc.), bonded to a fiber optic plate (FOP), and optically coupled to a 350 μm thick micro-columnar CsI(TI) scintillator via a fiber optic taper (FOT). Our aim is to design an array of these detectors that could be extended to any arbitrary X × Y size in two dimensions to provide a larger field of view (FOV). A physical configuration for a 3×3 array is presented that includes two major sub-systems. First is an optical front end that includes (i) a phosphor to convert the x-ray photons into light photons, and (ii) a fused array of FOTs that focuses light photons from the phosphor onto an array of EMCCD's optically coupled using FOPs. Second is an electronic front end that includes (i) an FPGA board used for generating clocks and for data acquisition (ii) driver boards to drive and digitize the analog output from the EMCCDs, (iii) a power board, and (iv) headboards to hold the EMCCD's while they are connected to their respective driver board using flex cables. This configuration provides a larger FOV as well as region-of- interest (ROI) high-resolution imaging as required by modern neurovascular procedures.

  12. Hypertext Configurations

    DEFF Research Database (Denmark)

    Finnemann, Niels Ole

    2016-01-01

    , links, interactive processes, and time scalings, and that the hypertext configuration is a major but not sole source of the messiness of big data. The notion of hypertext will be revalidated, placed at the center of the interpretation of networked digital media, and used in the analysis of the fast...

  13. Algorithm for complete enumeration based on a stroke graph to solve the supply network configuration and operations scheduling problem

    Directory of Open Access Journals (Sweden)

    Julien Maheut

    2013-07-01

    Full Text Available Purpose: The purpose of this paper is to present an algorithm that solves the supply network configuration and operations scheduling problem in a mass customization company that faces alternative operations for one specific tool machine order in a multiplant context. Design/methodology/approach: To achieve this objective, the supply chain network configuration and operations scheduling problem is presented. A model based on stroke graphs allows the design of an algorithm that enumerates all the feasible solutions. The algorithm considers the arrival of a new customized order proposal which has to be inserted into a scheduled program. A selection function is then used to choose the solutions to be simulated in a specific simulation tool implemented in a Decision Support System. Findings and Originality/value: The algorithm itself proves efficient to find all feasible solutions when alternative operations must be considered. The stroke structure is successfully used to schedule operations when considering more than one manufacturing and supply option in each step. Research limitations/implications: This paper includes only the algorithm structure for a one-by-one, sequenced introduction of new products into the list of units to be manufactured. Therefore, the lotsizing process is done on a lot-per-lot basis. Moreover, the validation analysis is done through a case study and no generalization can be done without risk. Practical implications: The result of this research would help stakeholders to determine all the feasible and practical solutions for their problem. It would also allow to assessing the total costs and delivery times of each solution. Moreover, the Decision Support System proves useful to assess alternative solutions. Originality/value: This research offers a simple algorithm that helps solve the supply network configuration problem and, simultaneously, the scheduling problem by considering alternative operations. The proposed system

  14. Distance-Based Configurational Entropy of Proteins from Molecular Dynamics Simulations.

    Science.gov (United States)

    Fogolari, Federico; Corazza, Alessandra; Fortuna, Sara; Soler, Miguel Angel; VanSchouwen, Bryan; Brancolini, Giorgia; Corni, Stefano; Melacini, Giuseppe; Esposito, Gennaro

    2015-01-01

    Estimation of configurational entropy from molecular dynamics trajectories is a difficult task which is often performed using quasi-harmonic or histogram analysis. An entirely different approach, proposed recently, estimates local density distribution around each conformational sample by measuring the distance from its nearest neighbors. In this work we show this theoretically well grounded the method can be easily applied to estimate the entropy from conformational sampling. We consider a set of systems that are representative of important biomolecular processes. In particular: reference entropies for amino acids in unfolded proteins are obtained from a database of residues not participating in secondary structure elements;the conformational entropy of folding of β2-microglobulin is computed from molecular dynamics simulations using reference entropies for the unfolded state;backbone conformational entropy is computed from molecular dynamics simulations of four different states of the EPAC protein and compared with order parameters (often used as a measure of entropy);the conformational and rototranslational entropy of binding is computed from simulations of 20 tripeptides bound to the peptide binding protein OppA and of β2-microglobulin bound to a citrate coated gold surface. This work shows the potential of the method in the most representative biological processes involving proteins, and provides a valuable alternative, principally in the shown cases, where other approaches are problematic.

  15. Configurable Electronics with Low Noise and 14-bit Dynamic Range for Photodiode-based Photon Detectors

    CERN Document Server

    Müller, H; Yin, Z; Zhou, D; Cao, X; Li, Q; Liu, Y; Zou, F; Skaali, B; Awes, T C

    2006-01-01

    We describe the principles and measured performance characteristics of custom configurable 32-channel shaper/digitizer Front End Electronics (FEE) cards with 14-bit dynamic range for use with gain-adjustable photon detectors. The electronics has been designed for the PHOS calorimeter of ALICE with avalanche photodiode (APD) readout operated at -25 C ambient temperature and a signal shaping time of $1 {\\mu}s$. The electronics has also been adopted by the EMCal detector of ALICE with the same APD readout, but operated at an ambient temperature of +20 C and with a shaping time of 100ns. The CR-RC2 signal shapers on the FEE cards are implemented in discrete logic on a 10-layer board with two shaper sections for each input channel. The two shaper sections with gain ratio of 16:1 are digitized by 10-bit ADCs and provide an effective dynamic range of 14 bits. Gain adjustment for each individual APD is available through 32 bias voltage control registers of 10-bit range. The fixed gains and shaping times of the pole-z...

  16. Highly correlated configuration interaction calculations on water with large orbital bases

    Energy Technology Data Exchange (ETDEWEB)

    Almora-Díaz, César X., E-mail: xalmora@fisica.unam.mx [Instituto de Física, Universidad Nacional Autónoma de México, Apdo. Postal 20-364, México 01000, México (Mexico)

    2014-05-14

    A priori selected configuration interaction (SCI) with truncation energy error [C. F. Bunge, J. Chem. Phys. 125, 014107 (2006)] and CI by parts [C. F. Bunge and R. Carbó-Dorca, J. Chem. Phys. 125, 014108 (2006)] are used to approximate the total nonrelativistic electronic ground state energy of water at fixed experimental geometry with CI up to sextuple excitations. Correlation-consistent polarized core-valence basis sets (cc-pCVnZ) up to sextuple zeta and augmented correlation-consistent polarized core-valence basis sets (aug-cc-pCVnZ) up to quintuple zeta quality are employed. Truncation energy errors range between less than 1 μhartree, and 100 μhartree for the largest orbital set. Coupled cluster CCSD and CCSD(T) calculations are also obtained for comparison. Our best upper bound, −76.4343 hartree, obtained by SCI with up to sextuple excitations with a cc-pCV6Z basis recovers more than 98.8% of the correlation energy of the system, and it is only about 3 kcal/mol above the “experimental” value. Despite that the present energy upper bounds are far below all previous ones, comparatively large dispersion errors in the determination of the extrapolated energies to the complete basis set do not allow to determine a reliable estimation of the full CI energy with an accuracy better than 0.6 mhartree (0.4 kcal/mol)

  17. Hypertext Configurations

    DEFF Research Database (Denmark)

    Finnemann, Niels Ole

    2016-01-01

    , links, interactive processes, and time scalings, and that the hypertext configuration is a major but not sole source of the messiness of big data. The notion of hypertext will be revalidated, placed at the center of the interpretation of networked digital media, and used in the analysis of the fast......The article presents a conceptual framework for distinguishing different sorts of heterogeneous digital materials. The hypothesis is that a wide range of heterogeneous data resources can be characterized and classified due to their particular configurations of hypertext features such as scripts......-growing amounts of heterogeneous digital collections, assemblages, and corpora. The introduction summarizes the wider background of a fast-changing data landscape....

  18. The Auto control System Based on InTouch Configuration software for High-gravity Oil Railway Tank Feeding

    Directory of Open Access Journals (Sweden)

    Xu De-Kai

    2015-01-01

    Full Text Available This paper provides automatic design for high-gravity oil railway tank feeding system of some refinery uses distributive control system. The system adopts the automatic system of Modicon TSX Quantum or PLC as monitor and control level and uses a PC-based plat form as principal computer running on the Microsoft Windows2000. An automatic control system is developed in the environment of InTouch configuration software. This system implements automatic high-gravity oil tank feeding with pump controlling function. And it combines automatic oil feeding controlling, pump controlling and tank monitoring function to implement the automation of oil feeding with rations and automatic control.

  19. Digital Receiver-based Electronic Intelligence System Configuration for the Detection and Identification of Intrapulse Modulated Radar Signals

    Directory of Open Access Journals (Sweden)

    A. K. Singh

    2014-03-01

    Full Text Available An optimum electronic intelligence system configuration incorporating the state of the art technologies and achieving the highest parameter accuracies while processing the complex intrapulse modulated radar signals is presented in this paper. The system is based on the quad digital receiver, a state of the art single board solution for the detection and analysis of modern radar signals. The system consists of base line interferometry  configuration for high accuracy direction finding measurement with sector selection based on amplitude direction finding technique. Advanced signal processing algorithms with time frequency analysis are implemented in real time in field programmable gate array to extract all the basic as well as advanced parameters of frequency and phase modulations such as chirp, barker, and poly-phase (Frank, P1-P4 codes in addition to the pulse and continuous wave signals. The intercepted intrapulse modulated signal parameters have been extracted with very high accuracy and sensitivity.Defence Science Journal, 2014, 64(2, pp. 152-158. DOI: http://dx.doi.org/10.14429/dsj.64.5091

  20. Graphene-based supercapacitors in the parallel-plate electrode configuration: ionic liquids versus organic electrolytes.

    Science.gov (United States)

    Shim, Youngseon; Kim, Hyung J; Jung, Younjoon

    2012-01-01

    Supercapacitors with two single-sheet graphene electrodes in the parallel plate geometry are studied via molecular dynamics (MD) computer simulations. Pure 1-ethyl-3-methylimidazolium tetrafluoroborate (EMI+BF4-) and a 1.1 M solution of EMI+BF4- in acetonitrile are considered as prototypes of room-temperature ionic liquids (RTILs) and organic electrolytes. Electrolyte structure, charge density and associated electric potential are investigated by varying the charges and separation of the two electrodes. Multiple charge layers formed in the electrolytes in the vicinity of the electrodes are found to screen the electrode surface charge almost completely. As a result, the supercapacitors show nearly an ideal electric double layer behavior, i.e., the electric potential exhibits essentially a plateau behavior in the entire electrolyte region except for sharp changes in screening zones very close to the electrodes. Due to its small size and large charge separation, BF4- is considerably more efficient in shielding electrode charges than EMI+. In the case of the acetonitrile solution, acetonitrile also plays an important role by aligning its dipoles near the electrodes; however, the overall screening mainly arises from ions. Because of the disparity of shielding efficiency between cations and anions, the capacitance of the positively-charged anode is significantly larger than that of the negatively-charged cathode. Therefore, the total cell capacitance in the parallel plate configuration is primarily governed by the cathode. Ion conductivity obtained via the Green-Kubo (GK) method is found to be largely independent of the electrode surface charge. Interestingly, EMI+BF4- shows higher GK ion conductivity than the 1.1 M acetonitrile solution between two parallel plate electrodes.

  1. Extensive spin-orbit multi-reference computations on the excited states of the phosphorus monochloride molecule

    Science.gov (United States)

    Zhang, Xiaomei; Yan, Peiyuan; Li, Rui; Gai, Zhiqiang; Liang, Guiying; Xu, Haifeng; Yan, Bing

    2016-09-01

    Total 34 Λ-S states of the PCl molecule have been studied by using the multi-reference configuration interaction plus the Davidson correction (MRCI+Q) method with the correlation consistent quadruple-zeta quality basis set. These states are correlated to three dissociation limits P(4Su)+Cl(2Pu), P(2Du)+Cl(2Pu), and P(2Pu)+Cl(2Pu), respectively. The potential energy curves (PECs) of the Λ-S states have been calculated, from which the spectroscopic constants of the bound states are determined. The calculated spectroscopic results well reproduce the available measurements. The spin-orbit matrix elements between the Λ-S states have been calculated, which indicate that the perturbations exist in the interacting system 11Π-23Π and 11Π-23Σ-. And the excited a1Δ, b1Σ+, 21Σ+ states could be predissociated induced by the spin-orbit coupling (SOC) effect. The SOC calculation on the PCl molecule has been performed with the state interaction method. This is the first time that the SOC effect of the PCl has been studied theoretically. The SOC effect leads to the 34 Λ-S states split into the 74 Ω states. The ground state X3Σ- splits into the X3 Σ0-+ (X10+) and X3Σ1- (X21) states. For the zero-field splitting of the X3Σ- state, the spin-orbit contribution of 6 cm-1 is much larger than spin-spin contribution of 0.32 cm-1. Under the influence of the SOC effect, the spectroscopic results of the a1Δ and b1Σ+ states have very small changes, but the dissociation energies strongly decrease. The transition properties of PCl are also predicted, including the E1, M1, and E2 transition moments, the Franck-Condon factors, the transition probabilities, and the radiative lifetimes. For the transitions from a1Δ-X3Σ- and b1Σ+-X3Σ-, the transition probabilities are in order of AE1 > AM1 ≫ AE2. The lifetimes for the b1Σ+(v'=0) state are 4.87ms (E1) and 4.57 ms (E1+M1), in good agreement with the available experimental result of 4.9±0.8 ms.

  2. Stochastic multi-reference perturbation theory with application to linearized coupled cluster method

    CERN Document Server

    Jeanmairet, Guillaume; Alavi, Ali

    2016-01-01

    In this article we report a stochastic evaluation of the recently proposed LCC multireference perturbation theory [Sharma S., and Alavi A., J. Chem. Phys. 143, 102815, (2015)]. In this method both the zeroth order and first order wavefunctions are sampled stochastically by propagating simultaneously two populations of signed walkers. The sampling of the zeroth order wavefunction follows a set of stochastic processes identical to the one used in the FCIQMC method. To sample the first order wavefunction, the usual FCIQMC algorithm is augmented with a source term that spawns walkers in the sampled first order wavefunction from the zeroth order wavefunction. The second order energy is also computed stochastically but requires no additional overhead outside of the added cost of sampling the first order wavefunction. This fully stochastic method opens up the possibility of simultaneously treating large active spaces to account for static correlation and recovering the dynamical correlation using perturbation theory...

  3. reaxFF Reactive Force Field for Disulfide Mechanochemistry, Fitted to Multireference ab Initio Data.

    Science.gov (United States)

    Müller, Julian; Hartke, Bernd

    2016-08-09

    Mechanochemistry, in particular in the form of single-molecule atomic force microscopy experiments, is difficult to model theoretically, for two reasons: Covalent bond breaking is not captured accurately by single-determinant, single-reference quantum chemistry methods, and experimental times of milliseconds or longer are hard to simulate with any approach. Reactive force fields have the potential to alleviate both problems, as demonstrated in this work: Using nondeterministic global parameter optimization by evolutionary algorithms, we have fitted a reaxFF force field to high-level multireference ab initio data for disulfides. The resulting force field can be used to reliably model large, multifunctional mechanochemistry units with disulfide bonds as designed breaking points. Explorative calculations show that a significant part of the time scale gap between AFM experiments and dynamical simulations can be bridged with this approach.

  4. Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory

    Science.gov (United States)

    Yanai, Takeshi; Kurashige, Yuki; Neuscamman, Eric; Chan, Garnet Kin-Lic

    2010-01-01

    We describe the joint application of the density matrix renormalization group and canonical transformation theory to multireference quantum chemistry. The density matrix renormalization group provides the ability to describe static correlation in large active spaces, while the canonical transformation theory provides a high-order description of the dynamic correlation effects. We demonstrate the joint theory in two benchmark systems designed to test the dynamic and static correlation capabilities of the methods, namely, (i) total correlation energies in long polyenes and (ii) the isomerization curve of the [Cu2O2]2+ core. The largest complete active spaces and atomic orbital basis sets treated by the joint DMRG-CT theory in these systems correspond to a (24e,24o) active space and 268 atomic orbitals in the polyenes and a (28e,32o) active space and 278 atomic orbitals in [Cu2O2]2+.

  5. A time-dependent formulation of multi-reference perturbation theory.

    Science.gov (United States)

    Sokolov, Alexander Yu; Chan, Garnet Kin-Lic

    2016-02-14

    We discuss the time-dependent formulation of perturbation theory in the context of the interacting zeroth-order Hamiltonians that appear in multi-reference situations. As an example, we present a time-dependent formulation and implementation of second-order n-electron valence perturbation theory. The resulting time-dependent n-electron valence second-order perturbation theory (t-NEVPT2) method yields the fully uncontracted n-electron valence perturbation wavefunction and energy, but has a lower computational scaling than the usual contracted variants, and also avoids the construction of high-order density matrices and the diagonalization of metrics. We present results of t-NEVPT2 for the water, nitrogen, carbon, and chromium molecules and outline directions for the future.

  6. Multireference excitation energies for bacteriochlorophylls A within light harvesting system 2

    DEFF Research Database (Denmark)

    Anda, Andre; Hansen, Thorsten; De Vico, Luca

    2016-01-01

    of the excitation energy. Increasing the torsion of the acetyl moiety raises the excited state energy, resulting in a blue shift of the excitation energy. The obtained results mark a giant leap for multiconfigurational multireference quantum chemical methods in the photochemistry of biological systems, which can......Light-harvesting system 2 (LH2) of purple bacteria is one of the most popular antenna complexes used to study Nature's way of collecting and channeling solar energy. The dynamics of the absorbed energy is probed by ultrafast spectroscopy. Simulation of these experiments relies on fitting a range...... of parameters to reproduce the spectra. Here, we present a method that can determine key parameters to chemical accuracy. These will eliminate free variables in the modeling, thus reducing the problem. Using MS-RASPT2/RASSCF calculations, we compute excitation energies and transition dipole moments of all...

  7. A time-dependent formulation of multi-reference perturbation theory

    CERN Document Server

    Sokolov, Alexander Yu

    2016-01-01

    We discuss the time-dependent formulation of perturbation theory in the context of the interacting zeroth-order Hamiltonians that appear in multi-reference situations. As an example, we present a time-dependent formulation and implementation of second-order n-electron valence perturbation theory. The resulting t-NEVPT2 method yields the fully uncontracted n-electron valence perturbation wavefunction and energy, but has a lower computational scaling than the usual contracted variants, and also avoids the construction of high-order density matrices and the diagonalization of metrics. We present results of t-NEVPT2 for the water, nitrogen, carbon, and chromium molecules, and outline directions for the future.

  8. Spectrum synthesis for a spectrally tunable light source based on a DMD-convex grating Offner configuration

    Science.gov (United States)

    Ma, Suodong; Pan, Qiao; Shen, Weimin

    2016-09-01

    As one kind of light source simulation devices, spectrally tunable light sources are able to generate specific spectral shape and radiant intensity outputs according to different application requirements, which have urgent demands in many fields of the national economy and the national defense industry. Compared with the LED-type spectrally tunable light source, the one based on a DMD-convex grating Offner configuration has advantages of high spectral resolution, strong digital controllability, high spectrum synthesis accuracy, etc. As a key link of the above type light source to achieve target spectrum outputs, spectrum synthesis algorithm based on spectrum matching is therefore very important. An improved spectrum synthesis algorithm based on linear least square initialization and Levenberg-Marquardt iterative optimization is proposed in this paper on the basis of in-depth study of the spectrum matching principle. The effectiveness of the proposed method is verified by a series of simulations and experimental works.

  9. Multireference - Møller-Plesset Perturbation Theory Results on Levels and Transition Rates in Al-like Ions of Iron Group Elements

    Energy Technology Data Exchange (ETDEWEB)

    Santana, J A; Ishikawa, Y; Tr�abert, E

    2009-02-26

    Ground configuration and low-lying levels of Al-like ions contribute to a variety of laboratory and solar spectra, but the available information in databases are neither complete not necessarily correct. We have performed multireference Moeller-Plesset perturbation theory calculations that approach spectroscopic accuracy in order to check the information that databases hold on the 40 lowest levels of Al-Like ions of iron group elements (K through Ge), and to provide input for the interpretation of concurrent experiments. Our results indicate problems of the database holdings on the levels of the lowest quartet levels in the lighter elements of the range studied. The results of our calculations of the decay rates of five long-lived levels (3s{sup 2}3p {sup 2}p{sup o}{sub 3/2}, 3s3p{sup 2} {sup 4}P{sup o} J and 3s3p3d {sup 4}F{sup o}{sub 9/2}) are compared with lifetime data from beam-foil, electron beam ion trap and heavy-ion storage ring experiments.

  10. Numerical study of base pressure characteristic curve for a four-engine clustered nozzle configuration

    Science.gov (United States)

    Wang, Ten-See

    1993-07-01

    Excessive base heating has been a problem for many launch vehicles. For certain designs such as the direct dump of turbine exhaust in the nozzle section and at the nozzle lip of the Space Transportation Systems Engine (STME), the potential burning of the turbine exhaust in the base region has caused tremendous concern. Two conventional approaches have been considered for predicting the base environment: (1) empirical approach, and (2) experimental approach. The empirical approach uses a combination of data correlations and semi-theoretical calculations. It works best for linear problems, simple physics and geometry. However, it is highly suspicious when complex geometry and flow physics are involved, especially when the subject is out of historical database. The experimental approach is often used to establish database for engineering analysis. However, it is qualitative at best for base flow problems. Other criticisms include the inability to simulate forebody boundary layer correctly, the interference effect from tunnel walls, and the inability to scale all pertinent parameters. Furthermore, there is a contention that the information extrapolated from subscale tests with combustion is not conservative. One potential alternative to the conventional methods is computational fluid dynamics (CFD), which has none of the above restrictions and is becoming more feasible due to maturing algorithms and advancing computer technology. It provides more details of the flowfield and is only limited by computer resources. However, it has its share of criticisms as a predictive tool for base environment. One major concern is that CFD has not been extensively tested for base flow problems. It is therefore imperative that CFD be assessed and benchmarked satisfactorily for base flows. In this study, the turbulent base flowfield of a experimental investigation for a four-engine clustered nozzle is numerically benchmarked using a pressure based CFD method. Since the cold air was the

  11. [Under what conditions does G.C Watson-Crick DNA base pair acquire all four configurations characteristic for A.T Watson-Crick DNA base pair?].

    Science.gov (United States)

    Brovarets', O O

    2013-01-01

    At the MP2/6-311++G(2df,pd)//B3LYP/6-311++G(d,p) level of theory it was established for the first time, that the Löwdin's G*.C* DNA base pair formed by the mutagenic tautomers can acquire, as the A-T Watson-Crick DNA base pair, four biologically important configurations, namely: Watson-Crick, reverse Watson-Crick, Hoogsteen and reverse Hoogsteen. This fact demonstrates rather unexpected role of the tautomerisation of the one of the Watson-Crick DNA base pairs, in particular, via double proton transfer: exactly the G.C-->G*.C* tautomerisation allows to overcome steric hindrances for the implementation of the above mentioned configurations. Geometric, electron-topological and energetic properties of the H-bonds that stabilise the studied pairs, as well as the energetic characteristics of the latters are presented.

  12. A Fuzzy-Based Approach for Sensing, Coding and Transmission Configuration of Visual Sensors in Smart City Applications.

    Science.gov (United States)

    Costa, Daniel G; Collotta, Mario; Pau, Giovanni; Duran-Faundez, Cristian

    2017-01-05

    The advance of technologies in several areas has allowed the development of smart city applications, which can improve the way of life in modern cities. When employing visual sensors in that scenario, still images and video streams may be retrieved from monitored areas, potentially providing valuable data for many applications. Actually, visual sensor networks may need to be highly dynamic, reflecting the changing of parameters in smart cities. In this context, characteristics of visual sensors and conditions of the monitored environment, as well as the status of other concurrent monitoring systems, may affect how visual sensors collect, encode and transmit information. This paper proposes a fuzzy-based approach to dynamically configure the way visual sensors will operate concerning sensing, coding and transmission patterns, exploiting different types of reference parameters. This innovative approach can be considered as the basis for multi-systems smart city applications based on visual monitoring, potentially bringing significant results for this research field.

  13. Physico-chemical and membrane-interacting properties of D-xylose-based bolaforms. Influence of the anomeric configuration.

    Directory of Open Access Journals (Sweden)

    Nasir M. N.

    2013-08-01

    Full Text Available Sugar-based biosurfactants such as xylose-derived bolaforms have interesting properties, for example high biocompatibility and biodegradability which make them potential useful molecules in the pharmaceutical and cosmetic fields. Until now, no detailed analyses of the physico-chemical properties of these compounds have been undertaken. Two symmetrical D-xylose-based bolaforms were chemically synthesized where the two xylose heads are linked via an acetal link to a hydrocarbon chain containing 18 carbon atoms and an unsaturation. The two bolaforms differ only by their anomeric configuration: αα or ββ. The αα bolaform exhibits interfacial properties at the air-water interface which is not the case for the ββ. FTIR spectroscopy showed that the interactions between the αα bolaform and POPC, a model phospholipid, involve the carbonyl groups of the phospholipid. .

  14. Laterally configured resistive switching device based on transition-metal nano-gap electrode on Gd oxide

    Energy Technology Data Exchange (ETDEWEB)

    Kawakita, Masatoshi; Okabe, Kyota [Department of Physics, Kyushu University, 6-10-1 Hakozaki, Fukuoka 812-8581 (Japan); Kimura, Takashi [Department of Physics, Kyushu University, 6-10-1 Hakozaki, Fukuoka 812-8581 (Japan); Research Center for Quantum Nano-Spin Sciences, Kyushu University, 6-10-1 Hakozaki, Fukuoka 812-8581 (Japan)

    2016-01-11

    We have developed a fabrication process for a laterally configured resistive switching device based on a Gd oxide. A nano-gap electrode connected by a Gd oxide with the ideal interfaces has been created by adapting the electro-migration method in a metal/GdO{sub x} bilayer system. Bipolar set and reset operations have been clearly observed in the Pt/GdO{sub x} system similarly in the vertical device based on GdO{sub x}. Interestingly, we were able to observe a clear bipolar switching also in a ferromagnetic CoFeB nano-gap electrode with better stability compared to the Pt/GdO{sub x} device. The superior performance of the CoFeB/GdO{sub x} device implies the importance of the spin on the resistive switching.

  15. A digital X-ray imaging system based on silicon strip detectors working in edge-on configuration

    Energy Technology Data Exchange (ETDEWEB)

    Bolanos, L. [CEADEN, Calle 30 502 e/ 5ta y 7ma Avenida, Playa, Ciudad Habana (Cuba); Boscardin, M. [IRST, Fondazione Bruno Kessler, Via Sommarive 18, Povo, 38100 Trento (Italy); Cabal, A.E. [CEADEN, Calle 30 502 e/ 5ta y 7ma Avenida, Playa, Ciudad Habana (Cuba); Diaz, M. [InSTEC, Ave. Salvador Allende esq. Luaces, Quinta de los Molinos, Ciudad Habana (Cuba); Grybos, P.; Maj, P. [Faculty of Electrical Engineering, Automatics, Computer Science and Electronics, Department of Measurement and Instrumentation, AGH University of Science and Technology, Al. Mickiewicza 30, 30-059 Cracow (Poland); Prino, F. [Istituto Nazionale di Fisica Nucleare, Sezione di Torino, Via P. Giuria 1, 10125 Torino (Italy); Ramello, L. [Dipartimento di Scienze e Tecnologie Avanzate, Universita del Piemonte Orientale, Via T. Michel 11, 15100 Alessandria (Italy)], E-mail: luciano.ramello@mfn.unipmn.it; Szczygiel, R. [Faculty of Electrical Engineering, Automatics, Computer Science and Electronics, Department of Measurement and Instrumentation, AGH University of Science and Technology, Al. Mickiewicza 30, 30-059 Cracow (Poland)

    2009-09-21

    We present the energy resolution and imaging performance of a digital X-ray imaging system based on a 512-strip silicon strip detector (SSD) working in the edge-on configuration. The SSDs tested in the system are 300 {mu}m thick with 1 or 2-cm-long strips and 100 {mu}m pitch. To ensure a very small dead area of the SSD working in edge-on configuration, the detector is cut perpendicular to the strips at a distance of only 20 {mu}m from the end of the strips. The 512-strip silicon detector is read out by eight 64-channel integrated circuits called DEDIX [Grybos et al., IEEE Trans. Nucl. Sci. NS-54 (2007) 1207]. The DEDIX IC operates in a single photon counting mode with two independent amplitude discriminators per channel. The readout electronic channel connected to a detector with effective input capacitance of about 2 pF has an average equivalent noise charge (ENC) of about 163 el. rms and is able to count 1 Mcps of average rate of input pulses. The system consisting of 512 channels has an excellent channel-to-channel uniformity-the effective threshold spread calculated to the charge-sensitive amplifier inputs is 12 el. rms (at one sigma level). With this system a few test images of a phantom have been taken in the 10-30 keV energy range.

  16. Regional scale analysis of landform configuration with base-level (isobase maps

    Directory of Open Access Journals (Sweden)

    C. H. Grohmann

    2011-05-01

    Full Text Available Base-level maps (or "isobase maps", as originally defined by Filosofov, 1960, express a relationship between valley order and topography. The base-level map can be seen as a "simplified" version of the original topographic surface, from which the "noise" of the low-order stream erosion was removed. This method is able to identify areas with possible tectonic influence even within lithologically uniform domains. Base-level maps have been recently applied in semi-detail scale (e.g., 1:50 000 or larger morphotectonic analysis. In this paper, we present an evaluation of the method's applicability in regional-scale analysis (e.g., 1:250 000 or smaller. A test area was selected in northern Brazil, at the lower course of the Araguaia and Tocantins rivers. The drainage network extracted from SRTM30_PLUS DEMs with spatial resolution of approximately 900 m was visually compared with available topographic maps and considered to be compatible with a 1:1,000 000 scale. Regarding the interpretation of regional-scale morphostructures, the map constructed with 2nd and 3rd-order valleys was considered to present the best results. Some of the interpreted base-level anomalies correspond to important shear zones and geological contacts present in the 1:5 000 000 Geological Map of South America. Others have no correspondence with mapped Precambrian structures and are considered to represent younger, probably neotectonic, features. A strong E-W orientation of the base-level lines over the inflexion of the Araguaia and Tocantins rivers, suggest a major drainage capture. A N-S topographic swath profile over the Tocantins and Araguaia rivers reveals a topographic pattern which, allied with seismic data showing a roughly N-S direction of extension in the area, lead us to interpret this lineament as an E-W, southward-dipping normal fault. There is also a good visual correspondence between the base-level lineaments and geophysical anomalies. A NW-SE lineament in the

  17. Firewall Configuration Errors Revisited

    CERN Document Server

    Wool, Avishai

    2009-01-01

    The first quantitative evaluation of the quality of corporate firewall configurations appeared in 2004, based on Check Point FireWall-1 rule-sets. In general that survey indicated that corporate firewalls were often enforcing poorly written rule-sets, containing many mistakes. The goal of this work is to revisit the first survey. The current study is much larger. Moreover, for the first time, the study includes configurations from two major vendors. The study also introduce a novel "Firewall Complexity" (FC) measure, that applies to both types of firewalls. The findings of the current study indeed validate the 2004 study's main observations: firewalls are (still) poorly configured, and a rule-set's complexity is (still) positively correlated with the number of detected risk items. Thus we can conclude that, for well-configured firewalls, ``small is (still) beautiful''. However, unlike the 2004 study, we see no significant indication that later software versions have fewer errors (for both vendors).

  18. Configurable adaptive optical system for imaging of ground-based targets from space

    Science.gov (United States)

    McComas, Brian K.; Friedman, Edward J.; Hooker, R. Brian; Cermak, Michael A.

    2003-03-01

    Space-based, high resolution, Earth remote sensing systems, that employ large, flexible, lightweight primary mirrors, will require active wavefront correction, in the form of active and adaptive optics, to correct for thermally and vibrationally induced deformations in the optics. These remote sensing systems typically have a large field-of-view. Unlike the adaptive optics on ground-based astronomical telescopes, which have a negligible field-of-view, the adaptive optics on these space-based remote sensing systems will be required to correct the wavefront over the entire field-of-view, which can be several degrees. The error functions for astronomical adaptive optics have been developed for the narrow field-of-view correction of atmospheric turbulence and do not address the needs of wide field space-based systems. To address these needs, a new wide field adaptive optics theory and a new error function are developed. Modeling and experimental results demonstrate the validity of the wide field adaptive optics theory and new error function. This new error function, which is a new extension of conventional adaptive optics, lead to the development of three new types of imaging systems: wide field-of-view, selectable field-of-view, and steerable field-of-view. These new systems can have nearly diffraction-limited performance across the entire field-of-view or a narrow movable region of high-resolution imaging. The factors limiting system performance will be shown. The range of applicability of the wide field adaptive optics theory is shown. The range of applicability is used to avoid limitations in system performance and to estimate the optical systems parameters, which will meet the system"s performance requirements.

  19. Parallel, Gradient-Based Anisotropic Mesh Adaptation for Re-entry Vehicle Configurations

    Science.gov (United States)

    Bibb, Karen L.; Gnoffo, Peter A.; Park, Michael A.; Jones, William T.

    2006-01-01

    Two gradient-based adaptation methodologies have been implemented into the Fun3d refine GridEx infrastructure. A spring-analogy adaptation which provides for nodal movement to cluster mesh nodes in the vicinity of strong shocks has been extended for general use within Fun3d, and is demonstrated for a 70 sphere cone at Mach 2. A more general feature-based adaptation metric has been developed for use with the adaptation mechanics available in Fun3d, and is applicable to any unstructured, tetrahedral, flow solver. The basic functionality of general adaptation is explored through a case of flow over the forebody of a 70 sphere cone at Mach 6. A practical application of Mach 10 flow over an Apollo capsule, computed with the Felisa flow solver, is given to compare the adaptive mesh refinement with uniform mesh refinement. The examples of the paper demonstrate that the gradient-based adaptation capability as implemented can give an improvement in solution quality.

  20. Modeling of Thin Film Solar Photovoltaic Based on Zno/Sns Oxide-Absorber Substrate Configuration

    Directory of Open Access Journals (Sweden)

    Anupam Verma

    2014-06-01

    Full Text Available Due to increasing awareness for using clean energy and therefore greater demand for relying more on the renewable sources which solar photovoltaic are part of because they pose very little or no threat to the environment comparatively, there is growing pressure for reducing electricity generation costs from solar photovoltaic (PV modules. Hence there is need for alternative new light absorbing materials that can provide conversion efficiencies which would be comparable to the current technologies based on crystalline silicon and CdTe or CIGS thin films at lower manufacturing costs and therefore providing cost effective solutions. In this paper we have evaluated the tin based absorber material (based on tin monosulfide; SnS as the next generation of Photovoltaic cells that can provide the desired performance in the long term. Therefore it explores the potential use of tin mono-sulfide as photovoltaic material for conversion of light into electricity. Zinc Oxide (ZnO thin films have been recognized as good candidates in photovoltaic devices acting as wide-band gap window layer. The results are presented through the numerical analysis done by AMPD-1D simulator tool to explore the possibility of using thin film and stable ZnO/SnS solar photovoltaic device with aim to achieve comparable conversion efficiencies.

  1. [Structural and energetic properties of the four configurations of the A.T and G.C DNA base pairs].

    Science.gov (United States)

    Brovarets', O O

    2013-01-01

    Using the methods of non-empirical quantum chemistry at the MP2/6-311++G(2df,pd)// B3LYP/6-311++G(d,p) level of theory it was established for the first time, that Hoogsteen, reverse Hoogsteen, Watson-Crick and reverse Watson-Crick configurations of the A.T and G.C DNA base pairs are isoelectronic and isomorphic structures with similar dynamic properties. Based on these results, non-ionisation mechanism of the Hoogsteen <"breathing" of the G*.C* DNA base pair, namely transformation of the tautomerised (Lowdin's) G-C base pair with Watson-Crick geometry into the Hoogsteen electroneutral G*.C* H base pair stabilized by the three O6H...N4, N3H...N7 and C8H...02 H-bonds, was postulated. It is suggested that such scenario activates only in those cases, when DNA is not located in aqueous solution, but works together with proteins and cytosine protonation at the N3 atom is precluded.

  2. The Resource Configuration Method with Lower Energy Consumption Based on Prediction in Cloud Data Center

    Directory of Open Access Journals (Sweden)

    Quan Liang

    2014-07-01

    Full Text Available The cloud computing data center have numerous hosts as well as application requests. In future, the short response time and user Qos are required, and the lower electricity power consumption to build the low-carbon green network is an irrevocable trend. The paper first puts forward a reconfiguration framework based on the request prediction of Double Exponential Smoothing, On the basis, work out in advance the allocation scheme which can improve the resource utilization ratio as well as lower energy consumption. The paper also present a concept of Utility Ratio Matrix (URM to represent allocations of hosts and Virtual Machines (VMs and a reconfiguration algorithm. The algorithm can separate the reconfiguration computing from the real allocation so that it can avoid a time delay, and can also reduce the energy consumption in data center. The corresponding analysis and experimental results show the feasibility of the reconfiguration algorithm in this paper.

  3. Network Entropy Based on Topology Configuration and Its Computation to Random Networks

    Institute of Scientific and Technical Information of China (English)

    LI Ji; WANG Bing-Hong; WANG Wen-Xu; ZHOU Tao

    2008-01-01

    A definition of network entropy is presented, and as an example, the relationship between the value of network entropy of ER network model and the connect probability p as well as the total nodes N is discussed. The theoretical result and the simulation result based on the network entropy of the ER network are in agreement well with each other. The result indicated that different from the other network entropy reported before, the network entropy defined here has an obvious difference from different type of random networks or networks having different total nodes. Thus, this network entropy may portray the characters of complex networks better. It is also pointed out that, with the aid of network entropy defined, the concept of equilibrium networks and the concept of non-equilibrium networks may be introduced, and a quantitative measurement to describe the deviation to equilibrium state of a complex network is carried out.

  4. MOSFET-based high voltage double square-wave pulse generator with an inductive adder configuration

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Xin [State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Xi' an 710049 (China); Zhang, Qiaogen, E-mail: hvzhang@mail.xjtu.edu.cn [State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Xi' an 710049 (China); Long, Jinghua [College of Physics, Shenzhen University, Shenzhen 518060 (China); Lei, Yunfei; Liu, Jinyuan [Institute of Optoelectronics, Shenzhen University, Shenzhen 518060 (China)

    2015-09-01

    This paper presents a fast MOSFET-based solid-state pulse generator for high voltage double square-wave pulses. The generator consists mainly of an inductive adder system stacked of 20 solid-state modules. Each of the modules has 18 power MOSFETs in parallel, which are triggered by individual drive circuits; these drive circuits themselves are synchronously triggered by a signal from avalanche transistors. Our experiments demonstrate that the output pulses with amplitude of 8.1 kV and peak current of about 405 A are available at a load impedance of 20 Ω. The pulse has a double square-wave form with a rise and fall time of 40 ns and 26 ns, respectively and bottom flatness better than 12%. The interval time of the double square-wave pulses can be adjustable by varying the interval time of the trigger pulses.

  5. Modeling-based optimization study for an EDXRD system in a portable configuration

    Energy Technology Data Exchange (ETDEWEB)

    Peterzol, Angela, E-mail: angela_peterzol@yahoo.it [CNDRI (Nondestructive Testing using Ionizing Radiation) Laboratory, INSA-Lyon, 69621 Villeurbanne (France); Duvauchelle, Philippe; Kaftandjian, Valerie [CNDRI (Nondestructive Testing using Ionizing Radiation) Laboratory, INSA-Lyon, 69621 Villeurbanne (France); Ponard, Pascal [THALES Components and Subsystems, 2 rue Marcel Dassault 78941 Velizy cedex (France)

    2011-10-21

    Energy-Dispersive X-ray Diffraction (EDXRD) is well suited for the detection of narcotics and a wide range of explosives. This technique, combined with the dual-energy tomosynthesis, has been used for verification of a novel portable imaging system, the aim of which is characterization of dangerous/illicit materials inside objects. We present the design methodology and optimization study using EDXRD modality. In order to evaluate the experimental conditions best suited for system purposes, kinematic theory of diffraction has been exploited to model the height and shape of diffraction patterns. From the simulation-based analysis a diffraction angle of 2.75{sup o}{+-}0.10{sup o} and an X-ray tube voltage {<=}160 kV have been selected.

  6. Linux中基于Apache个人网站的配置%Configuration of Personal Web Site Based on Apache for Linux

    Institute of Scientific and Technical Information of China (English)

    弋改珍

    2012-01-01

    WWW是Internet上最热门的服务之一,已经成为人们在网络上查找、浏览信息的重要手段.根据WWW的工作原理,阐述了 Linux中基于Apache软件配置个人网站的步骤,总结了配置过程中出现的问题以及解决方案,并使用html文档进行了测试.%WWW is one of the hottest services on Internet. It has become the important method of the finding, browsing the information. According to the principle of www, the paper has stated the configuration steps of the personal web site based on Apache for Linux, The appearance problem and solution are concluded. And last, the tests are run using html document.

  7. Multistrip synthetic single-crystal-diamond photodiode based on a p-type/intrinsic/Schottky metal transverse configuration

    Science.gov (United States)

    Ciancaglioni, I.; Marinelli, Marco; Milani, E.; Prestopino, G.; Verona, C.; Verona-Rinati, G.; Angelone, M.; Pillon, M.; Dolbnya, I.; Sawhney, K.; Tartoni, N.

    2011-04-01

    A synthetic multistrip single-crystal-diamond detector based on a p-type/intrinsic diamond/Schottky metal transverse configuration, operating at zero-bias voltage, was developed. The device was characterized at the Diamond Light Source synchrotron in Harwell (UK) under monochromatic high-flux X-ray beams from 6 to 20 keV and a micro-focused 10 keV beam with a spot size of ~3 μm. No significant pixel-to-pixel variation of both spectral responsivity and time response, high spatial resolution and good signal uniformity along each strip were found, suggesting the tested device structure as a promising sensor for X-ray and UV radiation imaging.

  8. Homogeneous DNA Detection Based on Fluorescence Quenching by Nanoparticles in Single-step Format :Target-Induced Configuration Transform

    Institute of Scientific and Technical Information of China (English)

    ZHANG,Songbai; WU,Zaisheng; XIE,Ming; SHEN,Guoli; YU,Ruqin

    2009-01-01

    A new strategy for homogeneous detection of DNA hybridization in single-step format was developed based on fluorescence quenching by gold nanoparticles.The gold nanoparticle is functionalized with 5'-thiolated 48-base oligonucleotide(probe sequence),whose 3'-terminus is labeled with fluorescein(FAM),a negatively charged fluo-rescencc dye.The oligonucleotide adopts all extended configuration due to the electrostatic repulsion between nega-tively charged gold nanoparticle and the FAM-attached probe sequence.After addition of the complementary target sequence,specific DNA hybridization induces a conformation change of the probe from an extended stmcture to an arch.1ike configuration,which brings the fluorophore and the gold nanoparticle in close proximity.The fluorescence is efficiently quenched by gold nanoparticles.The fluorescence quenching efficiency is related to the target concen.tration,which allows the quantitative detection for target sequence in a sample.A linear detection range from 1.6 to 209.4 nmoI/L Was obtained under the optimized experimental conditions with a detection limit of 0.1 nmol,L.In the assay system,the gold nanoparticles act as both nanoscaffolds and nanoquenchers.Furthermore,the proposed strategy.in which only two DNA sequences arc involved,is not only different from the traditional molecular bea-cons or reverse molecular beacons but also different from the commonly used sandwich hybridization methods.In addition,the DNA hybridization detection was achieved in homogenous solution in a single-step format,which al-lows real.time detection and quantification with other advantages such as easy operation and elimination of washing steps.

  9. Bighorns Arch Seismic Experiment (BASE): Amplitude Response to Different Seismic Charge Configurations

    Energy Technology Data Exchange (ETDEWEB)

    Harder, S. H., Killer, K. C., Worthington, L. L., Snelson, C. M.

    2010-09-02

    Contrary to popular belief, charge weight is not the most important engineering parameter determining the seismic amplitudes generated by a shot. The scientific literature has long claimed that the relationship, A ~R2L1/2, where A is the seismic amplitude generated by a shot, R is the radius of the seismic charge and L is the length of that charge, holds. Assuming the coupling to the formation and the pressure generated by the explosive are constants, this relationship implies that the one should be able to increase the charge radius while decreasing the charge length and obtain more seismic amplitude with less charge weight. This has significant implications for the economics of lithospheric seismic shots, because shallower holes and small charge sizes decrease cost. During the Bighorns Array Seismic Experiment (BASE) conducted in the summer of 2010, 24 shots with charge sizes ranging from 110 to 900 kg and drill hole diameters of 300 and 450 mm were detonated and recorded by an array of up to 2000 single-channel Texan seismographs. Maximum source-receiver offset of 300 km. Five of these shots were located within a one-acre square in an effort to eliminate coupling effects due to differing geological formations. We present a quantitative comparison of the data from these five shots to experimentally test the equation above.

  10. Force-based optimization of pseudopotentials for non-equilibrium configurations

    Science.gov (United States)

    Brock, Casey N.; Paikoff, Brandon C.; Md Sallih, Muhammad I.; Tackett, Alan R.; Walker, D. Greg

    2016-04-01

    We have used a multi-objective genetic algorithm to optimize pseudopotentials for force accuracy and computational efficiency. Force accuracy is determined by comparing interatomic forces generated using the pseudopotentials and forces generated using the full-potential linearized augmented-plane wave method. This force-based optimization approach is motivated by applications where interatomic forces are important, including material interfaces, crystal defects, and molecular dynamics. Our method generates Pareto sets of optimized pseudopotentials containing various compromises between accuracy and efficiency. We have tested our method for LiF, Si0.5Ge0.5, and Mo and compared the performance of our pseudopotentials with pseudopotentials available from the ABINIT library. We show that the optimization can generate pseudopotentials with comparable accuracy (in terms of force matching and equation of state) to pseudopotentials in the literature while sometimes significantly improving computational efficiency. For example, we generated pseudopotentials for one system tested that reduced computational work by 71% without loss of accuracy. These results suggest our method can be used to generate pseudopotentials on demand that are tuned for a user's specific application, affording gains in computational efficiency.

  11. Fiber optic sensor based on reflectivity configurations to detect heart rate

    Science.gov (United States)

    Yunianto, M.; Marzuki, A.; Riyatun, R.; Lestari, D.

    2016-11-01

    Research of optical fiber-based heart rate detection sensor has been conducted using the reflection configurationon the thorax motion modified. Optical fiber used in this research was Plastic Optical Fiber (POF) with a diameter of 0.5. Optical fiber system is made with two pieces of fiber, the first fiber is to serve as a transmitter transmitting light from the source to the reflector membrane, the second fiber serves as a receiver. One of the endsfrom the two fibersis pressed and positioned perpendicular of reflector membrane which is placed on the surface of the chest. The sensor works on the principle of intensity changes captured by the receiver fiber when the reflector membrane gets the vibe from the heart. The light source used is in the form of Light Emitting Diode (LED) and Light Dependent Resistor (LDR) as a light sensor. Variations are performed on the reflector membrane diameter. The light intensity received by the detector increases along with the increasing width of the reflector membrane diameter. The results show that this sensor can detect the harmonic peak at a frequency of 1.5 Hz; 7.5 Hz; 10.5 Hz; and 22.5 Hz in a healthy human heart with an average value of Beat Per Minute (BPM) by 78 times, a prototype sensor that is made can work and function properly.

  12. Neutron Imager and Flux Monitor Based on Micro Channel Plates (MCP) in Electrostatic Mirror Configuration

    Science.gov (United States)

    Variale, V.

    In this paper, a new high transparency device based on MCP for the monitoring the flux and spatial profile of a neutron beam will be described. The assembly consists of a carbon foil with a 6Li deposit, placed in the beam, and a MCP equipped with a phosphor screen readout viewed by a CCD camera, placed outside the beam. Secondary emitted electrons (SEE) produced in the carbon foil by the alpha-particles and tritons from the 6Li+n reaction, are deflected to the MCP detector by means of an electrostatic mirror, suitably designed to preserve the spatial resolution. The conductive layer on the phosphor can be used for neutron counting, and to obtain time-of-flight information. A peculiar feature of this device is that the use of an electrostatic mirror minimizes the perturbation of the neutron beam, i.e. absorption and scattering. It can be used at existing time-of-flight (TOF) facilities, in particular at the n_TOF facility at CERN, for monitoring the flux and special profile of the neutron beam in the thermal and epithermal region. In this work, the device principle and design will be presented, together with the main features in terms of resolution and neutron detection efficiency.

  13. Higher-order molecular properties and excitation energies in single-reference and multireference coupled-cluster theory

    OpenAIRE

    Jagau, Thomas-Christian

    2012-01-01

    Coupled-cluster (CC) theory is one of the most successful approaches in high-accuracy quantum chemistry. The present thesis makes a number of contributions to the determination of molecular properties and excitation energies within the CC framework. The multireference CC (MRCC) method proposed by Mukherjee and coworkers (Mk-MRCC) has been benchmarked within the singles and doubles approximation (Mk-MRCCSD) for molecular equilibrium structures. It is demonstrated that Mk-MRCCSD yields reliable...

  14. 基于本体和规则的产品配置系统研究%Research on product configuration system based on ontology and rules

    Institute of Scientific and Technical Information of China (English)

    孙伟; 马沁怡; 高天一; 袁长峰

    2011-01-01

    Product configuration is an effective measure to realize product development quickly and provide the customized service for customers. Knowledge acquisition, representation and reasoning are critical techniques for configuration. An integrated approach based on ontology and rules is proposed to solve the problem raised in the product configuration. Firstly, configuration knowledge type is analyzed, and the acquirement method of product configuration rules is studied based on rough set (RS). Then, configuration models are formalized using OWL, and configuration rules are represented in SWRL, for knowledge sharing. Lastly, actual processes of configuration reasoning are carried out using JESS. A prototype system of elevator configuration design is developed to verify the proposed approach.%产品配置是实现产品快速定制和提供个性化服务的一种有效手段,而配置知识的获取、表达和推理是实现产品配置的关键.在分析当前配置设计中存在问题的基础上,提出了一个基于本体和规则的产品配置设计解决方案.首先分析了配置设计中不同的知识类型,提出了一种基于粗集的规则获取方法;然后采用OWL/SWRL对产品配置本体和配置规则进行知识表达;最后以JESS为推理引擎实现了配置知识的推理.通过电梯配置设计原型系统的开发与应用,进一步说明了该方法的可行性.

  15. Focal plane wavefront sensor achromatization: The multireference self-coherent camera

    Science.gov (United States)

    Delorme, J. R.; Galicher, R.; Baudoz, P.; Rousset, G.; Mazoyer, J.; Dupuis, O.

    2016-04-01

    Context. High contrast imaging and spectroscopy provide unique constraints for exoplanet formation models as well as for planetary atmosphere models. But this can be challenging because of the planet-to-star small angular separation (105). Recently, optimized instruments like VLT/SPHERE and Gemini/GPI were installed on 8m-class telescopes. These will probe young gazeous exoplanets at large separations (≳1 au) but, because of uncalibrated phase and amplitude aberrations that induce speckles in the coronagraphic images, they are not able to detect older and fainter planets. Aims: There are always aberrations that are slowly evolving in time. They create quasi-static speckles that cannot be calibrated a posteriori with sufficient accuracy. An active correction of these speckles is thus needed to reach very high contrast levels (>106-107). This requires a focal plane wavefront sensor. Our team proposed a self coherent camera, the performance of which was demonstrated in the laboratory. As for all focal plane wavefront sensors, these are sensitive to chromatism and we propose an upgrade that mitigates the chromatism effects. Methods: First, we recall the principle of the self-coherent camera and we explain its limitations in polychromatic light. Then, we present and numerically study two upgrades to mitigate chromatism effects: the optical path difference method and the multireference self-coherent camera. Finally, we present laboratory tests of the latter solution. Results: We demonstrate in the laboratory that the multireference self-coherent camera can be used as a focal plane wavefront sensor in polychromatic light using an 80 nm bandwidth at 640 nm (bandwidth of 12.5%). We reach a performance that is close to the chromatic limitations of our bench: 1σ contrast of 4.5 × 10-8 between 5 and 17 λ0/D. Conclusions: The performance of the MRSCC is promising for future high-contrast imaging instruments that aim to actively minimize the speckle intensity so as to

  16. 基于构件配置的SCM研究%Investigation on Supply Chain Management Based on Component Configuration

    Institute of Scientific and Technical Information of China (English)

    张洁; 陈淮莉; 马登哲

    2004-01-01

    From supply-push mode to demand-pull mode, SCM systems will face four main points: (1) real time visibility that covers the whole supply chain, (2) agility for choice of supply and source, (3) response to diverse customer demands and short delivery deadlines, and (4) rapid occurrence of new products following the market trends and new designs. Component-based SCM has become a hot spot in research areas. A multi-layer framework is set up, including a database server layer, an application server layer, a kernel component layer and a user interface layer. Some function components are designed, which are optimal planning arithmetic components, controller components and evaluation indexes components, in order to suit both discrete and continuous manufacturing. This paper studies a three-dimensional SCM configuration method based on the types of enterprise, manufacturing and products, provides powerful tools for SCM system implementations, and adopts an object-oriented technology to construct component-based distributed information system to assure right time, right materials, right place, right quantity and right customers.

  17. Multireference Excitation Energies for Bacteriochlorophylls A within Light Harvesting System 2.

    Science.gov (United States)

    Anda, André; Hansen, Thorsten; De Vico, Luca

    2016-03-08

    Light-harvesting system 2 (LH2) of purple bacteria is one of the most popular antenna complexes used to study Nature's way of collecting and channeling solar energy. The dynamics of the absorbed energy is probed by ultrafast spectroscopy. Simulation of these experiments relies on fitting a range of parameters to reproduce the spectra. Here, we present a method that can determine key parameters to chemical accuracy. These will eliminate free variables in the modeling, thus reducing the problem. Using MS-RASPT2/RASSCF calculations, we compute excitation energies and transition dipole moments of all bacteriochlorophylls in LH2. We find that the excitation energies vary among the bacteriochlorophyll monomers and that they are regulated by the curvature of the macrocycle ring and the dihedral angle of an acetyl moiety. Increasing the curvature lifts the ground state energy, which causes a red shift of the excitation energy. Increasing the torsion of the acetyl moiety raises the excited state energy, resulting in a blue shift of the excitation energy. The obtained results mark a giant leap for multiconfigurational multireference quantum chemical methods in the photochemistry of biological systems, which can prove instrumental in exposing the underlying physics of photosynthetic light-harvesting.

  18. Relativistic Multireference Quantum Chemical Study of the Electronic Structure of Actinide Trioxide Molecules.

    Science.gov (United States)

    Kovács, Attila

    2017-03-17

    Actinide trioxide (AnO3, An = U, Np, Pu, Am, Cm) molecules have been investigated by relativistic multireference quantum chemical calculations with the goal to elucidate their electronic structures. The molecular geometries of the ground and selected excited electronic states have been optimized at the spin-orbit-free complete active space second-order perturbation theory (SF-CASPT2) level. The low-lying vertical excitation states have been computed and characterized by CASPT2 calculations taking into account spin-orbit coupling. The reason for the considerable lengthening of the equatorial An-O bond in AmO3 and CmO3 with respect to the other trioxides has been analyzed on the basis of valence molecular orbitals of the SF ground electronic states. For the bond in question a singly occupied π orbital has been identified, this orbital is doubly occupied in the other (An = U, Np, Pu) trioxides. The clarified electronic structures of the investigated AnO3 molecules confirmed the pentavalent character of Am and Cm in their trioxides in contrast to the hexavalent character of U, Np, and Pu.

  19. Perturbative universal state-selective correction for state-specific multi-reference coupled cluster methods

    Science.gov (United States)

    Brabec, Jiri; Banik, Subrata; Kowalski, Karol; Pittner, Jiří

    2016-10-01

    In this work, we report an extension of our previous development of the universal state-selective (USS) multireference coupled-cluster (MRCC) formalism. It was shown [Brabec et al., J. Chem. Phys. 136, 124102 (2012)] and [Banik et al., J. Chem. Phys. 142, 114106 (2015)] that the USS(2) approach significantly improves the accuracy of Brillouin-Wigner and Mukherjee MRCC formulations, however, the numerical and storage costs associated with calculating highly excited intermediates pose a significant challenge, which can restrict the applicability of the USS(2) method. Therefore, we introduce a perturbative variant of the USS(2) approach (USS(pt)), which substantially reduces numerical overhead of the full USS(2) correction while preserving its accuracy. Since the new USS(pt) implementation calculates the triple and quadruple projections in on-the-fly manner, the memory bottleneck associated with the need of storing expensive recursive intermediates is entirely eliminated. On the example of several benchmark systems, we demonstrate accuracies of USS(pt) and USS(2) approaches and their efficiency in describing quasidegenerate electronic states. It is also shown that the USS(pt) method significantly alleviates problems associated with the lack of invariance of MRCC theories upon the rotation of active orbitals.

  20. Remarkable reduction in the threshold voltage of pentacene-based thin film transistors with pentacene/CuPc sandwich configuration

    Directory of Open Access Journals (Sweden)

    Yi Li

    2014-06-01

    Full Text Available This study investigates the remarkable reduction in the threshold voltage (VT of pentacene-based thin film transistors with pentacene/copper phthalocyanine (CuPc sandwich configuration. This reduction is accompanied by increased mobility and lowered sub-threshold slope (S. Sandwich devices coated with a 5 nm layer of CuPc layer are compared with conventional top-contact devices, and results indicate that VT decreased significantly from −20.4 V to −0.2 V, that mobility increased from 0.18 cm2/Vs to 0.51 cm2/Vs, and that S was reduced from 4.1 V/dec to 2.9 V/dec. However, the on/off current ratio remains at 105. This enhanced performance could be attributed to the reduction in charge trap density by the incorporated CuPc layer. Results suggest that this method is simple and effectively generates pentacene-based organic thin film transistors with high mobility and low VT.

  1. INFLUENCE OF RIVER BED ELEVATION SURVEY CONFIGURATIONS AND INTERPOLATION METHODS ON THE ACCURACY OF LIDAR DTM-BASED RIVER FLOW SIMULATIONS

    Directory of Open Access Journals (Sweden)

    J. R. Santillan

    2016-09-01

    Full Text Available In this paper, we investigated how survey configuration and the type of interpolation method can affect the accuracy of river flow simulations that utilize LIDAR DTM integrated with interpolated river bed as its main source of topographic information. Aside from determining the accuracy of the individually-generated river bed topographies, we also assessed the overall accuracy of the river flow simulations in terms of maximum flood depth and extent. Four survey configurations consisting of river bed elevation data points arranged as cross-section (XS, zig-zag (ZZ, river banks-centerline (RBCL, and river banks-centerline-zig-zag (RBCLZZ, and two interpolation methods (Inverse Distance-Weighted and Ordinary Kriging were considered. Major results show that the choice of survey configuration, rather than the interpolation method, has significant effect on the accuracy of interpolated river bed surfaces, and subsequently on the accuracy of river flow simulations. The RMSEs of the interpolated surfaces and the model results vary from one configuration to another, and depends on how each configuration evenly collects river bed elevation data points. The large RMSEs for the RBCL configuration and the low RMSEs for the XS configuration confirm that as the data points become evenly spaced and cover more portions of the river, the resulting interpolated surface and the river flow simulation where it was used also become more accurate. The XS configuration with Ordinary Kriging (OK as interpolation method provided the best river bed interpolation and river flow simulation results. The RBCL configuration, regardless of the interpolation algorithm used, resulted to least accurate river bed surfaces and simulation results. Based on the accuracy analysis, the use of XS configuration to collect river bed data points and applying the OK method to interpolate the river bed topography are the best methods to use to produce satisfactory river flow simulation outputs

  2. Influence of River Bed Elevation Survey Configurations and Interpolation Methods on the Accuracy of LIDAR Dtm-Based River Flow Simulations

    Science.gov (United States)

    Santillan, J. R.; Serviano, J. L.; Makinano-Santillan, M.; Marqueso, J. T.

    2016-09-01

    In this paper, we investigated how survey configuration and the type of interpolation method can affect the accuracy of river flow simulations that utilize LIDAR DTM integrated with interpolated river bed as its main source of topographic information. Aside from determining the accuracy of the individually-generated river bed topographies, we also assessed the overall accuracy of the river flow simulations in terms of maximum flood depth and extent. Four survey configurations consisting of river bed elevation data points arranged as cross-section (XS), zig-zag (ZZ), river banks-centerline (RBCL), and river banks-centerline-zig-zag (RBCLZZ), and two interpolation methods (Inverse Distance-Weighted and Ordinary Kriging) were considered. Major results show that the choice of survey configuration, rather than the interpolation method, has significant effect on the accuracy of interpolated river bed surfaces, and subsequently on the accuracy of river flow simulations. The RMSEs of the interpolated surfaces and the model results vary from one configuration to another, and depends on how each configuration evenly collects river bed elevation data points. The large RMSEs for the RBCL configuration and the low RMSEs for the XS configuration confirm that as the data points become evenly spaced and cover more portions of the river, the resulting interpolated surface and the river flow simulation where it was used also become more accurate. The XS configuration with Ordinary Kriging (OK) as interpolation method provided the best river bed interpolation and river flow simulation results. The RBCL configuration, regardless of the interpolation algorithm used, resulted to least accurate river bed surfaces and simulation results. Based on the accuracy analysis, the use of XS configuration to collect river bed data points and applying the OK method to interpolate the river bed topography are the best methods to use to produce satisfactory river flow simulation outputs. The use of

  3. Application of Configurators in Networks

    DEFF Research Database (Denmark)

    Malis, Martin; Hvam, Lars

    2003-01-01

    Shorter lead-time, improved quality of product specifications and better communication with customers and suppliers are benefits derived from the application of configurators. Configurators are knowledge-based IT-systems that can be applied to deal with product knowledge and to support different...... processes in a company. Traditionally, configurators have been used as an internal tool. In this paper focus will be on the application of configurators in a network of companies, and a procedure for developing product configurators in a network of companies will be presented. The aim is to present...... a structured guideline, tools and methods on how to successfully develop configurators in a network perspective. Findings presented in this paper are supported by research in a case company. The results from the empirical work show a huge potential for the application of configurators in networks of companies....

  4. Non-orthogonal configuration interaction for the calculation of multielectron excited states

    Science.gov (United States)

    Sundstrom, Eric J.; Head-Gordon, Martin

    2014-03-01

    We apply Non-orthogonal Configuration Interaction (NOCI) to molecular systems where multielectron excitations, in this case double excitations, play a substantial role: the linear polyenes and β-carotene. We demonstrate that NOCI when applied to systems with extended conjugation, provides a qualitatively correct wavefunction at a fraction of the cost of many other multireference treatments. We also present a new extension to this method allowing for purification of higher-order spin states by utilizing Generalized Hartree-Fock Slater determinants and the details for computing ⟨S2⟩ for the ground and excited states.

  5. Non-orthogonal configuration interaction for the calculation of multielectron excited states

    Energy Technology Data Exchange (ETDEWEB)

    Sundstrom, Eric J., E-mail: eric.jon.sundstrom@berkeley.edu; Head-Gordon, Martin [Department of Chemistry, University of California Berkeley, Berkeley, California 94720, USA and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2014-03-21

    We apply Non-orthogonal Configuration Interaction (NOCI) to molecular systems where multielectron excitations, in this case double excitations, play a substantial role: the linear polyenes and β-carotene. We demonstrate that NOCI when applied to systems with extended conjugation, provides a qualitatively correct wavefunction at a fraction of the cost of many other multireference treatments. We also present a new extension to this method allowing for purification of higher-order spin states by utilizing Generalized Hartree-Fock Slater determinants and the details for computing 〈S{sup 2}〉 for the ground and excited states.

  6. Design of HART Configuration Software Based on Windows%基于Windows的HART组态软件设计

    Institute of Scientific and Technical Information of China (English)

    张夏; 魏文雄; 余淼; 郭江伟

    2012-01-01

    针对PC在Windows操作系统下实时性差和状态机功能不易实现的问题,根据PC自带的性能计数器,构造一个高精度、低开销的定时器,其计数精度可以达到毫秒级以下.采用AES算法对HART控制命令进行加密保护,实验结果证明,HART组态软件具有较好的实时性和安全性,适用于工业控制的现场数据通信.%Under the circumstances of the Windows operating system of personal computer, the function of state machine is not easy to realize. Based on PC's own performance counters, this paper presents a method to make a high-precision and low-overhead timer, which satisfies the strict demands for real time of HART control software. Meanwhile, AES algorithm is applied to protect the HART control commands. Experimental result shows that the HART configuration software has a high degree of real-time and safety, which provides a solution to the data communication in industrial control field.

  7. A compact diode-pumped pulsed Nd:YAG slab laser based on a master oscillator power amplifier configuration

    Science.gov (United States)

    Maleki, A.; Kavosh Tehrani, M.; Saghafifar, H.; Moghtader Dindarlu, M. H.; Ebadian, H.

    2016-02-01

    In this paper, the design and construction of a pulsed Nd:YAG laser is described. The structure of this laser is based on a master oscillator power amplifier system. A master oscillator is an electro-optical Q-switched Nd:YAG rod laser. Face-pumping is used for the excitation of the slab structure, and a double-pass method is designed for the amplification stages. Two Nd:YAG zigzag slabs are utilized as power amplification stages in this laser. The laser diodes are stacked in a compact configuration and are used for rod and slabs pumping. The total pump energy in the amplifier stages is 3200 mJ at 808 nm. The output pulse energy achieved at 1064 nm is about 850 mJ of 10 ns pulse duration corresponding to 26.5% optical-to-optical conversion efficiency. Moreover, this laser can generate pulse energies around 430 mJ at 532 nm. The dependence of the output energy of MOPA and second harmonic generation operations on different pulse repetition rates (PRRs) from 1 to 100 Hz has been investigated. Experimental results show that the maximum fluctuations of the output energies are about 2.5 and 4% for 1064 and 532 nm, respectively.

  8. Structure of human Eg5 in complex with a new monastrol-based inhibitor bound in the R configuration.

    Science.gov (United States)

    Garcia-Saez, Isabel; DeBonis, Salvatore; Lopez, Roman; Trucco, Fernando; Rousseau, Bernard; Thuéry, Pierre; Kozielski, Frank

    2007-03-30

    Drugs that target mitotic spindle proteins have been proven useful for tackling tumor growth. Eg5, a kinesin-5 family member, represents a potential target, since its inhibition leads to prolonged mitotic arrest through the activation of the mitotic checkpoint and apoptotic cell death. Monastrol, a specific dihydropyrimidine inhibitor of Eg5, shows stereo-specificity, since predominantly the (S)-, but not the (R)-, enantiomer has been shown to be the biologically active compound in vitro and in cell-based assays. Here, we solved the crystal structure (2.7A) of the complex between human Eg5 and a new keto derivative of monastrol (named mon-97), a potent antimitotic inhibitor. Surprisingly, we identified the (R)-enantiomer bound in the active site, and not, as for monastrol, the (S)-enantiomer. The absolute configuration of this more active (R)-enantiomer has been unambiguously determined via chemical correlation and x-ray analysis. Unexpectedly, both the R- and the S-forms inhibit Eg5 ATPase activity with IC(50) values of 110 and 520 nM (basal assays) and 150 nm and 650 nm (microtubule-stimulated assays), respectively. However, the difference was large enough for the protein to select the (R)- over the (S)-enantiomer. Taken together, these results show that in this new monastrol family, both (R)- and (S)-enantiomers can be active as Eg5 inhibitors. This considerably broadens the alternatives for rational drug design.

  9. Large-scale parallel configuration interaction. I. Nonrelativistic and scalar-relativistic general active space implementation with application to (Rb-Ba)+.

    Science.gov (United States)

    Knecht, Stefan; Jensen, Hans Jorgen Aa; Fleig, Timo

    2008-01-07

    We present a parallel implementation of a string-driven general active space configuration interaction program for nonrelativistic and scalar-relativistic electronic-structure calculations. The code has been modularly incorporated in the DIRAC quantum chemistry program package. The implementation is based on the message passing interface and a distributed data model in order to efficiently exploit key features of various modern computer architectures. We exemplify the nearly linear scalability of our parallel code in large-scale multireference configuration interaction (MRCI) calculations, and we discuss the parallel speedup with respect to machine-dependent aspects. The largest sample MRCI calculation includes 1.5x10(9) Slater determinants. Using the new code we determine for the first time the full short-range electronic potentials and spectroscopic constants for the ground state and for eight low-lying excited states of the weakly bound molecular system (Rb-Ba)+ with the spin-orbit-free Dirac formalism and using extensive uncontracted basis sets. The time required to compute to full convergence these electronic states for (Rb-Ba)+ in a single-point MRCI calculation correlating 18 electrons and using 16 cores was reduced from more than 10 days to less than 1 day.

  10. Visualisation de la base de données de configuration de l'expérience LHCb

    CERN Document Server

    Belballi, W

    2007-01-01

    The world's largest proton collider, LHC (Large Hadron Collider), is currently build in the European Organization for Nuclear Research (CERN) located on the French-Swiss border. The LHC is scheduled to begin operation in May 2008 and will be one of the most complex scientific instruments ever built. Configuring all the modules of the experiment is a complex task because of the huge network of devices and the big number on technologies involved. That's why configuration databases are used to store and organise the informations needed to well configure the system. My contribution was to improve an editor of the configuration database of the LHCb wich is one the four experiments taking place at CERN. This editor is called CDBVis and my work consist on porting the software written in Python to use the Qt library instead of the wxWidget one. I also made many enhancements to this software.

  11. ZEUS-DO: A Design Oriented CFD-Based Unsteady Aerodynamic Capability for Flight Vehicle Multidisciplinary Configuration Shape Optimization Project

    Data.gov (United States)

    National Aeronautics and Space Administration — In practically all air-vehicle MDO studies to date involving configuration shape optimization, dynamic Aeroservoelastic constraints had to be left out. Flutter, gust...

  12. A conceptual configuration of the lunar base bioregenerative life support system including soil-like substrate for growing plants

    Science.gov (United States)

    Liu, H.; Yu, C. Y.; Manukovsky, N. S.; Kovalev, V. S.; Gurevich, Yu L.; Wang, J.

    2008-09-01

    The paper presents a conceptual configuration of the lunar base bioregenerative life support system (LBLSS), including soil-like substrate (SLS) for growing plants. SLS makes it possible to combine the processes of plant growth and the utilization of plant waste. Plants are to be grown on SLS on the basis of 20 kg of dry SLS mass or 100 kg of wet SLS mass per square meter. The substrate is to be delivered to the base ready-made as part of the plant growth subsystem. Food for the crew was provided by prestored stock 24% and by plant growing system 76%. Total dry weight of the food is 631 g per day (2800 kcal/day) for one crew member (CM). The list of candidate plants to be grown under lunar BLSS conditions included 14 species: wheat, rice, soybean, peanuts, sweet pepper, carrots, tomatoes, coriander, cole, lettuce, radish, squash, onion and garlic. From the prestored stock the crew consumed canned fish, iodinated salt, sugar, beef sauce and seafood sauce. Our calculations show that to provide one CM with plant food requires the area of 47.5 m 2. The balance of substance is achieved by the removal dehydrated urine 59 g, feces 31 g, food waste 50 g, SLS 134 g, and also waters 86 g from system and introduction food 236 g, liquid potassium soap 4 g and mineral salts 120 g into system daily. To reduce system setup time the first plants could be sowed and germinated to a certain age on the Earth.

  13. Optimum electrode configuration selection for electrical resistance change based damage detection in composites using an effective independence measure

    Science.gov (United States)

    Escalona, Luis; Díaz-Montiel, Paulina; Venkataraman, Satchi

    2016-04-01

    Laminated carbon fiber reinforced polymer (CFRP) composite materials are increasingly used in aerospace structures due to their superior mechanical properties and reduced weight. Assessing the health and integrity of these structures requires non-destructive evaluation (NDE) techniques to detect and measure interlaminar delamination and intralaminar matrix cracking damage. The electrical resistance change (ERC) based NDE technique uses the inherent changes in conductive properties of the composite to characterize internal damage. Several works that have explored the ERC technique have been limited to thin cross-ply laminates with simple linear or circular electrode arrangements. This paper investigates a method of optimum selection of electrode configurations for delamination detection in thick cross-ply laminates using ERC. Inverse identification of damage requires numerical optimization of the measured response with a model predicted response. Here, the electrical voltage field in the CFRP composite laminate is calculated using finite element analysis (FEA) models for different specified delamination size and locations, and location of ground and current electrodes. Reducing the number of sensor locations and measurements is needed to reduce hardware requirements, and computational effort needed for inverse identification. This paper explores the use of effective independence (EI) measure originally proposed for sensor location optimization in experimental vibration modal analysis. The EI measure is used for selecting the minimum set of resistance measurements among all possible combinations of selecting a pair of electrodes among the n electrodes. To enable use of EI to ERC required, it is proposed in this research a singular value decomposition SVD to obtain a spectral representation of the resistance measurements in the laminate. The effectiveness of EI measure in eliminating redundant electrode pairs is demonstrated by performing inverse identification of

  14. Aircraft Configuration and Flight Crew Compliance with Procedures While Conducting Flight Deck Based Interval Management (FIM) Operations

    Science.gov (United States)

    Shay, Rick; Swieringa, Kurt A.; Baxley, Brian T.

    2012-01-01

    Flight deck based Interval Management (FIM) applications using ADS-B are being developed to improve both the safety and capacity of the National Airspace System (NAS). FIM is expected to improve the safety and efficiency of the NAS by giving pilots the technology and procedures to precisely achieve an interval behind the preceding aircraft by a specific point. Concurrently but independently, Optimized Profile Descents (OPD) are being developed to help reduce fuel consumption and noise, however, the range of speeds available when flying an OPD results in a decrease in the delivery precision of aircraft to the runway. This requires the addition of a spacing buffer between aircraft, reducing system throughput. FIM addresses this problem by providing pilots with speed guidance to achieve a precise interval behind another aircraft, even while flying optimized descents. The Interval Management with Spacing to Parallel Dependent Runways (IMSPiDR) human-in-the-loop experiment employed 24 commercial pilots to explore the use of FIM equipment to conduct spacing operations behind two aircraft arriving to parallel runways, while flying an OPD during high-density operations. This paper describes the impact of variations in pilot operations; in particular configuring the aircraft, their compliance with FIM operating procedures, and their response to changes of the FIM speed. An example of the displayed FIM speeds used incorrectly by a pilot is also discussed. Finally, this paper examines the relationship between achieving airline operational goals for individual aircraft and the need for ATC to deliver aircraft to the runway with greater precision. The results show that aircraft can fly an OPD and conduct FIM operations to dependent parallel runways, enabling operational goals to be achieved efficiently while maintaining system throughput.

  15. Adapting algebraic diagrammatic construction schemes for the polarization propagator to problems with multi-reference electronic ground states exploiting the spin-flip ansatz

    Science.gov (United States)

    Lefrancois, Daniel; Wormit, Michael; Dreuw, Andreas

    2015-09-01

    For the investigation of molecular systems with electronic ground states exhibiting multi-reference character, a spin-flip (SF) version of the algebraic diagrammatic construction (ADC) scheme for the polarization propagator up to third order perturbation theory (SF-ADC(3)) is derived via the intermediate state representation and implemented into our existing ADC computer program adcman. The accuracy of these new SF-ADC(n) approaches is tested on typical situations, in which the ground state acquires multi-reference character, like bond breaking of H2 and HF, the torsional motion of ethylene, and the excited states of rectangular and square-planar cyclobutadiene. Overall, the results of SF-ADC(n) reveal an accurate description of these systems in comparison with standard multi-reference methods. Thus, the spin-flip versions of ADC are easy-to-use methods for the calculation of "few-reference" systems, which possess a stable single-reference triplet ground state.

  16. Detailed requirements document for Stowage List and Hardware Tracking System (SLAHTS). [computer based information management system in support of space shuttle orbiter stowage configuration

    Science.gov (United States)

    Keltner, D. J.

    1975-01-01

    The stowage list and hardware tracking system, a computer based information management system, used in support of the space shuttle orbiter stowage configuration and the Johnson Space Center hardware tracking is described. The input, processing, and output requirements that serve as a baseline for system development are defined.

  17. Theoretical study on the size consistency of the second and third order energies of the multireference perturbation theory

    Institute of Scientific and Technical Information of China (English)

    CHEN FeiWu

    2007-01-01

    The size consistency of the second and third order energies of the multireference perturbation theory (Chen F, Davidson E, Iwata S. Int J Quant Chem, 2002, 86: 256) is investigated theoretically with a super-molecular model composed of N-hydrogen molecules separated by a large distance. It is found that the two perturbation series corresponding to two Hamiltonian partitions are not size consistent at the second and third order. However, two size consistent forms are suggested for two Hamiltonian partitions at the second order, if some approximations to the denominators of the original second order energies are assumed.

  18. Theoretical study on the size consistency of the second and third order energies of the multireference perturbation theory

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The size consistency of the second and third order energies of the multireference perturbation theory(Chen F, Davidson E, Iwata S. Int J Quant Chem, 2002, 86: 256) is investigated theoretically with a su-per-molecular model composed of N-hydrogen molecules separated by a large distance. It is found that the two perturbation series corresponding to two Hamiltonian partitions are not size consistent at the second and third order. However, two size consistent forms are suggested for two Hamiltonian parti-tions at the second order, if some approximations to the denominators of the original second order energies are assumed.

  19. Heisenberg model and Rigged Configurations

    CERN Document Server

    Giri, Pulak Ranjan

    2015-01-01

    We show a correspondence of all the solutions of the spin-1/2 isotropic Heisenberg model for N=12 to the rigged configurations based on the comparison of the set of Takahashi quantum numbers in lexicographical order with the set of riggings of the rigged configurations in co-lexicographical order.

  20. 基于CMMI的配置管理系统设计与实现%Design and Implementation of a Configuration Management System Based on CMMI

    Institute of Scientific and Technical Information of China (English)

    刘文红; 吴欣; 董锐

    2011-01-01

    在研究软件配置管理方法的基础上,结合CMMI配置管理要求以及航天测控软件配置管理实际需求,建立配置管理实施框架,实现了一个一体化的配置管理系统.该系统能够辅助开发人员和配置管理人员便捷地制定配置管理计划,进行配置标识、建立和发布基线、跟踪和控制更改、执行配置审核和报告的自动生成,实现了CMMI对软件配置管理的要求,提高了配置管理的自动化管理水平和易用性.%This paper established a CM implementation framework and implemented an integrated CM system based on study of the SCM method, combining the configuration management (CM) requirements of CMMI and the actual demands of the SCM of space tracking and commanding. The system can assist development and configuration management staff to develop configuration management plan easily, configuration identification, establishing and publishing the baseline, tracking and controlling changes, and the implementation of configuration audit and automatically generating reports, to achieve the CMMI requirements for the SCM, improving the management level and the usability of CM.

  1. Topology optimization of patch-typed left-handed metamaterial configurations for transmission performance within the radio frequency band based on the genetic algorithm

    Science.gov (United States)

    Dong, Yanzhang; Liu, Shutian

    2012-10-01

    For the requirement of broadband transmission with low attenuation within the radio frequency band, a topology optimization model of microstructure configuration design of patch-typed left-handed metamaterials is established, with the objective function defined by the ratio of the mean attenuation to the absolute left-handed bandwidth; then a genetic algorithm based solution method and flow chart of the topology optimization are presented. An improved electromagnetic simulation analysis method is used to obtain accurate equivalent electromagnetic parameters from the S-parameter retrieval process. Three patch-typed microstructure configurations are given according to the results of topology optimization designs for different lattice sizes, and the transmission performance indicators of these creative configurations are computed and analyzed by numerical simulation. The contrast of the design results shows that a U-shaped-like structure of half a unit cell height exists among all these optimum configurations. It is found through a further analysis that the distribution of conduction currents of U-shaped-like structures is the key to broadband transmission with low attenuation. Finally, a new topology optimization design with the perimeter constraint is proposed to solve the problem in the manufacturing process for checkerboard-typed lattices from these configurations.

  2. Configurational entropy of protein: A combined approach based on molecular simulation and integral-equation theory of liquids

    Science.gov (United States)

    Chong, Song-Ho; Ham, Sihyun

    2011-03-01

    We report the recent development of a theoretical method to calculate the protein configurational entropy in explicit solvent from statistical properties of the solvent-averaged protein potential energy surface. This method can be implemented by combining molecular simulation and integral-equation theory of liquids. Our method does not assume Gaussian distribution of protein configurations, and can be applied to unfolded or misfolded states of protein in which an average protein structure is not well defined. An illustrative application is made to misfolded state of 42-residue amyloid beta protein in water.

  3. Approaching exact hyperpolarizabilities via sum-over-states Monte Carlo configuration interaction.

    Science.gov (United States)

    Coe, J P; Paterson, M J

    2014-09-28

    We propose using sum-over-states calculations with the compact wavefunctions of Monte Carlo configuration interaction to approach accurate values for higher-order dipole properties up to second hyperpolarizabilities in a controlled way. We apply the approach to small systems that can generally be compared with full configuration interaction (FCI) results. We consider hydrogen fluoride with a 6-31g basis and then look at results, including frequency dependent properties, in an aug-cc-pVDZ basis. We extend one calculation beyond FCI by using an aug-cc-pVTZ basis. The properties of an H4 molecule with multireference character are calculated in an aug-cc-pVDZ basis. We then investigate this method on a strongly multireference system with a larger FCI space by modelling the properties of carbon monoxide with a stretched geometry. The behavior of the approach with increasing basis size is considered by calculating results for the neon atom using aug-cc-pVDZ to aug-cc-pVQZ. We finally test if the unusual change in polarizability between the first two states of molecular oxygen can be reproduced by this method in a 6-31g basis.

  4. Approaching exact hyperpolarizabilities via sum-over-states Monte Carlo configuration interaction

    Energy Technology Data Exchange (ETDEWEB)

    Coe, J. P.; Paterson, M. J., E-mail: M.J.Paterson@hw.ac.uk [Institute of Chemical Sciences, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom)

    2014-09-28

    We propose using sum-over-states calculations with the compact wavefunctions of Monte Carlo configuration interaction to approach accurate values for higher-order dipole properties up to second hyperpolarizabilities in a controlled way. We apply the approach to small systems that can generally be compared with full configuration interaction (FCI) results. We consider hydrogen fluoride with a 6-31g basis and then look at results, including frequency dependent properties, in an aug-cc-pVDZ basis. We extend one calculation beyond FCI by using an aug-cc-pVTZ basis. The properties of an H{sub 4} molecule with multireference character are calculated in an aug-cc-pVDZ basis. We then investigate this method on a strongly multireference system with a larger FCI space by modelling the properties of carbon monoxide with a stretched geometry. The behavior of the approach with increasing basis size is considered by calculating results for the neon atom using aug-cc-pVDZ to aug-cc-pVQZ. We finally test if the unusual change in polarizability between the first two states of molecular oxygen can be reproduced by this method in a 6-31g basis.

  5. Approaching exact hyperpolarizabilities via sum-over-states Monte Carlo configuration interaction

    CERN Document Server

    Coe, J P

    2014-01-01

    We propose using sum-over-states calculations with the compact wavefunctions of Monte Carlo configuration interaction to approach accurate values for higher-order dipole properties up to second hyperpolarizabilities in a controlled way. We apply the approach to small systems that can generally be compared with full configuration interaction (FCI) results. We consider hydrogen fluoride with a 6-31g basis and then look at results, including frequency dependent properties, in an aug-cc-pVDZ basis. We extend one calculation beyond FCI by using an aug-cc-pVTZ basis. The properties of an H$_{4}$ molecule with multireference character are calculated in an aug-cc-pVDZ basis. We then investigate this method on a strongly multireference system with a larger FCI space by modelling the properties of carbon monoxide with a stretched geometry. The behavior of the approach with increasing basis size is considered by calculating results for the neon atom using aug-cc-pVDZ to aug-cc-pVQZ. We finally test if the unusual change...

  6. Energetics of 1,n-didehydro-polyene diradicals and performance of reduced multireference coupled-cluster method

    Science.gov (United States)

    Li, Xiangzhu; Paldus, Josef

    The reduced multireference coupled-cluster method with singles and doubles (RMR CCSD) and its RMR CCSD(T) version are employed to study the energetics of 1,n-didehydro-polyenes. The RMR CCSD method accounts for quasi-degeneracy by exploiting a multireference (MR) CISD wave function as an external source of the most important (primary) triples and quadruples while the subsequent perturbative correction for the secondary triples leads to RMR CCSD(T). The resulting energies are compared with those yielded by the standard single-reference (SR) CCSD and CCSD(T) approaches. We first determine the optimal geometry for each species considered. Using the CC methods just mentioned we then compute the energy of the lowest-lying singlet and triplet states, the implied singlet-triplet splitting, and determine the spin multiplicity of the ground state. We point out the relationship between the degree of the diradical character, the extent of quasi-degeneracy or the MR nature of the state considered, the distance separating the radical centers and, finally, the size of the largest doubly excited cluster amplitude in the CC wave functions.

  7. 基于簇的MANET地址配置方案%Address configuration for MANET based on clusters

    Institute of Scientific and Technical Information of China (English)

    王晓喃; 钱焕延

    2012-01-01

    This paper proposed a dynamic and hierarchical IPv6 address configuration scheme for a MANET. The scheme established the hierarchical architecture and combines distributed and centralized approaches. In the architecture, it distributed a central node assigns IPv6 addresses for cluster heads around the MANET, and the distributed cluster heads assigned IPv6 addresses for cluster members. Then it proposed generation algorithm of a cluster, and it used the number of potential cluster members as a measurement unit and minimized the number of the cluster heads. Therefore, it reduced the address configuration cost for cluster heads. A central node/cluster head used the unicast communication mode to achieve the real-time address recovery in order to ensure that it had enough address resources for assignment. It also proposed the low-cost MANET merging and partitioning algorithms which guaranteed that no address collision happens during the MANET merging and partitioning process. It analyzed the performance parameters of the proposed scheme, including the address configuration cost, the address configuration delay and the number of MANET merging, etc. The analytical results show that the proposed scheme effectively reduces the address configuration cost, shortens the address configuration delay, and decreases the number of MANET merging.%提出了一种MANET的动态IPv6地址配置方案.此方案采用层次分配体系结构,即中心节点为簇首节点分配地址,簇首节点为簇内节点分配地址.提出了以簇内节点数量为度量单位的簇构建算法,实现了簇首节点最小化,降低了簇首节点地址分配代价.中心节点/簇首节点采用单播通信方式实现了地址实时回收,保证了中心节点/簇首节点有足够的地址进行分配.最后提出了低代价的MANET合并和分裂算法,有效减少了MANET合并次数.对所提方案的地址配置代价、地址配置延迟以及MANET合并次数等性能参数进行了分

  8. Array configuration studies for the Square Kilometre Array - Implementation of figures of merit based on spatial dynamic range

    CERN Document Server

    Lal, Dharam Vir; Jiménez-Monferrer, Sergio

    2010-01-01

    The Square Kilometre Array (SKA) will be operating at the time when several new large optical, X-ray and Gamma-ray facilities are expected to be working. To make SKA both competitive and complementary to these large facilities, thorough design studies are needed, focused in particular on imaging performance of the array. One of the crucial aspects of such studies is the choice of the array configuration, which affects substantially the resolution, rms noise, sidelobe level and dynamic range achievable with the SKA. We present here a quantitative assessment of the effect of the array configuration on imaging performance of the SKA, introducing the spatial dynamic range (SDR) and a measure of incompleteness of the Fourier domain coverage ($\\Delta u/u$) as prime figures of merit.

  9. Advanced configuration of gravitational-wave interferometer on the base of "sensitive mode" in "white-light cavity"

    OpenAIRE

    Karapetyan, G. G.

    2002-01-01

    A novel conception of "sensitive mode" (SM) is proposed to apply in gravitational-wave advanced interferometer configuration. The SM is resonant oscillation of electromagnetic field in "white-light cavity", where the resonance line is broadened without decreasing cavity quality. The frequency of the SM is greatly susceptible to the change of cavity length, and the SM is established in a cavity with time constant smaller than a conventional mode. Due to these advantages the sensitivity and ban...

  10. ONU Configuration Management Technology Based on NGPON System%基于NGPON系统的ONU配置管理技术

    Institute of Scientific and Technical Information of China (English)

    肖青; 黄婷熙

    2012-01-01

    According to ONU property introduced by the China Telecom equipment technical requirements of EPON V2.1, the ONU configuration management technology of NCPON system is proposed. In this paper, the implementation process of traditional ONU configuration management technology and ONU capability set configuration management are introduced. The method can well solve the equipment interworking problems, manage various types of ONU, and has strong practical value.%根据中国电信EPON设备技术要求V2.1中介绍的ONU能力属性,提出NGPON系统中ONU配置管理技术.详细介绍了传统ONU配置管理技术以及ONU能力集配置管理技术实现过程.该方法能很好地解决设备间的互通问题,能很好地管理厂商生产的各种类型ONU,具有很强的实用价值.

  11. Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling

    Energy Technology Data Exchange (ETDEWEB)

    Grell, Gilbert; Bokarev, Sergey I., E-mail: sergey.bokarev@uni-rostock.de; Kühn, Oliver [Institut für Physik, Universität Rostock, D-18051 Rostock (Germany); Winter, Bernd; Seidel, Robert [Helmholtz-Zentrum Berlin für Materialien und Energie, Methods for Material Development, Albert-Einstein-Strasse 15, D-12489 Berlin (Germany); Aziz, Emad F. [Helmholtz-Zentrum Berlin für Materialien und Energie, Methods for Material Development, Albert-Einstein-Strasse 15, D-12489 Berlin (Germany); Department of Physics, Freie Universität Berlin, Arnimalle 14, D-14159 Berlin (Germany); Aziz, Saadullah G. [Chemistry Department, Faculty of Science, King Abdulaziz University, 21589 Jeddah (Saudi Arabia)

    2015-08-21

    X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due to the multi-configurational and spin-mixed nature of the many-electron wave function. Here, the restricted active space self-consistent field method including spin-orbit coupling is used to cope with this challenge and to calculate valence- and core-level photoelectron spectra. The intensities are estimated within the frameworks of the Dyson orbital formalism and the sudden approximation. Thereby, we utilize an efficient computational algorithm that is based on a biorthonormal basis transformation. The approach is applied to the valence photoionization of the gas phase water molecule and to the core ionization spectrum of the [Fe(H{sub 2}O){sub 6}]{sup 2+} complex. The results show good agreement with the experimental data obtained in this work, whereas the sudden approximation demonstrates distinct deviations from experiments.

  12. Multi-reference approach to the calculation of photoelectron spectra including spin-orbit coupling

    CERN Document Server

    Grell, Gilbert; Winter, Bernd; Seidel, Robert; Aziz, Emad F; Aziz, Saadullah G; Kühn, Oliver

    2015-01-01

    X-ray photoelectron spectra provide a wealth of information on the electronic structure. The extraction of molecular details requires adequate theoretical methods, which in case of transition metal complexes has to account for effects due to the multi-configurational and spin-mixed nature of the many-electron wave function. Here, the Restricted Active Space Self-Consistent Field method including spin-orbit coupling is used to cope with this challenge and to calculate valence and core photoelectron spectra. The intensities are estimated within the frameworks of the Dyson orbital formalism and the sudden approximation. Thereby, we utilize an efficient computational algorithm that is based on a biorthonormal basis transformation. The approach is applied to the valence photoionization of the gas phase water molecule and to the core ionization spectrum of the $\\text{[Fe(H}_2\\text{O)}_6\\text{]}^{2+}$ complex. The results show good agreement with the experimental data obtained in this work, whereas the sudden approx...

  13. Hyperfine structures and Landé g{sub J}-factors for n=2 states in beryllium-, boron-, carbon-, and nitrogen-like ions from relativistic configuration interaction calculations

    Energy Technology Data Exchange (ETDEWEB)

    Verdebout, S.; Nazé, C. [Chimie Quantique et Photophysique, CP160/09, Université Libre de Bruxelles, B 1050 Brussels (Belgium); Jönsson, P., E-mail: per.jonsson@mah.se [Faculty of Technology and Society, Group for Materials Science and Applied Mathematics, Malmö University, 205-06 Malmö (Sweden); Rynkun, P. [Institute of Theoretical Physics and Astronomy, Vilnius University, LT-01108 Vilnius (Lithuania); Godefroid, M. [Chimie Quantique et Photophysique, CP160/09, Université Libre de Bruxelles, B 1050 Brussels (Belgium); Gaigalas, G. [Institute of Theoretical Physics and Astronomy, Vilnius University, LT-01108 Vilnius (Lithuania)

    2014-09-15

    Energy levels, hyperfine interaction constants, and Landé g{sub J}-factors are reported for n=2 states in beryllium-, boron-, carbon-, and nitrogen-like ions from relativistic configuration interaction calculations. Valence, core–valence, and core–core correlation effects are taken into account through single and double-excitations from multireference expansions to increasing sets of active orbitals. A systematic comparison of the calculated hyperfine interaction constants is made with values from the available literature.

  14. No-core configuration-interaction model for the isospin- and angular-momentum-projected states

    Science.gov (United States)

    Satuła, W.; Båczyk, P.; Dobaczewski, J.; Konieczka, M.

    2016-08-01

    Background: Single-reference density functional theory is very successful in reproducing bulk nuclear properties like binding energies, radii, or quadrupole moments throughout the entire periodic table. Its extension to the multireference level allows for restoring symmetries and, in turn, for calculating transition rates. Purpose: We propose a new variant of the no-core-configuration-interaction (NCCI) model treating properly isospin and rotational symmetries. The model is applicable to any nucleus irrespective of its mass and neutron- and proton-number parity. It properly includes polarization effects caused by an interplay between the long- and short-range forces acting in the atomic nucleus. Methods: The method is based on solving the Hill-Wheeler-Griffin equation within a model space built of linearly dependent states having good angular momentum and properly treated isobaric spin. The states are generated by means of the isospin and angular-momentum projection applied to a set of low-lying (multi)particle-(multi)hole deformed Slater determinants calculated using the self-consistent Skyrme-Hartree-Fock approach. Results: The theory is applied to calculate energy spectra in N ≈Z nuclei that are relevant from the point of view of a study of superallowed Fermi β decays. In particular, a new set of the isospin-symmetry-breaking corrections to these decays is given. Conclusions: It is demonstrated that the NCCI model is capable of capturing main features of low-lying energy spectra in light and medium-mass nuclei using relatively small model space and without any local readjustment of its low-energy coupling constants. Its flexibility and a range of applicability makes it an interesting alternative to the conventional nuclear shell model.

  15. Conceptualizing Embedded Configuration

    DEFF Research Database (Denmark)

    Oddsson, Gudmundur Valur; Hvam, Lars; Lysgaard, Ole

    2006-01-01

    and services. The general idea can be named embedded configuration. In this article we intend to conceptualize embedded configuration, what it is and is not. The difference between embedded configuration, sales configuration and embedded software is explained. We will look at what is needed to make embedded...... configuration systems. That will include requirements to product modelling techniques. An example with consumer electronics will illuminate the elements of embedded configuration in settings that most can relate to. The question of where embedded configuration would be relevant is discussed, and the current...

  16. Development of an Automated Micro-Computer Knowledge-Based Integrated Configuration Management System for the Stock Point Logistics Integrated Communications Environment (SPLICE) Project Management Staff.

    Science.gov (United States)

    1986-03-01

    METHODOLOGY USED TO DEVELOP THE SYSTEM The idea to pursue the development of a micro-comoriter 4.-. knowledge-based configuration system was fostered b...PERS6533.0 0.0 0.0 182 96 960201 SPLICENET MIGRATION SUPPORTO.0 800.0 0.0 183 97 970101 CNFC MGT DATA & RP(MTII COSTO .0 4500.0 ).0 184 98 980101

  17. Inverted electro-mechanical behaviour induced by the irreversible domain configuration transformation in (K,Na)NbO3-based ceramics.

    Science.gov (United States)

    Huan, Yu; Wang, Xiaohui; Koruza, Jurij; Wang, Ke; Webber, Kyle G; Hao, Yanan; Li, Longtu

    2016-02-26

    Miniaturization of domains to the nanometer scale has been previously reported in many piezoelectrics with two-phase coexistence. Despite the observation of nanoscale domain configuration near the polymorphic phase transition (PPT) regionin virgin (K0.5Na0.5)NbO3 (KNN) based ceramics, it remains unclear how this domain state responds to external loads and influences the macroscopic electro-mechanical properties. To this end, the electric-field-induced and stress-induced strain curves of KNN-based ceramics over a wide compositional range across PPT were characterized. It was found that the coercive field of the virgin samples was highest in PPT region, which was related to the inhibited domain wall motion due to the presence of nanodomains. However, the coercive field was found to be the lowest in the PPT region after electrical poling. This was related to the irreversible transformation of the nanodomains into micron-sized domains during the poling process. With the similar micron-sized domain configuration for all poled ceramics, the domains in the PPT region move more easily due to the additional polarization vectors. The results demonstrate that the poling process can give rise to the irreversible domain configuration transformation and then account for the inverted macroscopic piezoelectricity in the PPT region of KNN-based ceramics.

  18. Nonorthogonal orbital based n-body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self-consistent field function as reference.

    Science.gov (United States)

    Chen, Zhenhua; Chen, Xun; Ying, Fuming; Gu, Junjing; Zhang, Huaiyu; Wu, Wei

    2014-10-07

    Using the formulas and techniques developed in Papers I and II of this series, the recently developed second-order perturbation theory based on a valence bond self-consistent field reference function (VBPT2) has been extended by using the internally contracted correction wave function. This ansatz strongly reduces the size of the interaction space compared to the uncontracted wave function and thus improves the capability of the VBPT2 method dramatically. Test calculations show that internally contracted VBPT2 using only a small number of reference valence bond functions, can give results as accuracy as the VBPT2 method and other more sophisticated methods such as full configuration interaction and multireference configuration interaction.

  19. Configurable impedance matching to maximise power extraction for enabling self-powered system based-on photovoltaic cells

    Science.gov (United States)

    Rahman, Airul Azha Abd; Jamil, Wan Adil Wan; Umar, Akrajas Ali

    2016-07-01

    Multivariate energy harvesting system, solar and thermal energies, with configurable impedance matching features is presented. The system consists of a tuneable mechanism for peak performance tracking. The inputs are voltages ranging from 20 mV to 3.1 V. The matching load is individually tuned for photovoltaic and thermoelectric power efficiency not less than 80% and 50% of the open circuit voltage respectively. Of experimentation and analysis has been done, the time it takes to fully charge up to 3.4 V is 23 minutes with the rate of charging is 1.8 mV/sec. Empirical data is presented. [Figure not available: see fulltext.

  20. Effects of symmetry and spin configuration on spin-dependent transport properties of iron-phthalocyanine-based devices

    Energy Technology Data Exchange (ETDEWEB)

    Cui, Li-Ling [Institute of Super Microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha 410083 (China); School of Science, Hunan University of Technology, Zhuzhou 412007 (China); Yang, Bing-Chu, E-mail: bingchuyang@csu.edu.cn; Li, Xin-Mei; Cao, Can [Institute of Super Microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha 410083 (China); Long, Meng-Qiu, E-mail: mqlong@csu.edu.cn [Institute of Super Microstructure and Ultrafast Process in Advanced Materials, School of Physics and Electronics, Central South University, Changsha 410083 (China); Department of Physics and Materials Science, City University of Hong Kong, Hong Kong (China)

    2014-07-21

    Spin-dependent transport properties of nanodevices constructed by iron-phthalocyanine (FePc) molecule sandwiched between two zigzag graphene nanoribbon electrodes are studied using first-principles quantum transport calculations. The effects of the symmetry and spin configuration of electrodes have been taken into account. It is found that large magnetoresistance, large spin polarization, dual spin-filtering, and negative differential resistance (NDR) can coexist in these devices. Our results show that 5Z-FePc system presents well conductive ability in both parallel (P) and anti-parallel (AP) configurations. For 6Z-FePc-P system, spin filtering effect and large spin polarization can be found. A dual spin filtering and NDR can also be shown in 6Z-FePc-AP. Our studies indicate that the dual spin filtering effect depends on the orbitals symmetry of the energy bands and spin mismatching of the electrodes. And all the effects would open up possibilities for their applications in spin-valve, spin-filter as well as effective spin diode devices.

  1. Photonic crystal fiber-based multi-wavelength Brillouin fiber laser with dual-pass amplification configuration

    Institute of Scientific and Technical Information of China (English)

    R. Parvizi; S. W. Harun; N. M. Ali; N. S. Shahabuddin; H. Ahmad

    2011-01-01

    @@ A simple technique for achieving a stable, room temperature and multi-wavelength lasing with narrow linewidth is demonstrated using Brillouin fiber laser (BFL) with a 100-m-long photonic crystal fiber (PCF) in conjunction with a dual-pass configuration. A broadband fiber Bragg grating (FBG) operating in the C-band region is incorporated at the end side of the setup to allow a dual-pass operation. The proposed BFL can operate at any wavelength depending on the Brillouin pump wavelength and the FBG's reflection region used. With a Brillouin pump (BP) of 15.7 dBm, approximately 7 Stokes and 4 anti-Stokes lines are obtained with a line spacing of 0.08 nm.%A simple technique for achieving a stable, room temperature and multi-wavelength lasing with narrow linewidth is demonstrated using Brillouin fiber laser (BFL) with a 100-m-long photonic crystal fiber (PCF) in conjunction with a dual-pass configuration. A broadband fiber Bragg grating (FBG) operating in the C-band region is incorporated at the end side of the setup to allow a dual-pass operation. The proposed BFL can operate at any wavelength depending on the Brillouin pump wavelength and the FBG's reflection region used. With a Brillouin pump (BP) of 15.7 dBm, approximately 7 Stokes and 4 anti-Stokes lines are obtained with a line spacing of 0.08 nm.

  2. On the approximation of the similarity-transformed Hamiltonian in single-reference and multireference coupled cluster theory

    Science.gov (United States)

    Evangelista, Francesco A.; Gauss, Jürgen

    2012-06-01

    We consider the recursive single commutator (RSC) approximation of the Baker-Campbell-Hausdorff expansion introduced by Yanai and Chan [T. Yanai, G.K.-L. Chan, J. Chem. Phys. 124 (2006) 194106] and apply it in order to approximate the similarity transformation of the Hamiltonian in both traditional and unitary coupled cluster theory. The equilibrium bond distance, harmonic vibrational frequency, and anharmonic constant of H2, HF, N2, CuH, and Cu2 were computed using the coupled cluster approach with single and double excitations (CCSD) and CCSD with the RSC approximation of the similarity-transformed Hamiltonian (CCSD-RSC). Our results demonstrate that the RSC approximation introduces substantial errors in the estimates of molecular properties. The leading pejorative effects of the RSC approximation can be traced back to the imbalanced description of diagrams arising from the term {1}/{2}[H^,T,T]. Following this analysis we consider a modified RSC scheme correct to fourth-order in the energy, which is found to reproduce CCSD results more closely. The RSC scheme is also applied in conjunction with the state-specific multireference coupled cluster approach of Mukherjee and co-workers [U.S. Mahapatra, B. Datta, D. Mukherjee, J. Chem. Phys. 110 (1999) 6171] to compute the potential energy curve of the BeH2 model, the vibrational frequencies of ozone, and the singlet-triplet splitting of p-benzyne. These examples show that the deterioration of the results caused by the RSC scheme is analogous to the one observed in the single-reference case. Implications for the formulation of approximate internally contracted multireference theories are discussed.

  3. Analysis the configuration of earthing system based on high-low and low-high soil structure

    Energy Technology Data Exchange (ETDEWEB)

    Ramani, A. N.; Ahmad, Abdul Rahman; Sulaima, M. F.; Nasir, M. N. M.; Ahmad, Arfah [Faculty of Electrical Engineering, Universiti Teknikal Malaysia Melaka (UTeM), Hang Tuah Jaya, 76100 Durian Tunggal, Melaka (Malaysia)

    2015-05-15

    Each TNB transmission tower requires a tower footing resistance (TFR) with a lower grounding resistance value that depends on the transmission line voltage. For 132kV and 275kV tower, the TFR must less than 10Ω and 500kV tower must less than 5Ω. The TFR is changeable with variable factors such as soil resistivity. Low TFR provides essential protection to the fault such as lightning strike that may occur at any time. The fault current flow to the lowest resistance path and easily disperses to earth. Back flashover voltage across the insulator of transmission lines may occur when the TFR is high. The TFR is influenced by soil resistivity. There are three parameters affecting the soil resistivity; moisture content, salt content and temperature of the soil. High moisture content in soil will reduce the soil resistivity and resultant low TFR. Small scale moisture control by using Micro Reservoir (MR) irrigation with semi-permeable membranes have the power to offer the stable moisture in soil. By using osmosis concept, it is the process of net movement of water molecules from high potential water to lower potential water though a semi permeable membrane. The MR can withstand for 3 to 5 days without continuous water supply. The MR installed in the centre of the tower that contains a multiple parallel of electrode rods. The concentrated of electrode rods grounding configuration with a combination of MR will improve the TFR even at multilayer soil. As a result, MR gives a little improvement to TFR. The MR in area of concentrated electrode rod configuration to ensure the soil always wet and moist at all times. The changes in soil affect the tower-footing-resistance. The tower-footing-resistance measurement at afternoon is higher than at evening because of the temperature and moisture content in soil is change due to sun radiation.

  4. 一种基于图形化建模的遥测参数配置工具%A Telemetry Parameter Configuration Tool Based on Graphic Modeling

    Institute of Scientific and Technical Information of China (English)

    罗毓芳; 李强; 韩洪波

    2012-01-01

    设计了一种基于图形化建模的适用于多星遥测参数配置的软件工具,将实际存在的物理对象作为独立的模块、使用相关图元和界面建立其逻辑模型,并可将遥测参数配置信息和图形模型绑定其中.同时根据遥测参数配置模型的特点,制定适用于遥测参数配置信息的描述规范,根据此规范对逻辑模型进行描述,最终模型以XML(可扩展标记语言)文件形式存储.该工具可在不同卫星之间复用.实践应用表明,该工具可以将配置过程非专业化和可视化,减少重复工作,降低了配置过程中的出错概率,提高配置工作的效率和质量,实现多星遥测参数配置图形化显示和配置工作的批量化.%A graphic modeling tool is designed for configuration of telemetry parameters of multiple satellites. Physical objects are represented as independent modules and graphic elements and GUI (Graphic User Interface) are used to establish their logical model, and telemetry parameter configuration information and graphic models can be bound to it. Specification for description of telemetry parameter configuration information is drawn up based on the characteristics of the model and the logic model is described with the specification. The ultimate model is stored in XML (eXtensible Markup Language) file format. The tool can be reused among different satellites. Engineering applications show that the tool visualizes the configuration process and makes the process more concise. At the same time, it reduces repetitive workload, lowers risks of mistakes and increases the efficiency and quality of configuration process by batch-processing multi-satellite telemetry parameter configuration.

  5. Business Model Process Configurations

    DEFF Research Database (Denmark)

    Taran, Yariv; Nielsen, Christian; Thomsen, Peter

    2015-01-01

    Purpose – The paper aims: 1) To develop systematically a structural list of various business model process configuration and to group (deductively) these selected configurations in a structured typological categorization list. 2) To facilitate companies in the process of BM innovation, by develop......Purpose – The paper aims: 1) To develop systematically a structural list of various business model process configuration and to group (deductively) these selected configurations in a structured typological categorization list. 2) To facilitate companies in the process of BM innovation......, by developing (inductively) an ontological classification framework, in view of the BM process configurations typology developed. Design/methodology/approach – Given the inconsistencies found in the business model studies (e.g. definitions, configurations, classifications) we adopted the analytical induction...... method of data analysis. Findings - A comprehensive literature review and analysis resulted in a list of business model process configurations systematically organized under five classification groups, namely, revenue model; value proposition; value configuration; target customers, and strategic...

  6. Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States.

    Science.gov (United States)

    Ronca, Enrico; Angeli, Celestino; Belpassi, Leonardo; De Angelis, Filippo; Tarantelli, Francesco; Pastore, Mariachiara

    2014-09-09

    Making use of the recently developed excited state charge displacement analysis [E. Ronca et al., J. Chem. Phys. 140, 054110 (2014)], suited to quantitatively characterize the charge fluxes coming along an electronic excitation, we investigate the role of the density relaxation effects in the overall description of electronically excited states of different nature, namely, valence, ionic, and charge transfer (CT), considering a large set of prototypical small and medium-sized molecular systems. By comparing the response densities provided by time-dependent density functional theory (TDDFT) and the corresponding relaxed densities obtained by applying the Z-vector postlinear-response approach [N. C. Handy and H. F. Schaefer, J. Chem. Phys. 81, 5031 (1984)] with those obtained by highly correlated state-of-the-art wave function calculations, we show that the inclusion of the relaxation effects is imperative to get an accurate description of the considered excited states. We also examine what happens at the quality of the response function when an increasing amount of Hartree-Fock (HF) exchange is included in the functional, showing that the usually improved excitation energies in the case of CT states are not always the consequence of an improved description of their overall properties. Remarkably, we find that the relaxation of the response densities is always able to reproduce, independently of the extent of HF exchange in the functional, the benchmark wave function densities. Finally, we propose a novel and computationally convenient strategy, based on the use of the natural orbitals derived from the relaxed TDDFT density to build zero-order wave function for multireference perturbation theory calculations. For a significant set of different excited states, the proposed approach provided accurate excitation energies, comparable to those obtained by computationally demanding ab initio calculations.

  7. Mechanism of Spectral Tuning Going from Retinal in Vacuo to Bovine Rhodopsin and its Mutants: Multireference ab initio Quantum Mechanics/Molecular Mechanics Studies

    Science.gov (United States)

    Altun, Ahmet; Yokoyama, Shozo

    2009-01-01

    We have investigated photoabsorption spectra of bovine rhodopsin and its mutants (E122Q and E113Q) by hybrid quantum mechanical/molecular mechanical (QM/MM) calculations as well as retinal in vacuo by pure QM calculations, employing multireference (MR) ab initio and TD-B3LYP methods. The sophisticated MR-SORCI+Q and MRCISD+Q methods extrapolated with respect to adopted approximations can reproduce the experimental absorption maxima of retinal very well. The relatively inexpensive MR-DDCI2+Q method gives absorption maxima blue-shifted by ca. 65 nm from experimental values; however, this error is systematic and thus MR-DDCI2+Q can be used to estimate spectral shifts. In MR calculations, the ground state energy of retinal at B3LYP geometry is significantly lower than that at CASSCF geometry. Therefore, B3LYP geometry is more reliable than CASSCF geometry, which has blue-shift error as large as 100 nm in the gas phase. The effect of ground state geometry on the excitation energies is less critical in the polarizing field of protein environments. At the B3LYP geometry, there is no significant charge transfer upon vertical excitation to the S1 excited state either from Glu113 to retinal or from Schiff-base terminal to β-ionone ring through the polyene chain. All-trans to 11-cis isomerization of retinal in the gas phase has no influence on the calculated S1 absorbing state, in agreement with experiment. The shoulder of the experimental absorption spectrum of retinal in vacuo at the S1 absorbing band appears to be the second electronic transition (S2) in our calculations, contrary to previous tentative assignment to vibrational state of S1 or to the S1 band of a retinal isomer. PMID:19367945

  8. 基于部分配置信息的错误数据注入攻击%False Data Injection Attack Based on Partial Configuration Information

    Institute of Scientific and Technical Information of China (English)

    李勒; 洪爽俊; 张驰

    2014-01-01

    分析了电力系统配置矩阵,并提出了基于部分配置信息的的错误数据注入攻击,使得攻击者的第一个攻击需求也是最强的一个攻击需求得到了大幅度的减弱。最后通过对IEEE测试系统进行仿真分析,验证了方案的有效性和可行性。%False data injection attack(FDIA) ,systematically tampering with measurements of power system ,could bypass the classical bad data detection algorithm and then result in wrong output of power system state estimation , which poses a great threat to power system .However ,FDIA also gives great challenges to attackers .To launch FDIA ,attackers have to access the current power system configuration information firstly and manipulate the measurements of meters secondly .To lower the first attack condition ,we analysis the configuration matrix of power system and propose FDIA based on partial configuration information ,which greatly alleviates burdens on attackers . At last ,we demonstrate the success of this attack through simulation of IEEE test systems .

  9. A Simple Approach to Characterize Gas-Aqueous Liquid Two-phase Flow Configuration Based on Discrete Solid-Liquid Contact Electrification.

    Science.gov (United States)

    Choi, Dongwhi; Lee, Donghyeon; Kim, Dong Sung

    2015-10-14

    In this study, we first suggest a simple approach to characterize configuration of gas-aqueous liquid two-phase flow based on discrete solid-liquid contact electrification, which is a newly defined concept as a sequential process of solid-liquid contact and successive detachment of the contact liquid from the solid surface. This approach exhibits several advantages such as simple operation, precise measurement, and cost-effectiveness. By using electric potential that is spontaneously generated by discrete solid-liquid contact electrification, the configurations of the gas-aqueous liquid two-phase flow such as size of a gas slug and flow rate are precisely characterized. According to the experimental and numerical analyses on parameters that affect electric potential, gas slugs have been verified to behave similarly to point electric charges when the measuring point of the electric potential is far enough from the gas slug. In addition, the configuration of the gas-aqueous liquid two-phase microfluidic system with multiple gas slugs is also characterized by using the presented approach. For a proof-of-concept demonstration of using the proposed approach in a self-triggered sensor, a gas slug detector with a counter system is developed to show its practicality and applicability.

  10. 基于组态软件机械手监控系统的研究%Research of Manipulator Control System Based on Configuration Software

    Institute of Scientific and Technical Information of China (English)

    黄进财; 廖建飞; 王红梅

    2014-01-01

    This paper studies the application of configuration software in the manipulator graphic monitoring system, achieves the automatic control system of robot through the PLC. Based on configuration software, the paper designs graph monitoring human-machine interface to achieve the graphicanimation, connect, control manipulator. The mechanical hand movements process graphic animation are achieved through the configuration software, the mechanical manipulator's movement are of visualization. The paper provides the manipulator operation more intuitive, clear, accurate, and fully enhance the efficiency of the system.%研究了组态软件在机械手图形监控系统中的应用,通过PLC实现机械手的自动控制系统。基于组态软件设计出图形监控人机界面,实现图形动画连接,机械手的监控。通过组态软件实现机械手的动作过程图形动画演示,使机械手的动作形象化。提供较为直观、清晰、准确的机械手运行状态,充分提高系统的工作效率。

  11. Wideband and flat-gain amplifier based on high concentration erbium-doped fibres in parallel double-pass configuration

    Energy Technology Data Exchange (ETDEWEB)

    Hamida, B A; Cheng, X S; Harun, S W; Naji, A W; Arof, H; Al-Khateeb, W; Khan, S; Ahmad, H

    2012-03-31

    A wideband and flat gain erbium-doped fibre amplifier (EDFA) is demonstrated using a hybrid gain medium of a zirconiabased erbium-doped fibre (Zr-EDF) and a high concentration erbium-doped fibre (EDF). The amplifier has two stages comprising a 2-m-long ZEDF and 9-m-long EDF optimised for C- and L-band operations, respectively, in a double-pass parallel configuration. A chirp fibre Bragg grating (CFBG) is used in both stages to ensure double propagation of the signal and thus to increase the attainable gain in both C- and L-band regions. At an input signal power of 0 dBm, a flat gain of 15 dB is achieved with a gain variation of less than 0.5 dB within a wide wavelength range from 1530 to 1605 nm. The corresponding noise figure varies from 6.2 to 10.8 dB within this wavelength region.

  12. Hybrid Electric Vehicle Power Management Solutions Based on Isolated and Non-Isolated Configurations of MMCCC Converter

    Energy Technology Data Exchange (ETDEWEB)

    Khan, Faisal H [ORNL; Tolbert, Leon M [ORNL; Webb, William E [Oak Ridge National Laboratory (ORNL)

    2009-01-01

    This paper presents the various configurations of a multilevel modular capacitor-clamped converter (MMCCC), and it reveals many useful and new formations of the original MMCCC for transferring power in either an isolated or nonisolated manner. The various features of the original MMCCC circuit are best suited for a multibus system in future plug-in hybrid or fuel-cell-powered vehicles' drive train. The original MMCCC is capable of bidirectional power transfer using multilevel modular structure with capacitor-clamped topology. It has a nonisolated structure, and it offers very high efficiency even at partial loads. This circuit was modified to integrate single or multiple high-frequency transformers by using the intermediate voltage nodes of the converter. On the other hand, a special formation of the MMCCC can exhibit dc outputs offering limited isolation without using any isolation transformer. This modified version can produce a high conversion ratio from a limited number of components and has several useful applications in providing power to multiple low-voltage loads in a hybrid or electric automobile. This paper will investigate the origin of generating ac outputs from the MMCCC and shows how the transformer-free version can be modified to create limited isolation from the circuit. In addition, this paper will compare various modified forms of the MMCCC topology with existing dc-dc converter circuits from compactness and component utilization perspectives.

  13. HLT configuration management system

    CERN Document Server

    Daponte, Vincenzo

    2015-01-01

    The CMS High Level Trigger (HLT) is implemented running a streamlined version of the CMS offline reconstruction software running on thousands of CPUs. The CMS software is written mostly in C++, using Python as its configuration language through an embedded CPython interpreter. The configuration of each process is made up of hundreds of modules, organized in sequences and paths. As an example, the HLT configurations used for 2011 data taking comprised over 2200 different modules, organized in more than 400 independent trigger paths. The complexity of the HLT configurations and the large number of configuration produced require the design of a suitable data management system. The present work describes the designed solution to manage the considerable number of configurations developed and to assist the editing of new configurations. The system is required to be remotely accessible and OS-independent as well as easly maintainable easy to use. To meet these requirements a three-layers architecture has been choose...

  14. A configurational switch based on iridium-catalyzed allylic cyclization: application in asymmetric total syntheses of prosopis, dendrobate, and spruce alkaloids.

    Science.gov (United States)

    Gnamm, Christian; Brödner, Kerstin; Krauter, Caroline M; Helmchen, Günter

    2009-10-12

    A method for the stereoselective synthesis of 2,6-disubstituted piperidines has been developed that is based on the use of an intramolecular iridium-catalyzed allylic substitution as a configurational switch. The procedure allows the preparation of 2-vinylpiperidines with enantiomeric excesses (ee) of greater than 99%. As applications, total syntheses of piperidine alkaloids have been elaborated, most often by using Ru-catalyzed cross-metatheses as a key step for introduction of a side chain. Asymmetric total syntheses of the prosopis alkaloids (+)-prosopinine, (+)-prosophylline, (+)-prosopine, and of the dendrobate alkaloid (+)-241D and its C6 epimer are described.

  15. (RS)-Propranolol: enantioseparation by HPLC using newly synthesized (S)-levofloxacin-based reagent, absolute configuration of diastereomers and recovery of native enantiomers by detagging.

    Science.gov (United States)

    Alwera, Shiv; Bhushan, Ravi

    2016-08-01

    Diastereomers of (RS)-propranolol were synthesized using (S)-levofloxacin-based new chiral derivatizing reagents (CDRs). Levofloxacin was chosen as the pure (S)-enantiomer for its high molar absorptivity (εo  ∼ 24000) and availability at a low price. Its -COOH group had N-hydroxysuccinimide and N-hydroxybenzotriazole, which acted as good leaving groups during nucleophilic substitution by the amino group of the racemic (RS)-propranolol; the CDRs were characterized by UV, IR, (1) H-NMR, high resolution mass spectrometry (HRMS) and carbon, hydrogen, nitrogen, and sulphur fundamental elemental components analyser (CHNS). Diastereomers were separated quantitatively using open column chromatography; absolute configuration of the diastereomers was established and the reagent moiety was detagged under microwave-assisted acidic conditions. (S)- and (R)-propranolol as pure enantiomers and (S)-levofloxacin were separated, isolated and characterized. Optimized lowest-energy structures of the diastereomers were developed using Gaussian 09 Rev. A.02 program and hybrid density functional B3LYP with 6-31G* basis set (based on density functional theory) for explanation of elution order and configuration. In addition, RP HPLC conditions for separation of diastereomers were optimized with respect to pH, concentration of buffer, flow rate of mobile phase and nature of organic modifier. HPLC separation method was validated as per International Conference on Harmonization guidelines. With the systematic application of various analytical techniques, absolute configuration of the diastereomers (and the native enantiomers) of (RS)-propranolol was established. Copyright © 2016 John Wiley & Sons, Ltd.

  16. Handover initiation performance of a new multi-cell cellular configuration with a developed base-station multi-beam antenna

    Institute of Scientific and Technical Information of China (English)

    Zhang Zufan; Du Huiping; Zhu Weile; Yang Jing

    2005-01-01

    A new multi-cell cellular configuration networks is provided for analysis of handover initiation probability,which is based on multi-beam base-station antenna splitting in the elevation-radiating plane. The sum of the received signal power in the mobile station, including both desired and interference signal power, has been introduced into the handover initiation algorithm. Along with the idea, we present three models of handover initiation algorithm with the shadowing process of Gaussian distribution. The formulation of handover initiation probability of those algorithms is also analyzed. The validity of the presented models has been checked through the comparison with simulation results.The results present the performance characteristics of handover initiation vary with cluster number and base-station antenna elevation angle.

  17. Combined method for parallel manipulator configuration design

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    Configuration design is an essential, creative and decision-making step in parallel manipulator design process, in which modeling and assembly are iterative and trivial. Combined approach with automatic parametric modeling and automatic assembly is proposed for parallel manipulator configuration design. The design process and key techniques, such as configuration design, configuration verification, poses calculation of all parts in parallel manipulator, virtual assembly and etc., are discussed and demonstrated by an example. A software package is developed for parallel manipulator configuration design based on the proposed method with Visual C+ + and UG/OPEN on Unigraphics.

  18. Center-configuration selection technique for the reconfigurable modular robot

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The reconfigurable modular robot has an enormous amount of configurations to adapt to various environments and tasks. It greatly increases the complexity of configuration research in that the possible configuration number of the reconfigurable modular robot grows exponentially with the increase of module number. Being the initial configuration or the basic configuration of the reconfigurable robot, the center-configuration plays a crucial role in system's actual applications. In this paper, a novel center-configuration selection technique has been proposed for reconfigurable modular robots. Based on the similarities between configurations' transformation and graph theory, configuration network has been applied in the modeling and analyzing of these configurations. Configuration adjacency matrix, reconfirmation cost matrix, and center-configuration coefficient have been defined for the configuration network correspondingly. Being similar to the center-location problem, the center configuration has been selected according to the largest center-configuration coefficient. As an example of the reconfigurable robotic system, AMOEBA-I, a three-module reconfigurable robot with nine configurations which was developed in Shenyang Institute of Automation (SIA), Chinese Academy of Sciences (CAS), has been introduced briefly. According to the numerical simulation result, the center-configuration coefficients for these nine configurations have been calculated and compared to validate this technique. Lastly, a center- configuration selection example is provided with consideration of the adjacent configurations. The center-configuration selection technique proposed in this paper is also available to other reconfigurable modular robots.

  19. Software configuration management

    CERN Document Server

    Keyes, Jessica

    2004-01-01

    Software Configuration Management discusses the framework from a standards viewpoint, using the original DoD MIL-STD-973 and EIA-649 standards to describe the elements of configuration management within a software engineering perspective. Divided into two parts, the first section is composed of 14 chapters that explain every facet of configuration management related to software engineering. The second section consists of 25 appendices that contain many valuable real world CM templates.

  20. Chiral vanadium(V) complexes with 2-aminoglucose Schiff-base ligands and their solution configurations: synthesis, structures, and DFT calculations.

    Science.gov (United States)

    Mohammadnezhad, Gholamhossein; Böhme, Michael; Geibig, Daniel; Burkhardt, Anja; Görls, Helmar; Plass, Winfried

    2013-09-01

    The sugar-modified Schiff-base ligands derived from benzyl 2-deoxy-2-salicylideneamino-α-D-glucopyranoside (H2L(5-Br) and H2L(3-OMe)) were used to prepare the chiral oxidovanadium(V) complexes [VO(L(5-Br))(OMe)] (1) and [VO(L(3-OMe))(OMe)] (2) which can be isolated from a methanol solution as the six-coordinate complexes with an additional methanol ligand [VO(L(5-Br))(OMe)(MeOH)] (1-MeOH) and [VO(L(3-OMe))(OMe) (MeOH)] (2-MeOH). Both complexes crystallize in the orthorhombic space group P2(1)2(1)2(1) together with two solvent molecules of methanol as 1-MeOH·2MeOH and 1-MeOH·2MeOH. In both crystal structures, only diastereomers with A configuration at the chiral vanadium centre (OC-6-24-A) are observed which corresponds to an cis configuration of the oxido group at the vanadium centre and the benzyl group at the anomeric carbon of the sugar backbone. Upon recrystallization of 2-MeOH from chloroform, the five-coordinate complex 2 was obtained which crystallizes in the monoclinic space group P2(1) with one co-crystallized chloroform molecule (2·CHCl3). For the chiral vanadium centre in 2·CHCl3, a C configuration (SPY-5-43-C) is observed which corresponds to an trans structure as far as the orientations of the oxido and benzyl groups are concerned. (1)H and (51)V NMR spectra of 1 and 2 indicate the presence of two diastereomers in solution. Their absolute configurations can be assigned based on the magnetic anisotropy effect of the oxidovanadium group. This effect leads to significant differences for the (1)H NMR chemical shifts of the H-2 (1.1 ppm) and H-3 protons (0.3 ppm) of the glucose backbone of the two diastereomers, with the downfield shift observed for the H-2 proton of the C-configured and the H-3 proton of the A-configured diastereomer at the vanadium centre. For 1 and 2 the difference between the (51)V NMR chemical shifts of the two diastereomers is 30 and 28 ppm, respectively. Also in the (13)C NMR significant chemical shift differences between the

  1. ZEUS-DO: A Design Oriented CFD-Based Unsteady Aerodynamic Capability for Flight Vehicle Multidisciplinary Configuration Shape Optimization Project

    Data.gov (United States)

    National Aeronautics and Space Administration — CFD-based design-oriented (DO) steady/unsteady aerodynamic analysis tools for Aeroelastic / Aeroservoelastic (AE/ASE) evaluation lag significantly behind other...

  2. Airport Configuration Prediction Project

    Data.gov (United States)

    National Aeronautics and Space Administration — Airport configuration is a primary factor in various airport characteristics such as arrival and departure capacities and terminal area traffic patterns. These...

  3. Ansible configuration management

    CERN Document Server

    Hall, Daniel

    2013-01-01

    Ansible Configuration Management"" is a step-by-step tutorial that teaches the use of Ansible for configuring Linux machines.This book is intended for anyone looking to understand the basics of Ansible. It is expected that you will have some experience of how to set up and configure Linux machines. In parts of the book we cover configuration files of BIND, MySQL, and other Linux daemons, therefore a working knowledge of these would be helpful but are certainly not required.

  4. Adapting algebraic diagrammatic construction schemes for the polarization propagator to problems with multi-reference electronic ground states exploiting the spin-flip ansatz

    Energy Technology Data Exchange (ETDEWEB)

    Lefrancois, Daniel; Wormit, Michael; Dreuw, Andreas, E-mail: dreuw@uni-heidelberg.de [Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany)

    2015-09-28

    For the investigation of molecular systems with electronic ground states exhibiting multi-reference character, a spin-flip (SF) version of the algebraic diagrammatic construction (ADC) scheme for the polarization propagator up to third order perturbation theory (SF-ADC(3)) is derived via the intermediate state representation and implemented into our existing ADC computer program adcman. The accuracy of these new SF-ADC(n) approaches is tested on typical situations, in which the ground state acquires multi-reference character, like bond breaking of H{sub 2} and HF, the torsional motion of ethylene, and the excited states of rectangular and square-planar cyclobutadiene. Overall, the results of SF-ADC(n) reveal an accurate description of these systems in comparison with standard multi-reference methods. Thus, the spin-flip versions of ADC are easy-to-use methods for the calculation of “few-reference” systems, which possess a stable single-reference triplet ground state.

  5. 基于SVN的软件配置管理和持续集成%The software configuration management and the continuous integration based on SVN

    Institute of Scientific and Technical Information of China (English)

    姜文; 刘立康

    2016-01-01

    SVN是一款广泛使用的配置管理工具,适合中小型软件团队使用。本文叙述了SVN的特点,介绍了配置管理的基本概念和相关角色;详细介绍了基于SVN的软件配置管理和持续集成,主要包括权限管理、SVN控制管理下的开发工作、建立编码基线、构建内部转测试版本、变更管理、版本管理等内容;最后介绍了一个典型工作案例。工作实践表明采用该管理方法有助于提高软件质量,便于项目管理者及时了解工作进度和解决存在的问题。%The SVN is a widely used configuration management tool, which is suitable for small and medium-sized software team. This article describes the characteristics of SVN, introduces the basic concept of configuration management and related role; detailed introduced the software configuration management based on SVN and continuous integration, including rights management, the development work under control of SVN, sets up the coding baseline, builds the internal test version, changes management, version management, and other content; Finally introduces a typical case. Practice shows that this management method is helpful to improve the quality of software, is convenient for project managers understand the work progress and timely solve the problems.

  6. Local even-odd effect based on the number of configurations of pre-formed and formed fragmentations in a fissioning nucleus

    Science.gov (United States)

    Tudora, A.; Hambsch, F.-J.; Giubega, G.

    2016-09-01

    The present paper proposes a modeling of the local even-odd effect based on the number of configurations in a nucleus undergoing fission at two stages along its fission path. One is the fissioning nucleus stage just after passing through the outer saddle point when the fragments are considered as pre-formed and the intrinsic energy is not yet shared. The other stage is at the end of the fission path when the scission is imminent. Then the intrinsic energy is already partitioned and the fragments are completely formed. The probability that a pre-formed fragmentation arrives at the end of the fission path (i.e. at scission) when the fragmentation is completely formed is expressed by the ratio of the number of configurations of the formed fragmentation to the one of pre-formed fragmentation. The local even-odd effect is defined as half of the difference between these normalized ratios corresponding to even-Z and odd-Z fragmentations. Both numbers of configurations in the fissioning nucleus, in which the fragments are pre-formed and completely formed, are calculated using level densities described by the constant temperature function (justified by the small values of the intrinsic energy before scission). The obtained local even-odd effect results describe well the experimental data, including the increase at asymmetry values corresponding to fragmentations in which one of the fragments is magic or double magic (i.e. fragmentations in which ZH = 50 and/or NH = 82 and very asymmetric fragmentations in which ZL = 28).

  7. An Improved Empirical Potential for the Highly Multi-Reference Sextuply Bonded Transition Metal Benchamrk Molecule Cr_2

    Science.gov (United States)

    Dattani, Nikesh S.; Tomza, Michal; Li Manni, Giovanni

    2016-06-01

    The ground electronic state of the chromium dimer dissociates into Cr (^7S) + Cr (^7S) and therefore the fragments are highly open shell systems with a total of 12 singly occupied orbitals among its constituent atoms. It is considered one of the most difficult homonuclear diatomics for ab initio methods because of its highly multi-reference character. Therefore, every new multi-reference method must be tested against this benchmark system. However, the best empirical potential to compare with, has its own weaknesses. The photoelectron measurements of v=0-9 were fitted to a Morse potential (an old function which has only one parameter controlling the shape from r_e to D_e), and also inverted using a semi-classical theory into a potential after combining these data with measurements from what were hypothesized to be v=24-43. This bridging of a ˜2000 cm-1 gap in data back in 1993 was a valiant spectroscopic analysis. However since 1993, there have been enormous improvements in the field of potentiology. In 2011 a Morse/long-range (MLR) function successfully bridged a gap of more than 5000 cm-1 in experimental data^a, and in 2013 an experiment with ±0.000 02 cm-1 resolution confirmed that the 2011 MLR predicted the energy levels in the very center of this gap correctly within ˜ 1 cm-1,^b. While ab initio methods have very recently been able to predict differences in energy levels correctly to within 1 cm-1 for Li_2 ^c and to a lesser extent for BeH^d, ab initio methods have still not had this level of success for predicting binding energies. The MLR function not only has more flexibility than the original Morse function, but it also converges mathematically to the correct long-range limit expected by the state-of-the-art theory. Fitting the data to an MLR potential function in the Schrödinger equation allows for a fully quantum mechanical treatment over the entire range of data. By avoiding a semi-classical treatment, and using this more flexible, more

  8. NaNet: a flexible and configurable low-latency NIC for real-time trigger systems based on GPUs

    Science.gov (United States)

    Ammendola, R.; Biagioni, A.; Frezza, O.; Lamanna, G.; Lonardo, A.; Lo Cicero, F.; Paolucci, P. S.; Pantaleo, F.; Rossetti, D.; Simula, F.; Sozzi, M.; Tosoratto, L.; Vicini, P.

    2014-02-01

    NaNet is an FPGA-based PCIe X8 Gen2 NIC supporting 1/10 GbE links and the custom 34 Gbps APElink channel. The design has GPUDirect RDMA capabilities and features a network stack protocol offloading module, making it suitable for building low-latency, real-time GPU-based computing systems. We provide a detailed description of the NaNet hardware modular architecture. Benchmarks for latency and bandwidth for GbE and APElink channels are presented, followed by a performance analysis on the case study of the GPU-based low level trigger for the RICH detector in the NA62 CERN experiment, using either the NaNet GbE and APElink channels. Finally, we give an outline of project future activities.

  9. NaNet: a flexible and configurable low-latency NIC for real-time trigger systems based on GPUs

    CERN Document Server

    Ammendola, R; Frezza, O; Lamanna, G; Lonardo, A; Cicero, F Lo; Paolucci, P S; Pantaleo, F; Rossetti, D; Simula, F; Sozzi, M; Tosoratto, L; Vicini, P

    2014-01-01

    NaNet is an FPGA-based PCIe X8 Gen2 NIC supporting 1/10 GbE links and the custom 34~Gbps APElink channel. The design has GPUDirect RDMA capabilities and features a network stack protocol offloading module, making it suitable for building low-latency, real-time GPU-based computing systems. We provide a detailed description of the NaNet hardware modular architecture. Benchmarks for latency and bandwidth for GbE and APElink channels are presented, followed by a performance analysis on the case study of the GPU-based low level trigger for the RICH detector in the NA62 CERN experiment, using either the NaNet GbE and APElink channels. Finally, we give an outline of project future activities.

  10. A configurable tracking algorithm to detect cosmic muon tracks for the CMS-RPC based technical trigger

    CERN Document Server

    Rajan, R T; Loddo, F; Maggi, M; Ranieri, A; Abbrescia, M; Guida, R; Iaselli, G; Nuzzo, S; Pugliese, G; Roselli, G; Trentadue, R; Tupputi, b, S; Benussi, L; Bertani, M; Bianco, S; Fabbri, F; Cavallo, N; Cimmino, e, A; Lomidze, D; Noli, P; Paolucci, P; Piccolo, D; Polese, G; Sciacca, C; Baesso, g, P; Belli, G; Necchi, M; Ratti, S P; Pagano, D; Vitulo, P; Viviani, C; Dimitrov, A; Litov, L; Pavlov, B; Petkov, P; Genchev, V; Iaydjiev, P; Bunkowski, K; Kierzkowski, K; Konecki, M; Kudla, I; Pietrusinski, M; Pozniak, K

    2009-01-01

    In the CERN CMS experiment at LHC Collider special trigger signals called Technical Triggers will be used for the purpose of test and calibration. The Resistive Plate Chambers (RPC) based Technical Trigger system is a part of the CMS muon trigger system and is designed to detect cosmic muon tracks. It is based on two boards, namely RBC (RPC Balcony Collector) and TTU (Technical Trigger Unit). The proposed tracking algorithm (TA) written in VHDL and implemented in the TTU board detects single or multiple cosmic muon tracks at every bunch crossing along with their track lengths and corresponding chamber coordinates. The TA implementation in VHDL and its preliminary simulation results are presented.

  11. Base de données et gestion de configurations dans un atelier de génie logiciel

    OpenAIRE

    1983-01-01

    Il est propose dans cette thèse une méthode de composition modulaire de systèmes à partir d'éléments pouvant exister en plusieurs versions, ainsi qu'une base de données. Conservant les relations de compositions de versions. La réalisation de systèmes complexes s'accompagne de la vérification automatique de contraintes de composition. Une réalisation prototype de la base a été effectuée dans le cadre du projet ADELE

  12. Study on Mechanisms of Process Management based on Configuration Management Systems%基于配置管理系统的软件过程管理机制研究

    Institute of Scientific and Technical Information of China (English)

    陈宇; 钟林辉; 张路; 谢冰; 杨芙清

    2000-01-01

    Software processes are a group of relattng activities in the lifecycle of software. Process man agement is the central technique in software developing and maintaining. Based on configuration man agement system that manages the resource of an enterprise,process management will he more effective. This paper discusses the issues of process management in configuration management systems,such as task,rule and role. Based on the discussions,we make some study on mechanisms of computer aided management.

  13. Blue Light Emitting Diodes based on a partially conjugated Si-containing PPV-copolymer in a multilayer configuration

    NARCIS (Netherlands)

    Garten, F; Hilberer, A; Cacialli, F.; Esselink, F.J; van Dam, Y.; Schlatmann, A.R.; Friend, R.H.; Klapwijk, T.M; Hadziioannou, G

    1997-01-01

    Efficient blue Light Emitting Diodes (LEDs) based on a novel partially conjugated co-polymer (SiPPV) have been realized by a combination of techniques known to enhance the quantum efficiency of organic devices. The copolymer is homogeneously blended in a PVK-matrix to reduce the number of non-radiat

  14. Revisiting Group-Based Technology Adoption as a Dynamic Process: The Role of Changing Attitude-Rationale Configurations.

    NARCIS (Netherlands)

    Bayerl, P.S.; Lauche, K.; Axtell, C.

    2016-01-01

    In this study, we set out to better understand the dynamics behind group-based technology adoption by nvestigating the underlying mechanisms of changes in collective adoption decisions over time. Using a longitudinal multi-case study of production teams in the British oil and gas industry, we outli

  15. DSP integrated, parameterized, FPGA based cavity simulator and controller for VUV-FEL. SIMCON ver.2.1. installation and configuration procedures - User's manual

    Energy Technology Data Exchange (ETDEWEB)

    Koprek, W.; Pucyk, P.; Czarski, T.; Pozniak, K.T.; Romaniuk, R.S. [Warsaw Univ. of Technology (Poland). Inst. of Electronic Systems

    2005-07-01

    The note describes integrated system of hardware controller and simulator of the resonant superconducting, narrowband niobium cavity, originally considered for the TTF and TESLA in DESY, Hamburg (now predicted for the VUV and X-Ray FEL). The controller bases on a programmable circuit Xilinx VirtexII V3000 embedded on a PCB XtremeDSP Development Kit by Nallatech. The FPGA circuit configuration was done in the VHDL language. The internal hardware multiplication components, present in Virtex II chips, were used, to improve the floating point calculation efficiency. The implementation was achieved of a device working in the real time, according to the demands of the LLRF control system for the TESLA Test Facility. The device under consideration will be referred to as superconducting cavity (SCCav) SIMCON throughout this work. This document is intended to be used by end users and operators. It describes step by step how to install SIMCON in specific configuration, how and what software to copy to computer. There is described set of basic Matlab functions for developers of control algorithms. This paper also contains brief description how to use Matlab function of one algorithm with its graphic user panels. (orig.)

  16. Network sensitivity to geographical configuration

    CERN Document Server

    Searle, A C; McClelland, D E; Searle, Antony C; Scott, Susan M; Clelland, David E Mc

    2002-01-01

    Gravitational wave astronomy will require the coordinated analysis of data from the global network of gravitational wave observatories. Questions of how to optimally configure the global network naturally arise in this context. We propose a formalism to compare different configurations of the network, using both the coincident network analysis method and the coherent network analysis method, and construct a model to compute a figure-of-merit based on the detection rate for a population of standard-candle binary inspirals. We find that this measure of network quality is very sensitive to the geographic location of component detectors under a coincident network analysis, but comparatively insensitive under a coherent network analysis.

  17. PIV Logon Configuration Guidance

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Glen Alan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2016-03-04

    This document details the configurations and enhancements implemented to support the usage of federal Personal Identity Verification (PIV) Card for logon on unclassified networks. The guidance is a reference implementation of the configurations and enhancements deployed at the Los Alamos National Laboratory (LANL) by Network and Infrastructure Engineering – Core Services (NIE-CS).

  18. Background and Data Configuration Process of a Nationwide Population-Based Study Using the Korean National Health Insurance System

    Directory of Open Access Journals (Sweden)

    Sun Ok Song

    2014-10-01

    Full Text Available BackgroundThe National Health Insurance Service (NHIS recently signed an agreement to provide limited open access to the databases within the Korean Diabetes Association for the benefit of Korean subjects with diabetes. Here, we present the history, structure, contents, and way to use data procurement in the Korean National Health Insurance (NHI system for the benefit of Korean researchers.MethodsThe NHIS in Korea is a single-payer program and is mandatory for all residents in Korea. The three main healthcare programs of the NHI, Medical Aid, and long-term care insurance (LTCI provide 100% coverage for the Korean population. The NHIS in Korea has adopted a fee-for-service system to pay health providers. Researchers can obtain health information from the four databases of the insured that contain data on health insurance claims, health check-ups and LTCI.ResultsMetabolic disease as chronic disease is increasing with aging society. NHIS data is based on mandatory, serial population data, so, this might show the time course of disease and predict some disease progress, and also be used in primary and secondary prevention of disease after data mining.ConclusionThe NHIS database represents the entire Korean population and can be used as a population-based database. The integrated information technology of the NHIS database makes it a world-leading population-based epidemiology and disease research platform.

  19. 基于直流潮流的无功补偿自动配置方法%DC Power Flow Based Automatic Configuration of Reactive Power Compensators

    Institute of Scientific and Technical Information of China (English)

    王毅; 马世英; 王虹富; 董毅峰; 侯俊贤; 李晓斌

    2014-01-01

    提出了一种基于直流潮流的无功补偿自动配置方法。该方法针对已安排好的网架结构及参数、发电出力和负荷计算直流潮流,依据支路有功潮流分布估算节点理想无功补偿量;考虑并联电容电抗器的实际装设情况将无功补偿量转移到具有无功补偿能力的节点上;根据实际无功装置的单组容量和组数进行离散化,最终获得符合实际的无功补偿配置方案。该方法适用于方式安排中初始潮流方式的生成,为制定合理的运行方式提供帮助。基于实际电网的测试算例表明,该方法正确有效,简单实用,能够制定合理的初始无功补偿配置方案。%A DC power flow based automatic configuration of reactive power compensators is proposed. Based on the planned frame structure and parameters power grid, output of generating units and load the DC power flow is calculated, and according to the distribution of the active power flow in branches the amount of ideal reactive power compensation is estimated; considering actual installation of shunt capacitors and reactors the amount of reactive compensation is transferred to the nodes with the capability of reactive compensation;then the ideal compensation amount is according to the capacity of single-bank of capacitor and the number of banks the ideal compensation amount is discretized, and finally a configuration scheme of reactive power compensators is obtained. The proposed method is suitable for the formation of the initial power flow in the operation mode arrangement to offer the help for the drafting of reasonable operation modes. Results of the actual power grid based testing cases show that the proposed method is correct, effective, simple and convenient to use, and using this method a reasonable initial configuration scheme of reactive power compensators can be achieved.

  20. Marking up lattice QCD configurations and ensembles

    CERN Document Server

    Coddington, P; Maynard, C M; Pleiter, D; Yoshié, T

    2007-01-01

    QCDml is an XML-based markup language designed for sharing QCD configurations and ensembles world-wide via the International Lattice Data Grid (ILDG). Based on the latest release, we present key ingredients of the QCDml in order to provide some starting points for colleagues in this community to markup valuable configurations and submit them to the ILDG.

  1. Multireference ab initio studies of zero-field splitting and magnetic circular dichroism spectra of tetrahedral Co(II) complexes.

    Science.gov (United States)

    Sundararajan, Mahesh; Ganyushin, Dmitry; Ye, Shengfa; Neese, Frank

    2009-08-14

    A newly developed multireference (MR) ab initio method for the calculation of magnetic circular dichroism (MCD) spectra was calibrated through the calculation of the ground- and excited state properties of seven high-spin (S = 3/2) Co(II) complexes. The MCD spectra were computed by the explicit treatment of spin-orbit coupled (SOC) and spin-spin coupled (SSC) N-electron states. For the complexes studied in this work, we found that the SOC is more important than the SSC for determining the ground state zero field splitting (ZFS). Our computed ZFS parameter D for the [Co(PPh(3))(2)Cl(2)] model complex is -17.6 cm(-1), which is reasonably close to the experimental value of -14.8 cm(-1). Generally, the computed absorption and MCD spectra are in fair agreement with experiment for all investigated complexes. Thus, reliable electronic structure and spectroscopic predictions for medium sized transition metal complexes are feasible on the basis of this methodology. This characterizes the presented method as a promising tool for MCD spectra interpretations of transition metal complexes in a variety of areas of chemistry and biology.

  2. Novel configuration of poly(vinylidenedifluoride)-based gel polymer electrolyte for application in lithium-ion batteries

    Science.gov (United States)

    Fasciani, Chiara; Panero, Stefania; Hassoun, Jusef; Scrosati, Bruno

    2015-10-01

    Herein we propose a novel poly(vinylidene difluoride) (PVdF)-based gel polymer electrolyte (GPE) for application in lithium-ion batteries, LIBs. The GPE is prepared under air as a dry, flexible film and directly gelled during LIB assembly with a conventional liquid organic electrolyte. The dry-gel here originally reported maintains its structural integrity due to the presence of crystallized EC-solvent within its matrix that avoids structural collapse, as demonstrated by TGA analysis. By avoiding the use of controlled atmosphere, the GPE is easy to handle and suitable for roll-to-roll scaling-up, i.e. characteristics missed by the common gel membranes. Scanning Electron Microscopy (SEM) evidences a micrometric polymer network of the dry membrane precursor acting as the support matrix for the gelation. Electrochemical impedance spectroscopy (EIS) measurements and galvanostatic tests suggest a good stability of the lithium electrode/gel electrolyte interface and a satisfactory lithium transference number. Cycling tests of gel-electrolyte-based lithium half-cells using lithium iron phosphate (LiFePO4, LFP) and graphite (C), respectively, as counter electrodes, as well as of a full C/LFP lithium-ion battery confirm the suitability of the GPE developed in this work for application in stable, low cost and environmentally friendly energy storage systems.

  3. A Rules-Based Approach for Configuring Chains of Classifiers in Real-Time Stream Mining Systems

    Directory of Open Access Journals (Sweden)

    Brian Foo

    2009-01-01

    Full Text Available Networks of classifiers can offer improved accuracy and scalability over single classifiers by utilizing distributed processing resources and analytics. However, they also pose a unique combination of challenges. First, classifiers may be located across different sites that are willing to cooperate to provide services, but are unwilling to reveal proprietary information about their analytics, or are unable to exchange their analytics due to the high transmission overheads involved. Furthermore, processing of voluminous stream data across sites often requires load shedding approaches, which can lead to suboptimal classification performance. Finally, real stream mining systems often exhibit dynamic behavior and thus necessitate frequent reconfiguration of classifier elements to ensure acceptable end-to-end performance and delay under resource constraints. Under such informational constraints, resource constraints, and unpredictable dynamics, utilizing a single, fixed algorithm for reconfiguring classifiers can often lead to poor performance. In this paper, we propose a new optimization framework aimed at developing rules for choosing algorithms to reconfigure the classifier system under such conditions. We provide an adaptive, Markov model-based solution for learning the optimal rule when stream dynamics are initially unknown. Furthermore, we discuss how rules can be decomposed across multiple sites and propose a method for evolving new rules from a set of existing rules. Simulation results are presented for a speech classification system to highlight the advantages of using the rules-based framework to cope with stream dynamics.

  4. High Power Er/Yb Codoped Double Clad Fiber Pulsed Amplifier Based on an All-Fiber Configuration

    Institute of Scientific and Technical Information of China (English)

    ZHOU Lei; NING Ji-Ping; CHEN Cheng; HAN Qun; ZHANG Wei-Yi; WANG Jun-Tao

    2009-01-01

    We report an all-fiber two-stage high power pulsed amplifier,seeded with a 1550nm,1 kHz repetition rate rectangular pulse,and based on Er/Yb co-doped double clad fiber.All the characteristics are measured in the experiment.The maxima/slope efficiency is 22.56%,which is the highest we know of at such a low repetition rate,and the maximal output signal power is 1W.The various factors that affect the pulsed amplifier performance are analyzed.A high output power while keeping high power conversion efficiency can be obtained with careful selection of the input power,pump power and repetition rate.The experimental results show that the crucial parameters should be optimized when designing all-fiber pulsed amplifiers.

  5. A new vibration absorber based on the hysteresis of multi-configuration NiTiNOL-steel wire ropes assemblies

    Directory of Open Access Journals (Sweden)

    Carboni Biagio

    2014-01-01

    Full Text Available A new vibration absorber based on the restoring forces of NiTiNOL and mixed NiTiNOL-steel wire ropes subject to flexural and coupled tensile-flexural states is presented. The peculiar hysteresis of the device is due to the simultaneous presence of interwire friction and phase tranformations. An extension of the Bouc-Wen model is proposed to fit the experimental force-displacement cycles by employing the Differential Evolutionary optimization algorithm. The genetic-like optimization is carried out both for the constitutive identification and for the design of the vibration absorber. The effectiveness of the device is proved experimentally by a series of shaking table tests on a multi-story scale building.

  6. Strategy of Weblogic cluster configuration based on Windows and application safety%基于Windows的Weblogic集群配置及应用安全策略

    Institute of Scientific and Technical Information of China (English)

    刘伟斌

    2012-01-01

    介绍一种基于Weblogic的负载均衡集群配置方案,以及针对业务特点和安全原则进行的安全策略方案的制定.应用于服务器上,将负载分给多个服务器分担,能够解决CPU或I/O的高负载问题.%This paper introduced a kind of scheme for cluster configuration of load balance based on Web logic. In view of the business characteristics and the principle of safety, the safety strategy was formulated. Applied on the server, the load was shared among multiple servers. It could solve the high load problems caused by CPU or I / O.

  7. Configuring calendar variation based on time series regression method for forecasting of monthly currency inflow and outflow in Central Java

    Science.gov (United States)

    Setiawan, Suhartono, Ahmad, Imam Safawi; Rahmawati, Noorgam Ika

    2015-12-01

    Bank Indonesia (BI) as the central bank of Republic Indonesiahas a single overarching objective to establish and maintain rupiah stability. This objective could be achieved by monitoring traffic of inflow and outflow money currency. Inflow and outflow are related to stock and distribution of money currency around Indonesia territory. It will effect of economic activities. Economic activities of Indonesia,as one of Moslem country, absolutely related to Islamic Calendar (lunar calendar), that different with Gregorian calendar. This research aims to forecast the inflow and outflow money currency of Representative Office (RO) of BI Semarang Central Java region. The results of the analysis shows that the characteristics of inflow and outflow money currency influenced by the effects of the calendar variations, that is the day of Eid al-Fitr (moslem holyday) as well as seasonal patterns. In addition, the period of a certain week during Eid al-Fitr also affect the increase of inflow and outflow money currency. The best model based on the value of the smallestRoot Mean Square Error (RMSE) for inflow data is ARIMA model. While the best model for predicting the outflow data in RO of BI Semarang is ARIMAX model or Time Series Regression, because both of them have the same model. The results forecast in a period of 2015 shows an increase of inflow money currency happened in August, while the increase in outflow money currency happened in July.

  8. The LHCb configuration database

    CERN Document Server

    Abadie, Lana; Gaspar, Clara; Jacobsson, Richard; Jost, Beat; Neufeld, Niko

    2005-01-01

    The Experiment Control System (ECS) will handle the monitoring, configuration and operation of all the LHCb experimental equipment. All parameters required to configure electronics equipment under the control of the ECS will reside in a configuration database. The database will contain two kinds of information: 1.\tConfiguration properties about devices such as hardware addresses, geographical location, and operational parameters associated with particular running modes (dynamic properties). 2.\tConnectivity between devices : this consists of describing the output and input connections of a device (static properties). The representation of these data using tables must be complete so that it can provide all the required information to the ECS and must cater for all the subsystems. The design should also guarantee a fast response time, even if a query results in a large volume of data being loaded from the database into the ECS. To fulfil these constraints, we apply the following methodology: Determine from the d...

  9. Configuration Management Automation (CMA) -

    Data.gov (United States)

    Department of Transportation — Configuration Management Automation (CMA) will provide an automated, integrated enterprise solution to support CM of FAA NAS and Non-NAS assets and investments. CMA...

  10. Drupal 8 configuration management

    CERN Document Server

    Borchert, Stefan

    2015-01-01

    Drupal 8 Configuration Management is intended for people who use Drupal 8 to build websites, whether you are a hobbyist using Drupal for the first time, a long-time Drupal site builder, or a professional web developer.

  11. Airport Configuration Prediction Project

    Data.gov (United States)

    National Aeronautics and Space Administration — There is presently poor knowledge throughout the National Airspace System (NAS) of the airport configurations currently in use at each airport. There is even less...

  12. ATLAS DAQ Configuration Databases

    Institute of Scientific and Technical Information of China (English)

    I.Alexandrov; A.Amorim; 等

    2001-01-01

    The configuration databases are an important part of the Trigger/DAQ system of the future ATLAS experiment .This paper describes their current status giving details of architecture,implementation,test results and plans for future work.

  13. Optimized Configuration of Distributed Generators Based on NSGA-Ⅱ Algorithm%基于NSGA-Ⅱ算法的分布式电源优化配置

    Institute of Scientific and Technical Information of China (English)

    赵国波; 刘天琪; 王春明; 李群山

    2012-01-01

    In order to maximize the comprehensive benefit of the Distributed Generator (DG), the multi-objective DG configuration optimization model is proposed with three aims of minimizing the investment cost and power loss, and maximizing static voltage stability. A multi-objective genetic algorithm, Nondominated Sorting Genetic Algorithm (NS-GA-II) with elitist strategy is introduced, which can coordinate the relationship of all sub-objectives and find out the Pareto optimized solution. Based on the consideration of the integration characteristics of different types of DG, the DG configuration problem is solved by NSGA-II algorithm. The simulation results show that DG can reduce the investment and loss of distribution network, and improve static voltage stability. At the same time, DG configuration schemes can achieve good performance on economy, technology and security during the calculating of multi-objectives.%以合理配置分布式电源(DG)发挥其综合效益为目的,建立了以最小化分布式电源投资运行成本、最小化配电网网损和最大化静态电压稳定性为目标的配电网DG多目标优化配置模型.引入了多目标遗传算法-带精英策略的快速排序遗传算法(NSGA-Ⅱ),该算法能够协调各目标函数之间的关系,找出能使各目标函数尽量达到比较大的Pareto最优解集.在考虑不同类型DG的接入特性的基础上,采用NSGA-Ⅱ优化求解DG配置问题.算例分析表明,DG接入配电网后有利于节省配电网投资、减少配电网网损、提高静态电压稳定性.多目标优化计算结果表明,DG配置方案能够达到经济、技术、安全3个方面最优.

  14. Configuration by Modularisation

    DEFF Research Database (Denmark)

    Riitahuhta, Asko; Andreasen, Mogens Myrup

    1998-01-01

    Globally operating companies have realized that locally customized products and services are today the prerequisite for the success. The capability or the paradigm to act locally in global markets is called Mass Customization [Victor 1997]. The prerequisite for Mass Customization is Configuration...... for the creation of a structured product family is presented and examples are given. The concepts of a novel Dynamic Modularisation method, Metrics for Modularisation and Design for Configurability are presented....

  15. International Space Station Configuration Analysis and Integration

    Science.gov (United States)

    Anchondo, Rebekah

    2016-01-01

    Ambitious engineering projects, such as NASA's International Space Station (ISS), require dependable modeling, analysis, visualization, and robotics to ensure that complex mission strategies are carried out cost effectively, sustainably, and safely. Learn how Booz Allen Hamilton's Modeling, Analysis, Visualization, and Robotics Integration Center (MAVRIC) team performs engineering analysis of the ISS Configuration based primarily on the use of 3D CAD models. To support mission planning and execution, the team tracks the configuration of ISS and maintains configuration requirements to ensure operational goals are met. The MAVRIC team performs multi-disciplinary integration and trade studies to ensure future configurations meet stakeholder needs.

  16. Knowledge Engineering for Embedded Configuration

    DEFF Research Database (Denmark)

    Oddsson, Gudmundur Valur

    2008-01-01

    This thesis presents a way to simplify setup of complex product systems with the help of embedded configuration. To achieve this, one has to focus on what subsystems need to communicate between themselves. The required internal knowledge is then structured at three abstraction levels. Simplificat......This thesis presents a way to simplify setup of complex product systems with the help of embedded configuration. To achieve this, one has to focus on what subsystems need to communicate between themselves. The required internal knowledge is then structured at three abstraction levels...... usability of the installation. In our case, we have rationalized that this should be done with embedded configuration, and the expected result is enhanced usability. The suggested method is deeply rooted in system theory. It draws on the emergent properties expected from the system, and tries to embed...... step can be said to be two-fold: first, to construct a system based on this philosophy and to show that it actually leads to the expected results. And second, to further develop the modelling tools and methods for supporting the making of embedded configuration systems, or in essence, a distributed...

  17. Observed benefits from product configuration systems

    DEFF Research Database (Denmark)

    Hvam, Lars; Haug, Anders; Mortensen, Niels Henrik

    2013-01-01

    This article presents a study of the benefits obtained from applying product configuration systems based on a case study in four industry companies. The impacts are described according to main objectives in literature for imple-menting product configuration systems: lead time in the specification...

  18. Reference frame for Product Configuration

    DEFF Research Database (Denmark)

    Ladeby, Klaes Rohde; Oddsson, Gudmundur Valur

    2011-01-01

    on configuration systems in the shape of anecdotal reporting on the development of information systems that perhaps support the configuration task – perhaps not. Consequently, the definition of configuration has become ambiguous as different research groups defines configuration differently. This paper propose...... a reference frame for configuration that permits 1) a more precise understanding of a configuration system, 2) a understanding of how the configuration system relate to other systems, and 3) a definition of the basic concepts in configuration. The total configuration system, together with the definition...

  19. Laser-based welding of 17-4 PH martensitic stainless steel in a tubular butt joint configuration with a built-in backing bar

    Science.gov (United States)

    Ma, Junjie; Atabaki, Mehdi Mazar; Liu, Wei; Pillai, Raju; Kumar, Biju; Vasudevan, Unnikrishnan; Kovacevic, Radovan

    2016-08-01

    Laser-based welding of thick 17-4 precipitation hardening (PH) martensitic stainless steel (SS) plates in a tubular butt joint configuration with a built-in backing bar is very challenging because the porosity and cracks are easily generated in the welds. The backing bar blocked the keyhole opening at the bottom surface through which the entrapped gas could escape, and the keyhole was unstable and collapsed overtime in a deep partially penetrated welding conditions resulting in the formation of pores easily. Moreover, the fast cooling rate prompted the ferrite transform to austenite which induced cracking. Two-pass welding procedure was developed to join 17-4 PH martensitic SS. The laser welding assisted by a filler wire, as the first pass, was used to weld the groove shoulder. The added filler wire could absorb a part of the laser beam energy; resulting in the decreased weld depth-to-width ratio and relieved intensive restraint at the weld root. A hybrid laser-arc welding or a gas metal arc welding (GMAW) was used to fill the groove as the second pass. Nitrogen was introduced to stabilize the keyhole and mitigate the porosity. Preheating was used to decrease the cooling rate and mitigate the cracking during laser-based welding of 17-4 PH martensitic SS plates.

  20. A Novel Component Carrier Configuration and Switching Scheme for Real-Time Traffic in a Cognitive-Radio-Based Spectrum Aggregation System.

    Science.gov (United States)

    Fu, Yunhai; Ma, Lin; Xu, Yubin

    2015-09-17

    In spectrum aggregation (SA), two or more component carriers (CCs) of different bandwidths in different bands can be aggregated to support a wider transmission bandwidth. The scheduling delay is the most important design constraint for the broadband wireless trunking (BWT) system, especially in the cognitive radio (CR) condition. The current resource scheduling schemes for spectrum aggregation become questionable and are not suitable for meeting the challenge of the delay requirement. Consequently, the authors propose a novel component carrier configuration and switching scheme for real-time traffic (RT-CCCS) to satisfy the delay requirement in the CR-based SA system. In this work, the authors consider a sensor-network-assisted CR network. The authors first introduce a resource scheduling structure for SA in the CR condition. Then the proposed scheme is analyzed in detail. Finally, simulations are carried out to verify the analysis on the proposed scheme. Simulation results prove that our proposed scheme can satisfy the delay requirement in the CR-based SA system.

  1. A Novel Component Carrier Configuration and Switching Scheme for Real-Time Traffic in a Cognitive-Radio-Based Spectrum Aggregation System

    Directory of Open Access Journals (Sweden)

    Yunhai Fu

    2015-09-01

    Full Text Available In spectrum aggregation (SA, two or more component carriers (CCs of different bandwidths in different bands can be aggregated to support a wider transmission bandwidth. The scheduling delay is the most important design constraint for the broadband wireless trunking (BWT system, especially in the cognitive radio (CR condition. The current resource scheduling schemes for spectrum aggregation become questionable and are not suitable for meeting the challenge of the delay requirement. Consequently, the authors propose a novel component carrier configuration and switching scheme for real-time traffic (RT-CCCS to satisfy the delay requirement in the CR-based SA system. In this work, the authors consider a sensor-network-assisted CR network. The authors first introduce a resource scheduling structure for SA in the CR condition. Then the proposed scheme is analyzed in detail. Finally, simulations are carried out to verify the analysis on the proposed scheme. Simulation results prove that our proposed scheme can satisfy the delay requirement in the CR-based SA system.

  2. 基于KingView的MPS组态监控系统设计%Design of MPS configuration monitoring system based on KingView

    Institute of Scientific and Technical Information of China (English)

    陈天炎

    2012-01-01

    Based on the modular production system of German company FESTO,this paper designs an online real-time monitoring system for automated production line by KingView soft.System uses Siemens S7-300 series PLC as the main control device,designs the automatic control system hardware and software,implements communication between the PLC and PC,completes the development of the monitoring program and the system real-time online monitoring based on industrial configuration software KingView.%以德国FESTO公司的MPS模块化生产加工系统为基础,设计了一种基于Kingview组态王的自动化生产线实时在线监控系统.系统采用西门子S7-300系列PLC作为主要控制设备,完成自动控制系统的硬件和软件设计,实现PLC与上位机之间的通信,并利用工业组态软件KingView完成监控程序的开发,实现对该系统的实时在线监控.

  3. A Risk-Based Approach to Variable Load Configuration Validation in Steam Sterilization: Application of PDA Technical Report 1 Load Equivalence Topic.

    Science.gov (United States)

    Pavell, Anthony; Hughes, Keith A

    2010-01-01

    This article describes a method for achieving the load equivalence model, described in Parenteral Drug Association Technical Report 1, using a mass-based approach. The item and load bracketing approach allows for mixed equipment load size variation for operational flexibility along with decreased time to introduce new items to the operation. The article discusses the utilization of approximately 67 items/components (Table IV) identified for routine sterilization with varying quantities required weekly. The items were assessed for worst-case identification using four temperature-related criteria. The criteria were used to provide a data-based identification of worst-case items, and/or item equivalence, to carry forward into cycle validation using a variable load pattern. The mass approach to maximum load determination was used to bracket routine production use and allows for variable loading patterns. The result of the item mapping and load bracketing data is "a proven acceptable range" of sterilizing conditions including loading configuration and location. The application of these approaches, while initially more time/test-intensive than alternate approaches, provides a method of cycle validation with long-term benefit of ease of ongoing qualification, minimizing time and requirements for new equipment qualification for similar loads/use, and for rapid and rigorous assessment of new items for sterilization.

  4. The LHCb configuration database

    CERN Document Server

    Abadie, L; Van Herwijnen, Eric; Jacobsson, R; Jost, B; Neufeld, N

    2005-01-01

    The aim of the LHCb configuration database is to store information about all the controllable devices of the detector. The experiment's control system (that uses PVSS ) will configure, start up and monitor the detector from the information in the configuration database. The database will contain devices with their properties, connectivity and hierarchy. The ability to store and rapidly retrieve huge amounts of data, and the navigability between devices are important requirements. We have collected use cases to ensure the completeness of the design. Using the entity relationship modelling technique we describe the use cases as classes with attributes and links. We designed the schema for the tables using relational diagrams. This methodology has been applied to the TFC (switches) and DAQ system. Other parts of the detector will follow later. The database has been implemented using Oracle to benefit from central CERN database support. The project also foresees the creation of tools to populate, maintain, and co...

  5. Configuration Control Office

    CERN Multimedia

    Beltramello, O

    In order to enable Technical Coordination to manage the detector configuration and to be aware of all changes in this configuration, a baseline of the envelopes has been created in April 2001. Fifteen system and multi-system envelope drawings have been approved and baselined. An EDMS file is associated with each approved envelope, which provides a list of the current known unsolved conflicts related to the envelope and a list of remaining drawing inconsistencies to be corrected. The envelope status with the associated drawings and EDMS file can be found on the web at this adress: http://atlasinfo.cern.ch/Atlas/TCOORD/Activities/Installation/Configuration/ Any modification in the baseline has to be requested via the Engineering Change Requests. The procedure can be found under: http://atlasinfo.cern.ch/Atlas/TCOORD/Activities/TcOffice/Quality/ECR/ TC will review all the systems envelopes in the near future and manage conflict resolution with the collaboration of the systems.

  6. Multireference Theoretical Calculation of Photodissociation of SSCH3%SSCH3光解离的多参考理论计算

    Institute of Scientific and Technical Information of China (English)

    闫冰; 潘守甫; 王志刚; 于俊华

    2006-01-01

    运用多参考微扰理论(Multireference Mller-Plesset theory)计算了SSCH3垂直激发能及其S-C与S-S两种断键方式的绝热(Adiabatic)与非绝热(Diabatic)的基态和激发态势能曲线, 研究了在193 nm激光作用下SSCH3的光解离过程, 理论计算值与实验值相符.

  7. Configuration and Data Management Process and the System Safety Professional

    Science.gov (United States)

    Shivers, Charles Herbert; Parker, Nelson C. (Technical Monitor)

    2001-01-01

    This article presents a discussion of the configuration management (CM) and the Data Management (DM) functions and provides a perspective of the importance of configuration and data management processes to the success of system safety activities. The article addresses the basic requirements of configuration and data management generally based on NASA configuration and data management policies and practices, although the concepts are likely to represent processes of any public or private organization's well-designed configuration and data management program.

  8. Electronically configured battery pack

    Energy Technology Data Exchange (ETDEWEB)

    Kemper, D.

    1997-03-01

    Battery packs for portable equipment must sometimes accommodate conflicting requirements to meet application needs. An electronically configurable battery pack was developed to support two highly different operating modes, one requiring very low power consumption at a low voltage and the other requiring high power consumption at a higher voltage. The configurable battery pack optimizes the lifetime and performance of the system by making the best use of all available energy thus enabling the system to meet its goals of operation, volume, and lifetime. This paper describes the cell chemistry chosen, the battery pack electronics, and tradeoffs made during the evolution of its design.

  9. On the Multi-Reference Nature of Plutonium Oxides: PuO$_2^{2+}$, PuO$_2$, PuO$_3$ and PuO$_2$(OH)$_2$

    CERN Document Server

    Boguslawski, Katharina; Tecmer, Paweł; Duperrouzel, Corinne; Gomes, André Severo Pereira; Legeza, Örs; Ayers, Paul W; Vallet, Valérie

    2016-01-01

    Actinide-containing complexes present formidable challenges for electronic structure methods due to the large number of degenerate or quasi-degenerate electronic states arising from partially occupied 5f and 6d shells. Conventional multi-reference methods can treat active spaces that are often at the upper limit of what is required for a proper treatment of species with complex electronic structures, leaving no room for verifying their suitability. In this work we address the issue of properly defining the active spaces in such calculations, and introduce a protocol to determine optimal active spaces based on the use of the Density Matrix Renormalization Group algorithm and concepts of quantum information theory. We apply the protocol to elucidate the electronic structure and bonding mechanism of volatile plutonium oxides (PuO$_3$ and PuO$_2$(OH)$_2$), species associated with nuclear safety issues for which little is known about the electronic structure and energetics. We show how, within a scalar relativisti...

  10. Research of Production Configuration Management Based on the Internet of Things-mixed Cloud Enterprise%基于物联网-混合云企业的生产配置管理

    Institute of Scientific and Technical Information of China (English)

    李光荣; 刘彩霞; 鲁泳; 王云霞; 王志亮; 胡升平

    2013-01-01

    Configuration requirement of the mixed cloud production enterprise is analyzed and the production configuration function is summarized.Production allocation content is inducted based on the intemet of things-mixed cloud enterprise.The workshop production of configuration management is designed in detail.Those are elaborated on the specific content and mode of operation of material configuration.It is obtained that the configuration of the model and relation model diagram.Production resource allocation method is studied based on multi-tree theory of internet of things-mixed cloud enterprise.Production resource allocation model based on the tree is established.It has laid a theoretical basis for optimal application and reasonable allocation of resources.%研究了基于多叉树理论的物联网-混合云企业的生产资源配置方法,建立了基于多叉树的生产资源配置模型,为充分合理地应用生产资源配置奠定了理论基础.

  11. Propellant Simulation Plastic System Based on PMAC and Configuration%基于PMAC和组态的推进剂模拟整形系统

    Institute of Scientific and Technical Information of China (English)

    王慧; 侯守全; 钟亮

    2011-01-01

    介绍了基于PMAC和组态的远程监控系统在小型固体火箭推进剂模拟整形系统中的应用,数控系统以PMAC及PLC为核心,通过模拟加工、数据采集实现了系统的远程监控.数控系统的控制方式灵活方便,得到的实验数据为固体火箭推进剂模拟整形的进一步研究提供了宝贵的依据.%This paper introduces the application of propellant simulation plastic s stem on the miniature solid rocket engine based on PMAC and configuration.This remote automatic control of the system is achieved by simulation machining, data acquisition with PMAC and PLC as the core.The system which adopts flexible control mode supplys precious experimental data for the futher study of the propellant simulation plastic system.

  12. Optimization Design of Wings Planform Configuration Based on Kriging Model%基于Kriging模型机翼平面外形气动优化设计

    Institute of Scientific and Technical Information of China (English)

    于方圆; 高永; 王允良; 韩维

    2013-01-01

    使用基于Kriging模型的优化设计方法,进行了非常规布局机翼的平面外形多目标优化设计。利用CFD技术进行机翼升力系数和阻力系数的气动计算,通过拉丁超立方试验设计生成样本点,建立了Kriging代理模型,结合多目标遗传算法对机翼平面外形进行多点多目标优化设计,最终得到了Pareto最优解集。根据设计需求,从Pa-reto前沿选取一个非劣解作为优化结果。结果表明:Kriging模型与CFD计算误差很小,可信度高;在不同设计状态下,机翼气动性能都得到了提高,表明优化设计方法具有可行性和高效性。%A Kriging-based optimization design system was used and applied to planform parameters optimization design of unconventional configuration. The Latin hypercube method was employed to construct the initial sam-ple points. Lift coefficient and drag coefficient of the wings was calculated by CFD. The combination of the Kriging surrogate model and multi-object genetic algorithms was used to optimize the wings planform configura-tion. The planform optimum result was chosen in the Pareto front according to design requirements. The results indicated that confidence level of the Kriging model was high and the errors between the Kriging model and CFD results were small. With different design conditions, the aerodynamic performance of wings was improved. The optimization design method was feasible and efficient highly.

  13. Inclusive Services Innovation Configuration

    Science.gov (United States)

    Holdheide, Lynn R.; Reschly, Daniel J.

    2011-01-01

    Teacher preparation to deliver inclusive services to students with disabilities is increasingly important because of changes in law and policy emphasizing student access to, and achievement in, the general education curriculum. This innovation configuration identifies the components of inclusive services that should be incorporated in teacher…

  14. Ansible configuration management

    CERN Document Server

    Hall, Daniel

    2015-01-01

    This book is intended for anyone who wants to learn Ansible starting from the basics. Some experience of how to set up and configure Linux machines and a working knowledge of BIND, MySQL, and other Linux daemons is expected.

  15. DNS BIND Server Configuration

    Directory of Open Access Journals (Sweden)

    Radu MARSANU

    2011-01-01

    Full Text Available After a brief presentation of the DNS and BIND standard for Unix platforms, the paper presents an application which has a principal objective, the configuring of the DNS BIND 9 server. The general objectives of the application are presented, follow by the description of the details of designing the program.

  16. A Multireference Density Functional Approach to the Calculation of the Excited States of Uranium Ions

    Science.gov (United States)

    2007-03-01

    by Equation 42 exist, with the most successful based upon numerical fits to quantum mechanical Monte Carlo calculations on the ground state of a...mass with speed. The fifth term is known as the Darwin term, and is a result of zitterbewegung, or trembling motion. It is a result of the Heisenberg ...Benchmark Database. Technical Re- port, August 2005. NIST Standard Reference Database Number 101. 2. Adamo, Carlo and Vincenzo Barone. “Toward reliable

  17. Privacy at home: Analysis of behavioral patterns in the spatial configuration of traditional and modern houses in the city of Hamedan based on the notion of space syntax

    Directory of Open Access Journals (Sweden)

    Saeid Alitajer

    2016-09-01

    The findings indicate that the spatial configurations of houses have changed in the course of time. In terms of the indices of spatial configurations, however, the striking difference between traditional and modern houses in Hamedan revolves around the integration and equivalence of all spaces in a house. In other words, the hierarchy of access to spaces and the recognition of territories are limited in modern houses. Hence, privacy in modern houses fades.

  18. Multi-Configuration Dirac–Hartree–Fock (MCDHF Calculations for B-Like Ions

    Directory of Open Access Journals (Sweden)

    Indu Khatri

    2016-05-01

    Full Text Available Relativistic configuration interaction results are presented for several B-like ions (Ge XXVIII, Rb XXXIII, Sr XXXIV, Ru XL, Sn XLVI, and Ba LII using the multi-configuration Dirac–Hartree–Fock (MCDHF method. The calculations are carried out in the active space approximation with the inclusion of the Breit interaction, the finite nuclear size effect, and quantum electrodynamic corrections. Results for fine structure energy levels for 1s22s22p and 2s2p2 configurations relative to the ground state are reported. The transition wavelengths, transition probabilities, line strengths, and absorption oscillator strengths for 2s22p–2s2p2 electric dipole (E1 transitions are calculated. Both valence and core-valence correlation effects were accounted for through single-double multireference (SD-MR expansions to increasing sets of active orbitals. Comparisons are made with the available data and good agreement is achieved. The values calculated using core–valence correlation are found to be very close to other theoretical and experimental values. The behavior of oscillator strengths as a function of nuclear charge is studied. We believe that our results can guide experimentalists in identifying the fine-structure levels in their future work.

  19. Graph theory for FPGA minimum configurations

    Institute of Scientific and Technical Information of China (English)

    Ruan Aiwu; Li Wenchang; Xiang Chuanyin; Song Jiangmin; Kang Shi; Liao Yongbo

    2011-01-01

    A traditional bottom-up modeling method for minimum configuration numbers is adopted for the study of FPGA minimum configurations.This method is limited ifa large number of LUTs and multiplexers are presented.Since graph theory has been extensively applied to circuit analysis and test,this paper focuses on the modeling FPGA configurations.In our study,an internal logic block and interconnections of an FPGA are considered as a vertex and an edge connecting two vertices in the graph,respectively.A top-down modeling method is proposed in the paper to achieve minimum configuration numbers for CLB and IOB.Based on the proposed modeling approach and exhaustive analysis,the minimum configuration numbers for CLB and IOB are five and three,respectively.

  20. Speeding up Derivative Configuration from Product Platforms

    Directory of Open Access Journals (Sweden)

    Ruben Heradio

    2014-06-01

    Full Text Available To compete in the global marketplace, manufacturers try to differentiate their products by focusing on individual customer needs. Fulfilling this goal requires that companies shift from mass production to mass customization. Under this approach, a generic architecture, named product platform, is designed to support the derivation of customized products through a configuration process that determines which components the product comprises. When a customer configures a derivative, typically not every combination of available components is valid. To guarantee that all dependencies and incompatibilities among the derivative constituent components are satisfied, automated configurators are used. Flexible product platforms provide a big number of interrelated components, and so, the configuration of all, but trivial, derivatives involves considerable effort to select which components the derivative should include. Our approach alleviates that effort by speeding up the derivative configuration using a heuristic based on the information theory concept of entropy.

  1. Dynamic configuring of the metastructure

    Directory of Open Access Journals (Sweden)

    Katarzyna Grzybowska

    2012-06-01

    Full Text Available Background: A trend to create groups of enterprises can be observed; whose model of operation makes use of assets of large, small and medium sized companies. It is a higher level of organisational changes. This trend is described as network organisation. It is based on the so called supply chain. The Authors of this paper proposed authors' analysis dynamic configuration of the supply chain and presents an example. The supply chain is a metastructure. It is an intermediate form between a single enterprise (microstructure/microsystem and the global economy (macrostructure/macrosystem. The metastructure is characterized by a dynamic holarchy of mutually cooperating holons (enterprises. Methods: After a brief discussion of the nature of supply chain (metrastructure and configuration of metastructures, authors present variable supply chains in the light of morphological analysis and presents an example.   Results: The key benefits of this approach are: identifying the characteristics of a supply network and modeling the flow in the entire own supply chain metastructure and possible quick adaptations to new situations. Conclusions: Configuration of a supply chain with the use of a morphological analysis is a basic action, if its goal is to optimally model the flow of goods and implementation of quick adaptation to new situations.     

  2. RINGED ACCRETION DISKS: EQUILIBRIUM CONFIGURATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Pugliese, D.; Stuchlík, Z., E-mail: d.pugliese.physics@gmail.com, E-mail: zdenek.stuchlik@physics.cz [Institute of Physics and Research Centre of Theoretical Physics and Astrophysics, Faculty of Philosophy and Science, Silesian University in Opava, Bezručovo náměstí 13, CZ-74601 Opava (Czech Republic)

    2015-12-15

    We investigate a model of a ringed accretion disk, made up by several rings rotating around a supermassive Kerr black hole attractor. Each toroid of the ringed disk is governed by the general relativity hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. Properties of the tori can then be determined by an appropriately defined effective potential reflecting the background Kerr geometry and the centrifugal effects. The ringed disks could be created in various regimes during the evolution of matter configurations around supermassive black holes. Therefore, both corotating and counterrotating rings have to be considered as being a constituent of the ringed disk. We provide constraints on the model parameters for the existence and stability of various ringed configurations and discuss occurrence of accretion onto the Kerr black hole and possible launching of jets from the ringed disk. We demonstrate that various ringed disks can be characterized by a maximum number of rings. We present also a perturbation analysis based on evolution of the oscillating components of the ringed disk. The dynamics of the unstable phases of the ringed disk evolution seems to be promising in relation to high-energy phenomena demonstrated in active galactic nuclei.

  3. Configuration Management Process Assessment Strategy

    Science.gov (United States)

    Henry, Thad

    2014-01-01

    Purpose: To propose a strategy for assessing the development and effectiveness of configuration management systems within Programs, Projects, and Design Activities performed by technical organizations and their supporting development contractors. Scope: Various entities CM Systems will be assessed dependent on Project Scope (DDT&E), Support Services and Acquisition Agreements. Approach: Model based structured against assessing organizations CM requirements including best practices maturity criteria. The model is tailored to the entity being assessed dependent on their CM system. The assessment approach provides objective feedback to Engineering and Project Management of the observed CM system maturity state versus the ideal state of the configuration management processes and outcomes(system). center dot Identifies strengths and risks versus audit gotcha's (findings/observations). center dot Used "recursively and iteratively" throughout program lifecycle at select points of need. (Typical assessments timing is Post PDR/Post CDR) center dot Ideal state criteria and maturity targets are reviewed with the assessed entity prior to an assessment (Tailoring) and is dependent on the assessed phase of the CM system. center dot Supports exit success criteria for Preliminary and Critical Design Reviews. center dot Gives a comprehensive CM system assessment which ultimately supports configuration verification activities.*

  4. Polysoaps: Configurations and Elasticity

    Science.gov (United States)

    Halperin, A.

    1997-03-01

    Simple polymers are very long, flexible, linear molecules. Amphiphiles, soaps, are small molecules comprising of a part that prefers water over oil and a part that prefers oil over water. By combining the two we arrive at an interesting, little explored, class of materials: Polysoaps. These comprise of a water soluble backbone incorporating, at intervals, covalently bound amphiphilic monomers. In water, the polymerised amphiphiles aggregate into self assembled units known as micelles. This induces a dramatic modification of the spatial configurations of the polymers. What were featureless random coils now exhibit intramolecular, hierachial self organisation. Due to this self organisation it is necessary to modify the paradigms describing the large scale behaviour of these polymers: Their configurations, dimensions and elasticity. Understanding the behaviour of these polymers is of practical interest because of their wide range of industrial applications, ranging from cosmetics to paper coating. It is of fundamental interest because polysoaps are characterised by a rugged free energy landscape that is reminiscent of complex systems such as proteins and glasses. The talk concerns theoretical arguments regarding the following issues: (i) The design parameters that govern the spatial configurations of the polysoaps, (ii) The interaction between polysoaps and free amphiphiles, (iii) The effect of the intramolecular self organisation on the elasticity of the chains.

  5. Research on Customized Telecommunication Product Structural Modeling and Configuration Based on Modular Product Family%基于模块化产品族的定制电信产品结构建模及配置研究

    Institute of Scientific and Technical Information of China (English)

    丑文亚

    2013-01-01

    According to the plurality and individuation of the customers'demands, a customized telecommunication product configuration model was established on the basis of the modular product family structure GBOM. The configuration modules were categorized as basic configuration modular, essential modular and optional modular complying with the configurability of telecommunication products. Five-element information expression model was also constructed. Additionally, the attributes and variable of the module, module configuration rules and the match of module variables were analyzed. Based on customers' demands, the customized telecommunication product configuration was completed by determining and assigning values to the parameters of each configuration module in GBOM and constraint solving.%针对个性化、多元化的定制客户需求特点,在模块化产品族结构GBOM基础上建立了一种定制电信产品配置模型.根据电信产品的可配置性,将配置模块分为基本配置模块、必选配置模块、可选配置模块3类,构建了配置模块的五元信息表达模型,研究了模块的属性及其变量、模块的配置规则和模块变量的匹配.基于客户需求在GBOM中确定设计参数,并赋值于各配置模块,在配置规则下求解得到最终的定制电信产品.

  6. Plausible domain configurations and phase contents in two- and three-phase BaTiO3-based lead-free ferroelectrics

    Science.gov (United States)

    Topolov, Vitaly Yu; Brajesh, Kumar; Ranjan, Rajeev; Panich, Anatoly E.

    2017-02-01

    We have carried out a comparative study of plausible non-180° domain configurations in the two- and three-phase states of lead-free ferroelectrics Ba(Ti1-x Zr x )O3 (0.02  ⩽  x  ⩽  0.08) and (Ba0.85Ca0.15)(Ti0.90Zr0.10)O3, respectively, using the elastic matching approach. The phase contents and stress-relief conditions in Ba(Ti0.93Zr0.07)O3 and (Ba0.85Ca0.15)(Ti0.90Zr0.10)O3 strongly depend on domain types in the rhombohedral R3m phase, whereas domains of the orthorhombic Amm2 phase influence two-phase states in Ba(Ti0.98Zr0.02)O3. Changes in unit-cell parameters of (Ba0.85Ca0.15)(Ti0.90Zr0.10)O3 at poling lead to the complete stress relief in three-phase (P4mm  +  Amm2  +  R3m) structures by increasing the volume fraction of the R3m phase. A link between the heterophase/domain structures and high piezoelectric activity in (Ba0.85Ca0.15)(Ti0.90Zr0.10)O3 is discussed. Based on our results, we state that equal or almost equal volume fractions of the domain types at the three-phase coexistence in (Ba0.85Ca0.15). .(Ti0.90Zr0.10)O3 can lead to an enhanced contribution from domain-wall displacements and therefore, to the large piezoelectric response in this important lead-free ferroelectric compound.

  7. Data assimilative twin-experiment in a high-resolution Bay of Biscay configuration: 4DEnOI based on stochastic modeling of the wind forcing

    Science.gov (United States)

    Vervatis, V.; Testut, C. E.; De Mey, P.; Ayoub, N.; Chanut, J.; Quattrocchi, G.

    2016-04-01

    A twin-experiment is carried out introducing elements of an Ensemble Kalman Filter (EnKF), to assess and correct ocean uncertainties in a high-resolution Bay of Biscay configuration. Initially, an ensemble of 102 members is performed by applying stochastic modeling of the wind forcing. The target of this step is to simulate the envelope of possible realizations and to explore the robustness of the method at building ensemble covariances. Our second step includes the integration of the ensemble-based error estimates into a data assimilative system adopting a 4D Ensemble Optimal Interpolation (4DEnOI) approach. In the twin-experiment context, synthetic observations are simulated from a perturbed member not used in the subsequent analyses, satisfying the condition of an unbiased probability distribution function against the ensemble by performing a rank histogram. We evaluate the assimilation performance on short-term predictability focusing on the ensemble size, the observational network, and the enrichment of the ensemble by inexpensive time-lagged techniques. The results show that variations in performance are linked to intrinsic oceanic processes, such as the spring shoaling of the thermocline, in combination with external forcing modulated by river runoffs and time-variable wind patterns, constantly reshaping the error regimes. Ensemble covariances are able to capture high-frequency processes associated with coastal density fronts, slope currents and upwelling events near the Armorican and Galician shelf break. Further improvement is gained when enriching model covariances by including pattern phase errors, with the help of time-neighbor states augmenting the ensemble spread.

  8. Conceptual design of cost-effective and environmentally-friendly configurations for fuel ethanol production from sugarcane by knowledge-based process synthesis.

    Science.gov (United States)

    Sánchez, Óscar J; Cardona, Carlos A

    2012-01-01

    In this work, the hierarchical decomposition methodology was used to conceptually design the production of fuel ethanol from sugarcane. The decomposition of the process into six levels of analysis was carried out. Several options of technological configurations were assessed in each level considering economic and environmental criteria. The most promising alternatives were chosen rejecting the ones with a least favorable performance. Aspen Plus was employed for simulation of each one of the technological configurations studied. Aspen Icarus was used for economic evaluation of each configuration, and WAR algorithm was utilized for calculation of the environmental criterion. The results obtained showed that the most suitable synthesized flowsheet involves the continuous cultivation of Zymomonas mobilis with cane juice as substrate and including cell recycling and the ethanol dehydration by molecular sieves. The proposed strategy demonstrated to be a powerful tool for conceptual design of biotechnological processes considering both techno-economic and environmental indicators.

  9. Sectorization and Configuration Transition in Airspace Design

    Directory of Open Access Journals (Sweden)

    Xiang Zou

    2016-01-01

    Full Text Available Current airspace is sectorized according to some predefined rules that are not flexible. To facilitate utilizing the airspace more efficiently, methods to design sectors need to be promoted. In this paper, we propose an undirected graph cut-based approach that employs a memetic local search-embedded constrained evolution algorithm, NSGA-II, to generate nondominated airspace configurations. We also propose a new concave hull-based method to automatically depict sector boundaries. In addition, we also study the configuration transition problem. We define the similarity of the two different configurations and calculate their similarity with a bisection diagram and a minimum cost flow algorithm. We build a forward network to represent configuration transitions across several consecutive time periods and use multiobjective dynamic programming to determine a series of nondominated configuration links from the first period to the end. We test our approaches by simulation in high-altitude airspace controlled by Beijing Area Control Center. The results show that our sectorization method outperforms the current configuration in practice, providing a lower sector number, lower intersector flow, more balanced workload distribution among the different sectors, and no constraint violations, so that the proposed approach shows its significant potential as practical applications for dynamic airspace configuration.

  10. Reactor assessments of advanced bumpy torus configurations

    Energy Technology Data Exchange (ETDEWEB)

    Uckan, N.A.; Owen, L.W.; Spong, D.A.; Miller, R.L.; Ard, W.B.; Pipkins, J.F.; Schmitt, R.J.

    1983-01-01

    Recently, several configurational approaches and concept improvement schemes were introduced for enhancing the performance of the basic ELMO Bumpy Torus (EBT) concept and for improving its reactor potential. These configurations include planar racetrack and square geometries, Andreoletti coil systems, and bumpy torus-stellarator hybrids (which include twisted racetrack and helical axis stellarator-snakey torus). Preliminary evaluations of reactor implications of each of these configurations have been carried out based on magnetics (vacuum) calculations, transport and scaling relationships, and stability properties. Results indicate favorable reactor projections with a significant reduction in reactor physical size as compared to conventional EBT reactor designs carried out in the past.

  11. REQUIREMENT PRODUCT CONFIGURATION IN MASS CUSTOMIZATION

    Institute of Scientific and Technical Information of China (English)

    Wang Xin; Tan Jianrong; Zhang Shuyou; Wu Peining

    2005-01-01

    On the basis of researching on requirement product configuration in mass customization, the concept of product family requirement class (PFRC) and requirement-matching template are put forward. A case-based requirement product configuration (CB-RPC) model and corresponding requirement product model are established. The result of requirement product configuration is obtained by using the method of two-level similar matching. In addition, the effect of the method on requirement responding is analyzed. Finally, the model and the method given are applied in elevator industry, and have improved the enterprise's ability of rapid responding to customer's requirements.

  12. 一种基于DCO的可配置数字频率合成器%A DCO-Based Configurable Digital Frequency Synthesizer

    Institute of Scientific and Technical Information of China (English)

    文治平; 王浩弛; 陈雷; 李学武; 张彦龙

    2015-01-01

    This paper presents a digitally controlled oscillator (DCO ) based on a multiplying delay locked loop (MDLL) ,and a DCO‐based configurable digital frequency synthesizer (DFS) is implemented .The output clock frequency is equal to the reference clock frequency multiplied by M divided by D .The multiplication ratio M and division ratio D can be programmed from 2 to 32 ,and 1 to 32 ,respectively .The frequency synthesizer achieves similar jitter performance as conventional MDLL .The DFS is implemented in TSMC 0 .13‐μm CMOS technology , with a layout area of 480 μm × 120 μm .The frequency range of the input and output clock are 1 ~ 270 M Hz and 15~ 400 MHz ,respectively .The measured phase noise is‐110 .01 dBc/Hz@ 1 MHz ,when the output clock frequency is 270 M Hz .%首先设计了一种基于MDLL的数控振荡器(DCO),进而实现了一种基于DCO的全数字可配置的数字频率合成器(DFS),输出时钟频率等于参考时钟频率乘以 M除以D ,实现了类似于MDLL的抖动特性.频率合成器提供一个可配置的倍频因子 M和一个分频因子D ,其范围为2~32和1~32,用户可以通过对 M和D的配置,实现任意倍数的频率合成.所设计的DFS采用 TSMC的0.13 mm标准CMOS工艺实现,版图面积为480μm ×120μm .DFS的输出频率范围为15~400 M Hz ,输入频率范围为1~270 M Hz .输出频率为270 M Hz时实测的相位噪声为-110.01 dBc/Hz@1 M Hz .

  13. Automatic Configuration in NTP

    Institute of Scientific and Technical Information of China (English)

    Jiang Zongli(蒋宗礼); Xu Binbin

    2003-01-01

    NTP is nowadays the most widely used distributed network time protocol, which aims at synchronizing the clocks of computers in a network and keeping the accuracy and validation of the time information which is transmitted in the network. Without automatic configuration mechanism, the stability and flexibility of the synchronization network built upon NTP protocol are not satisfying. P2P's resource discovery mechanism is used to look for time sources in a synchronization network, and according to the network environment and node's quality, the synchronization network is constructed dynamically.

  14. Ontology-based configuration of problem-solving methods and generation of knowledge-acquisition tools: application of PROTEGE-II to protocol-based decision support.

    Science.gov (United States)

    Tu, S W; Eriksson, H; Gennari, J H; Shahar, Y; Musen, M A

    1995-06-01

    PROTEGE-II is a suite of tools and a methodology for building knowledge-based systems and domain-specific knowledge-acquisition tools. In this paper, we show how PROTEGE-II can be applied to the task of providing protocol-based decision support in the domain of treating HIV-infected patients. To apply PROTEGE-II, (1) we construct a decomposable problem-solving method called episodic skeletal-plan refinement, (2) we build an application ontology that consists of the terms and relations in the domain, and of method-specific distinctions not already captured in the domain terms, and (3) we specify mapping relations that link terms from the application ontology to the domain-independent terms used in the problem-solving method. From the application ontology, we automatically generate a domain-specific knowledge-acquisition tool that is custom-tailored for the application. The knowledge-acquisition tool is used for the creation and maintenance of domain knowledge used by the problem-solving method. The general goal of the PROTEGE-II approach is to produce systems and components that are reusable and easily maintained. This is the rationale for constructing ontologies and problem-solving methods that can be composed from a set of smaller-grained methods and mechanisms. This is also why we tightly couple the knowledge-acquisition tools to the application ontology that specifies the domain terms used in the problem-solving systems. Although our evaluation is still preliminary, for the application task of providing protocol-based decision support, we show that these goals of reusability and easy maintenance can be achieved. We discuss design decisions and the tradeoffs that have to be made in the development of the system.

  15. CoMM:Configurable Multimedia Middleware

    Institute of Scientific and Technical Information of China (English)

    SUN Song-lin; MA Yu-feng; CAI An-ni; SUN Jing-ao

    2004-01-01

    This paper presents the architecture of a Configurable Multimedia Middleware (CoMM). For distributed environments, the component based software framework and object-oriented technology are used in CoMM. Which contributs that it may be configured for various multimedia services with the reusable components conveniently. Also, the active QoS adaption mechanism, which protects the server from overload with the management of the resource vector, is introduced in detail.

  16. Control capability analysis for complex spacecraft thruster configurations

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The set of forces and moments that can be generated by thrusters of a spacecraft is called the"control capability"with respect to the thruster configuration.If the control capability of a thruster configuration is adequate to fulfill a given space mission,we say this configuration is a feasible one with respect to the task.This study proposed a new way to analyze the control capability of the complex thruster configuration.Precise mathematical definitions of feasibility were proposed,based on which a criterion to judge the feasibility of the thruster configuration was presented through calculating the shortest distance to the boundary of the controllable region as a function of the thruster configuration.Finally,control capability analysis for the complex thruster configuration based on its feasibility with respect to the space mission was given followed by a 2-D thruster configuration example to demonstrate its validity.

  17. Dysprosium(III) complexes with a square-antiprism configuration featuring mononuclear single-molecule magnetic behaviours based on different β-diketonate ligands and auxiliary ligands.

    Science.gov (United States)

    Zhang, Sheng; Ke, Hongshan; Shi, Quan; Zhang, Jangwei; Yang, Qi; Wei, Qing; Xie, Gang; Wang, Wenyuan; Yang, Desuo; Chen, Sanping

    2016-03-28

    Three mononuclear dysprosium(III) complexes derived from three β-diketonate ligands, 4,4,4-trifluoro-1-(4-methylphenyl)-1,3-butanedione (tfmb), 4,4,4-trifluoro-1-(4-fluorophenyl)-1,3-butanedione (tffb) and 4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione (tfnb) as well as auxiliary ligands, 5-nitro-1,10-phenanthroline (5-NO2-Phen), DMF and 2,2'-bipyridine (bpy) have been synthesized and structurally characterized, namely [Dy(5-NO2-Phen)(tfmb)3] (1), [Dy(DMF)2(tffb)3] (2) and [Dy(bpy)2(tfnb)3]·0.5(1,4-dioxane) (3). The metal ions in 1-3 adopt an approximately square-antiprismatic (SAP) coordination environment with D4d axial symmetry. The magnetic properties of 1-3 have been investigated, displaying weak out-of-phase AC signals under a zero-DC field. With an applied DC field of 1200 Oe, the quantum tunnelling of the magnetization was suppressed in 1-3 with the pre-exponential factor τ0 = 5.3 × 10(-7) s and the effective barrier ΔE/kB = 83 K for 1 as well as the pre-exponential factor τ0 = 3.09 × 10(-7) s and the effective barrier ΔE/kB = 39 K for 3. Interestingly, for the frequency dependence of the out-of-phase (χ'') of the AC susceptibility of 2, two slow relaxation of the magnetization processes occurred under the applied magnetic field of 1200 Oe, corresponding to the fast relaxation (FR) phase and slow relaxation (SR) phase, respectively. Arrhenius analysis gave the effective energy barrier (ΔE/kB) of 55 K and the pre-exponential factor (τ0) of 8.23 × 10(-12) for the SR. It is thus very likely that the FR process in complex 2 results from QTM enhanced by dipolar interactions between the Dy ions or the presence of the applied field. The structure-property relationship of some Dy(III) based mononuclear SMMs with the SAP configuration was further discussed.

  18. Definition and evaluation of product configurator development strategies

    DEFF Research Database (Denmark)

    Haug, Anders; Hvam, Lars; Mortensen, Niels Henrik

    2012-01-01

    Product configurators represent one of the most successful applications of artificial intelligence principles. Product configurators are a subtype of software-based expert systems with a focus on the creation of product specifications. The use of product configurators has resulted in many positiv...

  19. TWRS Configuration management program plan

    Energy Technology Data Exchange (ETDEWEB)

    Vann, J.M.

    1996-06-03

    The TWRS Configuration Management Program Plan (CMPP) integrates technical and administrative controls to establish and maintain consistency among requirements, product configuration, and product information for TWRS products during all life cycle phases. This CMPP will be used by TWRS management and configuration management personnel to establish and manage the technical and integrated baselines and controls and status changes to those baselines.

  20. Counterintuitive Behaviors in Configuration Mixing

    CERN Document Server

    Yu, Xiaofei; Robinson, Shadow

    2016-01-01

    By starting with a simple configurations of 2 neutrons in a single j shell we hare able to learn the effects of high lying configurations on physical properties such as nuclear magnetic g factors. Some counterintuitive results are found when both high lying spin orbit partners are allowed to admix with the basic configuration.

  1. Configuring the autism epidemic

    DEFF Research Database (Denmark)

    Christensen, Fie Lund Lindegaard; Seeberg, Jens

    2017-01-01

    Autism has been described as an epidemic, but this claim is contested and may point to an awareness epidemic, i.e. changes in the definition of what autism is and more attention being invested in diagnosis leading to a rise in registered cases. The sex ratio of children diagnosed with autism...... is skewed in favour of boys, and girls with autism tend to be diagnosed much later than boys. Building and further developing the notion of ‘configuration’ of epidemics, this article explores the configuration of autism in Denmark, with a particular focus on the health system and social support to families...... with children diagnosed with autism, seen from a parental perspective. The article points to diagnostic dynamics that contribute to explaining why girls with autism are not diagnosed as easily as boys. We unfold these dynamics through the analysis of a case of a Danish family with autism....

  2. 基于组态设计方法的PLC实验仿真%PLC Experiment Simulation Based on the Designing Method of Configuration

    Institute of Scientific and Technical Information of China (English)

    丘建雄

    2012-01-01

    通过对组态技术特点进行分析,将组态软件用于PLC的实验中,使PLC实验离开实物也能达到仿真效果.本文以3层电梯控制为例,给出了仿真程序流程图和仿真的界面图,并把传统实物实验与PLC仿真实验进行了对比.%Through the analysis of technological characteristics of configuration, configuration software was put into PLC experiment, so the PLC experiment can reach the simulating results without the material objects. Taking the three lift controls for example, the paper provided the flow chart of artificial procedure and the simulating interface picture, and com-pared the traditional experiment with material object and with the PLC artificial experiment.

  3. Fock-space multi-reference coupled-cluster response with the effect of triples on dipole moment of ClO and SF radicals

    Indian Academy of Sciences (India)

    Lalitha Ravichandran; Debarati Bhattacharya; Nayana Vaval; Sourav Pal

    2012-01-01

    Dipole moment calculations of SF and ClO radicals have been carried out using the recently developed partial triples correction to Fock-space multi-reference coupled cluster method. Theoretical calculation of the doublet SF and ClO radicals is useful due to their importance in atmospheric chemistry. The dipole moments of these radicals are extremely sensitive to correlation effects. A brief insight to the way the triples correction has been implemented is presented. We compare the results obtained from our analytic response treatment with that of restricted open Hartree-Fock (ROHF) calculations. Results are presented for both relaxed and non-relaxed approach in the ROHF method. Results suggest the importance of triples corrections. The effects of orbital relaxation are also analysed from the results.

  4. Resolution and Determination of the Absolute Configuration of a Twisted Bis-Lactam Analogue of Troger's Base: A Comparative Spectroscopic and Computational Study

    DEFF Research Database (Denmark)

    Rúnarsson, Ögmundur Vidar; Benkhäuser, Christian; Christensen, Niels Johan;

    2015-01-01

    /6-31G(d,p) level of theory. The absolute configuration of (+)-2 was also determined to (R,R)-2 by anomalous X-ray diffraction (AXRD) in a chiral space group P2(1)2(1)2(1) using Cu-irradiation resulting in a very low Flack parameter of -0.06(3), despite the heaviest element being an oxygen atom, thus...

  5. An Integrated Structure for Supplier Selection and Configuration of Knowledge-Based Networks Using QFD, ANP, and Mixed-Integer Programming Model

    Directory of Open Access Journals (Sweden)

    M. Abbasi

    2013-01-01

    Full Text Available Today’s competitive world conditions and shortened product life cycles have led to the rise of attention towards new product development issue which can guarantee both growth and survival of organizations. The agility of new product development is directed by the efficiency and efficacy of knowledge management skills of an organization. A key issue in thorough success of such networks is the developed knowledge preservation amongst the members. Thus, it is important that reliable relations can be established between the members in order to promote further interactions. To do so, an integrated framework is developed in this paper to configure the new product development network so that sustainable collaborations can be maintained amongst the entities. The proposed framework consists of the network configuration in addition to the supplier selection phase. They are taken into consideration using a biobjective mathematical model in which incurred costs and suppliers' superiority determine the final configuration of the network. Finally, different numerical instances are solved to address the applicability of the proposed model.

  6. 中国联通3G基站及RNC配置模型研究%Research on the Configuration Model of 3G Base Station and RNC of China Unicom

    Institute of Scientific and Technical Information of China (English)

    席向涛; 杨新; 高婷婷

    2014-01-01

    通过对中国联通3G现网数据和用户模型分析,研究出适合当前实际3G用户模型的基站和RNC配置模型,对3G基站和RNC的软硬件资源配置给出了建议,以便更好地适应3G网络建设需求。%It analyzes the actual subscriber model with the operating 3G networks of China Unicom, and discusses the more suitable con-figuration model of 3G base station and RNC on account of the actual subscriber model. At the same time it gives some sug-gestions on the hardware and software configuration of 3G base station and RNC to adapt to the construction demand of 3G networks better.

  7. Study of Software Configuration Management Systems Based on ISO9000 and CMM%基于ISO9000和CMM的软件配置管理系统的研究

    Institute of Scientific and Technical Information of China (English)

    李怀璋; 李明树

    2001-01-01

    Regarding ISO9000 and CMM software quality management as the background, the article mainly studies software configuration management based on Browser/Server environment. Its aim is to realize automated management of document flow and work-flow, and also the record and statistics in the middle course. As a result of it, better project tracking and condition inspection will be made,moreover, and enterprise's capability of mature model and continuous software process improvement will be implemented to a great extent.

  8. Generation Favorable Institutional Configuration Regional Business Environment

    Directory of Open Access Journals (Sweden)

    Natalia Zinovievna Solodilova

    2014-12-01

    Full Text Available This article discusses the theoretical issues of creating an enabling business environment, which is the base platform for the successful development of entrepreneurship in the regions. Provides A definition of a favorable institutional configuration of the regional business environment, which refers to forms of implementing the basic institutions and other regional institutions, taking into account existing regional system of formal and informal interaction between economic actors. States that despite the measures taken, the landscape of the Russian business community in terms of regions, remains uneven, with different indices of investment and business attractiveness, there is differentiation in business conditions in the regions with similar natural and geographical conditions and resource potential, which is primarily determined by , differences in the institutional configuration of the regional business environment and quality of interaction among the business community of the region. Hypothesis about the impossibility of creating a favorable business environment, institutional configurations at the same time in all regions of the country, as well as its limited duration. Conducted theoretical and probabilistic analysis of the parameters of creating an enabling institutional configuration of the business environment in the Russian regions. Grounded approach whereby institutional configuration of regional business environment, may be subject to management and control actions through targeted by the regional authorities can accept the specified (favorable to the business community parameters. The necessity of planning and effective management of a favorable institutional configuration of the business environment by regional authorities to increase the period of its existence.

  9. A new computer program for topological, visual analysis of 3D particle configurations based on visual representation of radial distribution function peaks as bonds

    CERN Document Server

    Metere, Alfredo; Dzugutov, Mikhail

    2015-01-01

    We present a new program able to perform unique visual analysis on generic particle systems: PASYVAT (PArticle SYstem Visual Analysis Tool). More specifically, it can perform a selection of multiple interparticle distance ranges from a radial distribution function (RDF) plot and display them in 3D as bonds. This software can be used with any data set representing a system of particles in 3D. In this manuscript the reader will find a description of the program and its internal structure, with emphasis on its applicability in the study of certain particle configurations, obtained from classical molecular dynamics simulation in condensed matter physics.

  10. Improving the quotation process with product configuration

    DEFF Research Database (Denmark)

    Hvam, Lars; Christensen, Simon Pape

    2006-01-01

    as collaboration between the Centre for Product Modelling at the Technical University of Denmark and a Danish cement plant manufacturer. A pro-cedure for building product models developed by the Centre for Product Modelling was tested empirically at the company during the project. The system was developed from......How can product configuration support the process of engineering highly complex industrial products? This article describes how an IT-based product configuration system was developed to support the process of mak-ing budget quotations. The article is based on a research project carried out...

  11. Improved Interference configuration for structured illumination microscopy

    Science.gov (United States)

    Chen, Houkai; Wei, Shibiao; Wu, Xiaojing; Yang, Yong; Zhang, Yuquan; Du, Luping; Liu, Jun; Zhu, Siwei; Yuan, Xiaocong

    2017-02-01

    We present an improved structured illumination configuration for structured illumination microscopy (SIM) based on spatial light modulator. Precise phase shifts and rotation of illumination fringes can be dynamically controlled using a spatial light modulator. The method is different from the conventional illumination configuration that are based on interference of ±1 diffractive order light. The experimental setup requires less optical elements making it compact, reliable, and suitable for integration. The method has been applied in the standing-wave total internal reflection fluorescent microscopy. High lateral resolution of sub-100 nm was achieved in single directional resolution enhancement experiments.

  12. Code Organization and Configuration Management

    Institute of Scientific and Technical Information of China (English)

    J.P.Wellisch; I.Osborne; 等

    2001-01-01

    Industry experts are increasingly focusing on team productivity on team productivity as the key to success,the base of the team effort is the four-fold structure of software in terms of logical organisation,physical organisation,managerial organisation,and dynamical structure.We describe the ideas put into action within the CMS software for organising software into sub-systems and packages,and to establish configuration management in a multiproject environment.We use a structure that allows to maximise the independence of soft ware development in individual areas,and at the same time emphasises the overwhelming importance of the interdependencies between the packages and components in the system.We comment on release procedures,and describe the inter-relationship between release,development,integration,and testing.

  13. Parking Management System Based on RFID and Configuration Software%基于RFID和组态王的停车场管理系统

    Institute of Scientific and Technical Information of China (English)

    李文华; 刘治翔

    2013-01-01

      介绍了一种可以实现无人值守,远程监测的停车场智能管理系统。将 RFID 技术、自动控制技术、计算机技术及组态软件应用到停车场的管理中,实现对车辆出入控制,停车位远程监测的现代化管理。监控设备、出入口门禁系统和停车位车辆检测器的信号通过RS-485总线与中心管理计算机通信。利用组态软件设计远程监测画面对停车位进行远程监测、调度。%This paper introduces a way to achieve unattended, remote monitoring, smart parking management system. It applies RFID technology, automatic control technology, computer technology and configuration software to the parking lot management, to achieve vehicle access control, remote monitoring of the modern parking management. Signal of monitoring equipment, import and export of vehicles parking access control system communicate with the central management computer via RS-485 Bus. Use the remote monitoring screen designed by configuration software for remote monitoring of parking spaces and scheduling.

  14. ATLAS software configuration and build tool optimisation

    CERN Document Server

    Rybkin, G; The ATLAS collaboration

    2014-01-01

    ATLAS software code base is over 6 million lines organised in about 2000 packages. It makes use of some 100 external software packages, is developed by more than 400 developers and used by more than 2500 physicists from over 200 universities and laboratories in 6 continents. To meet the challenge of configuration and building of this software, the Configuration Management Tool (CMT) is used. CMT expects each package to describe its build targets, build and environment setup parameters, dependencies on other packages in a text file called requirements, and each project (group of packages) to describe its policies and dependencies on other projects in a text project file. Based on the effective set of configuration parameters read from the requirements files of dependent packages and project files, CMT commands build the packages, generate the environment for their use, or query the packages. The main focus was on build time performance that was optimised within several approaches: reduction of the number of re...

  15. ATLAS software configuration and build tool optimisation

    CERN Document Server

    Rybkin, G; The ATLAS collaboration

    2013-01-01

    ATLAS software code base is over 6 million lines organised in about 2000 packages. It makes use of some 100 external software packages, is developed by more than 400 developers and used by more than 2500 physicists from over 200 universities and laboratories in 6 continents. To meet the challenge of configuration and building of this software, the Configuration Management Tool (CMT) is used. CMT expects each package to describe its build targets, build and environment setup parameters, dependencies on other packages in a text file called requirements, and each project (group of packages) to describe its policies and dependencies on other projects in a text project file. Based on the effective set of configuration parameters read from the requirements files of dependent packages and project files, CMT commands build the packages, generate the environment for their use, or query the packages. The main focus was on build time performance that was optimised within several approaches: reduction of the number of re...

  16. Interface configuration stability and interfacial energy for the β″ phase in Al–Mg–Si as examined with a first principles based hierarchical multi-scale scheme

    Energy Technology Data Exchange (ETDEWEB)

    Ehlers, F.J.H., E-mail: flemming.ehlers@ntnu.no [Dept. of Physics, Norwegian University of Science and Technology (NTNU), 7491 Trondheim (Norway); Dumoulin, S. [SINTEF, Materials and Chemistry, 7465 Trondheim (Norway)

    2014-04-05

    Highlights: • Simultaneous determination of precipitate–host lattice interfacial and strain energy. • β″/Al structural interface configuration stability for full coherent interface. • Interfacial energy increase due to subsystem misfit strain effects. • Proposed interfacial energy dependence on chosen precipitate dimensions. -- Abstract: We examine interface configuration stabilities and determine interfacial energies over the full precipitate cross-section for the needle-shaped main hardening phase β″ in the Al–Mg–Si alloy system. Our supercell based studies are performed within the framework of density functional theory, hence providing first principles accuracy for the electronic structure. In addition, each cell is distorted according to information from a hierarchical multi-scale model scheme, implying that also the local ionic structure is mimicked throughout. Making use of the larger structural freedom available compared to an isolated supercell based approach, we propose a modified expression for deriving the interfacial energy. When examined for an average sized β″-Mg{sub 5}Al{sub 2}Si{sub 4} precipitate, this expression provides non-negligible changes to the interfacial energies, exceeding 20% for one interface. We further argue that a full hybrid scheme would likely influence the energies non-negligibly, with a dependence on the precipitate dimensions appearing plausible. Additional modification of the interfacial energy expression for implementation in such a scheme is discussed. Our calculations suggest stability of the structural interface configuration, compatible with a stoichiometric precipitate for the chosen bulk phase composition, over the entire interface.

  17. 基于爱尔兰B表和Excel公式的GSM基站自动配置工具%Auto-configuration tool for GSM BTS based on Erlang B and excel formulas

    Institute of Scientific and Technical Information of China (English)

    潘庆彬

    2012-01-01

    Paper reviewed the traffic theory, and then introduced a tool for GSM BTS configuration. The tool is based on the table of Erlang B and Excel formulas. With this tool, the configuration of mobile network can be completed efficiently and automaticallv.%简要回顾了话务理论。根据爱尔兰B表、Excel公式组合,结合作者的实际工作经验,给出了GSM网络在已知基站配置的情况下,自动计算一个BSC话务量、信道数、载频数、小区数的工具。

  18. Prototype Design of Graphic System Configuration Tool for Intelligent Substation Based on IEC 61850%基于IEC 61850的智能变电站图形化系统配置器原型设计

    Institute of Scientific and Technical Information of China (English)

    苗斌; 童晓阳; 郑永康; 甄威; 刘明忠

    2013-01-01

    In order to implement the system configuration function based on IEC 61850 and strengthen the description for virtual interactive messages among protection intelligent electronic devices (IEDs), a kind of prototype of graphic system configuration tool based on IEC 61850 for substation is studied. Function modules of the system include the main user interface, extensible markup language (XML) analysis and substation configuration language (SCL) syntax verifying modules, as well as three kinds of interactive information configuration modules, i.e. , internal protection logic relationship in a logical node (LN), the coordination logic relationship among LNs in an IED, the virtual interactive messages among LNs of different IEDs. Some toolboxes that include primary electric wiring diagram and secondary equipment configuration are designed. Implementation methods of the key techniques are described, such as drawing and picking of graphic elements, the storage of graphic files with scalable vector graphics (SVG), the graphic configuration of the virtual interactive messages among different IEDs. The main function of prototype graphic configuration system has been implemented. It provides a reference for the configuration development and system testing of intelligent substation.%为了实现基于IEC 61850的系统配置功能,加强对保护智能电子设备(IED)之间虚拟交互消息等的描述,文中研究了一种基于IEC 61850的变电站图形化系统配置器原型系统.该系统包括配置主界面、可扩展置标语言(XML)解析与变电站配置语言(SCL)语法验证模块,以及3类交互信息(逻辑节点(LN)内部保护逻辑、IED内各LN之间的配合逻辑关系、不同IED中相关LN之间的虚拟交互消息)配置图形化界面等模块.设计了一次接线图、二次设备配置等工具箱,给出了图元绘制与拾取、以可缩放矢量图形(SVG)格式存储图形文件、图形化配置不同IED内相关LN之间虚拟交互消

  19. Mastering System Center 2012 Configuration Manager

    CERN Document Server

    Rachui, Steve; Martinez, Santos; Daalmans, Peter

    2012-01-01

    Expert coverage of Microsoft's highly anticipated network software deployment tool The latest version of System Center Configuration Manager (SCCM) is a dramatic update of its predecessor Configuration Manager 2007, and this book offers intermediate-to-advanced coverage of how the new SCCM boasts a simplified hierarchy, role-based security, a new console, flexible application deployment, and mobile management. You'll explore planning and installation, migrating from SCCM 2007, deploying software and operating systems, security, monitoring and troubleshooting, and automating and customizing SCC

  20. Static aeroelastic analysis for generic configuration wing

    Science.gov (United States)

    Lee, IN; Miura, Hirokazu; Chargin, Mladen K.

    1991-01-01

    A static aeroelastic analysis capability that calculates flexible air loads for generic configuration wings was developed. It was made possible by integrating a finite element structural analysis code (MSC/NASTRAN) and a panel code of aerodynamic analysis based on linear potential flow theory. The framework already built in MSC/NASTRAN was used, and the aerodynamic influence coefficient matrix was computed externally and inserted in the NASTRAN by means of a DMAP program. It was shown that deformation and flexible air loads of an oblique wing configuration including asymmetric wings can be calculated reliably by this code both in subsonic and supersonic speeds.

  1. 基于复利法的露天矿山生产设备优化配置%Optimized Configuration of Mechanical Equipment in Open-Pit Mines Based on the Compound Interest Method

    Institute of Scientific and Technical Information of China (English)

    吴长振; 戴剑勇; 杨仕教

    2011-01-01

    Considering the time value of funds, based on the depreciation method of compound interest and the relationship between mine production scale and equipment capacity and actual conditions of mines, the paper solves the optimized configuration problem about the type of main mechanical equipment and the quantity by applying integrated planning and Matlab software at the preliminary scheduling phase. This optimized configuration scheme brings better benefits for mining enterprises and provides a new idea about optimized configuration of equipment in capital construction phase of mine.%考虑到资金使用的时间价值,依据复利法的折旧方式以及矿山生产规模与设备生产能力的关系,结合矿山的实际情况,运用整数规划及Matlab软件解决露天矿山在生产规划阶段主体机械的设备型号、数量选择的优化配置问题,进而使矿山取得较好的经营效益,为基建期的矿山企业优化机械设备提供了一种新思路.

  2. Configurational entropy of glueball states

    Science.gov (United States)

    Bernardini, Alex E.; Braga, Nelson R. F.; da Rocha, Roldão

    2017-02-01

    The configurational entropy of glueball states is calculated using a holographic description. Glueball states are represented by a supergravity dual picture, consisting of a 5-dimensional graviton-dilaton action of a dynamical holographic AdS/QCD model. The configurational entropy is studied as a function of the glueball spin and of the mass, providing information about the stability of the glueball states.

  3. A Software Configuration Management Course

    DEFF Research Database (Denmark)

    Asklund, U.; Bendix, Lars Gotfred

    2003-01-01

    Software Configuration Management has been a big success in research and creation of tools. There are also many vendors in the market of selling courses to companies. However, in the education sector Software Configuration Management has still not quite made it - at least not into the university...... and contents of such a course....

  4. 基于Fisher判别和元胞自动机模型的微电网格局计算方法%An Approach to Calculate Micro-Grid's Configuration Based on Fisher Discriminant and Cellular Automata Model

    Institute of Scientific and Technical Information of China (English)

    王砚帛; 谭永东; 文菓; 杨佳

    2012-01-01

    Based on Fisher discriminant and cellular automata model an approach to calculate the configuration of micro-grid is proposed. The cell space of micro-grid is established and Fisher discriminant is utilized to obtain the macroscopic evolution rules for cell space of micro-grid. According to the diversity of micro-grid user's electricity demands and decision-making uncertainty of power transaction a local evolution rule considering neighbors' relationship is drafted, and a concept of role transition's probability is also proposed. Using Matlab, a model to simulate the time-space dynamic evolution process of micro-grid configuration is built. The availability and effectiveness of the proposed method in the calculation of micro-grid's configuration and in the simulation of time-space dynamic evolution process of micro-grid configuration are verified by simulation results.%基于Fisher判别方法和元胞自动机模型提出了一种微电网格局计算方法.建立了微电网元胞空间,运用Fisher判别方法获取微电网元胞空间的宏观演化规则,并根据微电网用户角色的多样化和电力交易决策的不确定性,制定了考虑领域关系的局部演化规则,提出了角色转化概率的概念.在Matlab环境下建立了仿真算例模拟微电网格局的时空动态演化过程.仿真结果验证了该方法对于微电网格局计算以及模拟微电网格局时空动态演化过程的可行性和有效性.

  5. Optimal Configuration Method for Large-scale Measurement Systems Based on Form Error Uncertainty%基于形状误差不确定度的大尺寸测量系统优化配置方法

    Institute of Scientific and Technical Information of China (English)

    倪爱晶; 郑联语

    2011-01-01

    For large-scale measuring system configuration, the solution to configure measurement systems based on form error uncertainty of measurement task is presented. The point simulation and data fusion from multiple instruments based on Monte Carlo are studied. Based on form error mathematical model, particle swarm optimization method is adopted to solve form error and Monte Carlo method is used to simulate and evaluate form error uncertainty. Finally, the simulation measurement test of a large frame between satellite cabins has been carried out The test results indicated that the proposed method for optimal measurement systems configuration based on form error uncertainty is effective. This method is able to provide a solution guide for rapid shop-floor deployment of large-scale measurement systems.%针对大尺寸测量系统部署问题,提出了面向测量任务的以形状误差不确定度为评价指标的优化配置测量系统的方法.对于基于蒙特卡罗仿真方法的测量点仿真和多测量仪器数据融合进行了研究.在建立形状误差评定模型基础上,提出并实现了基于粒子群算法的形状误差评定模型的求解及基于蒙特卡罗法的形状误差不确定度计算方法.通过某卫星舱段端框的仿真试验,验证了以不确定度为指标进行大尺寸测量系统配置方法的有效性,可为大尺寸测量系统现场快速部署提供方案指导.

  6. Configurations of Time in Bereaved Parents' Narratives.

    Science.gov (United States)

    Barak, Adi; Leichtentritt, Ronit D

    2014-08-01

    In this study, we examined the configurations of time within narratives of bereaved Israeli parents, employing Gadamer's hermeneutic philosophy as the research methodology. Our results reveal that following a sudden violent loss, parents experienced a change in their sense of time. Three nonexclusive time possibilities were evident in the participants' narratives: time stopped, time moved forward, and time moved backward. Although most of the social science literature highlights the importance of linear temporal configuration to enhance the coherence of text, based on our study we call for other forms of temporal ordering, as varied time configurations were used by the bereaved and were perceived to have beneficial outcomes. Finally, we outline implications for mental health professionals.

  7. 基于人体工程学的仿人机械臂构型%Configuration of Humanoid Robotic Arm Based on Human Engineering

    Institute of Scientific and Technical Information of China (English)

    赵京; 宋春雨; 杜滨

    2013-01-01

    针对仿人机械臂构型问题,提出一种新的筛选方法,并确定串联结构方式下最符合人臂特征的仿人机械臂构型.从人体解剖学的角度出发,分析人臂的运动机理,并结合人体测量学和机器人学相关原理构建6种不同的仿人机械臂构型.提出全局相对可操作度指标对不同构型进行灵活性分析,并采用可视化方法绘制出各构型的运动灵活性性能分布图.根据人臂的运动特性分析人臂的运动工作空间,将各构型仿人机械臂工作空间与其对比,从而筛选出串联方式下的最佳仿人机械臂构型.该结果为仿人机械臂的设计提供了理论依据,并为后续运动规划奠定了基础.%A new screening method is proposed in configuring humanoid robotic arm,and a series configuration which is most consistent with the human arm characteristics is constructed The morement mechamnsm of human arm from the point of view of human anatomy is analyzed,and 6 types of humanoid robotic arm combined with the mechanism of anthropometry and robotics are constructed.The global relative manipulability index is put forward,and the dexterity of different types of humanoid robotic arm with this index are analyzed.The visualization method is used to plot the image of dexterous performance distribution.The workspaces of human arm are analyzed,and different types of humanoid robotic arm's workspace with it are contrasted,thereby screening the best type of humanoid robotic arm.The results lay the foundation for humanoid robotic arm design and follow-up study of motion planning.

  8. (re)new configurations

    DEFF Research Database (Denmark)

    Søndergaard, Morten

    2012-01-01

    Whereas many good things can be said about the ability of digital media to facilitate creative transformations the actual reconfiguration that is taking place in the interactive media art field has only been superficially documented and understood. The practice-based innovation and process of ‘re-newing...

  9. Rosette Central Configurations, Degenerate central configurations and bifurcations

    CERN Document Server

    Lei, Jinzhi

    2009-01-01

    In this paper we find a class of new degenerate central configurations and bifurcations in the Newtonian $n$-body problem. In particular we analyze the Rosette central configurations, namely a coplanar configuration where $n$ particles of mass $m_1$ lie at the vertices of a regular $n$-gon, $n$ particles of mass $m_2$ lie at the vertices of another $n$-gon concentric with the first, but rotated of an angle $\\pi/n$, and an additional particle of mass $m_0$ lies at the center of mass of the system. This system admits two mass parameters $\\mu=m_0/m_1$ and $\\ep=m_2/m_1$. We show that, as $\\mu$ varies, if $n> 3$, there is a degenerate central configuration and a bifurcation for every $\\ep>0$, while if $n=3$ there is a bifurcations only for some values of $\\epsilon$.

  10. Synthesis and stereochemical assignments of diastereomeric Ni(II complexes of glycine Schiff base with (R-2-(N-{2-[N-alkyl-N-(1-phenylethylamino]acetyl}aminobenzophenone; a case of configurationally stable stereogenic nitrogen

    Directory of Open Access Journals (Sweden)

    Hiroki Moriwaki

    2014-02-01

    Full Text Available A family of chiral ligands derived from α-phenylethylamine and 2-aminobenzophenone were prepared by alkylation of the nitrogen atom. Upon reaction with glycine and a Ni(II salt, these ligands were transformed into diastereomeric complexes, as a result of the configurational stability of the stereogenic nitrogen atom. Different diastereomeric ratios were observed depending on the substituent R introduced in the starting ligand, and stereochemical assignments were based on X-ray analysis, along with NMR studies and optical rotation measurements.

  11. Relativistic configuration interaction calculation on the ground and excited states of iridium monoxide

    CERN Document Server

    Suo, Bingbing; Han, Huixian

    2014-01-01

    We present the fully relativistic multi-reference configuration interaction calculations of the ground and low-lying excited electronic states of IrO for individual spin-orbit component. The lowest states for four spin-orbit components 1/2, 3/2, 5/2, and 7/2 are calculated intensively to clarify the ground state of IrO. Our calculation suggests that the ground state is of 1/2 spin-orbit component, which is highly mixed with $^4\\Sigma^-$ and $^2\\Pi$ states in $\\Lambda-S$ notation. The two low-lying states of the 5/2 and 7/2 spin-orbit components are nearly degenerate with the ground state and locate only 234 and 260 cm$^{-1}$ above, respectively. The equilibrium bond length 1.712 \\AA \\ and harmonic vibrational frequency 903 cm$^{-1}$ of the 5/2 spin-orbit component are close to the experimental measurement of 1.724 \\AA \\ and 909 cm$^{-1}$, which suggests the 5/2 state should be the low-lying state contributed to spectra in experimental study. Moreover, the electronic states that give rise to the observed trans...

  12. Studying and simulating transformer configuration to improve power quality

    Directory of Open Access Journals (Sweden)

    Oscar J. Peña Huaringa

    2011-07-01

    Full Text Available This paper presents a study and simulation of transformer configurations to improve power quality; it provides theoretical support based on the expansion of the Fourier series and analysis of symmetrical components. A test system was set up in the laboratory, taking measurements and checking configuration effectiveness in reducing the system’s harmonic content. The configurations were modelled with PSCAD / EMTDC software, using two 6 pulse rectifiers as test loads and two variable speed drives.

  13. Introducing LoCo, a Logic for Configuration Problems

    CERN Document Server

    Aschinger, Markus; Gottlob, Georg; 10.4204/EPTCS.65.4

    2011-01-01

    In this paper we present the core of LoCo, a logic-based high-level representation language for expressing configuration problems. LoCo shall allow to model these problems in an intuitive and declarative way, the dynamic aspects of configuration notwithstanding. Our logic enforces that configurations contain only finitely many components and reasoning can be reduced to the task of model construction.

  14. Introducing LoCo, a Logic for Configuration Problems

    Directory of Open Access Journals (Sweden)

    Markus Aschinger

    2011-08-01

    Full Text Available In this paper we present the core of LoCo, a logic-based high-level representation language for expressing configuration problems. LoCo shall allow to model these problems in an intuitive and declarative way, the dynamic aspects of configuration notwithstanding. Our logic enforces that configurations contain only finitely many components and reasoning can be reduced to the task of model construction.

  15. Direct photoisomerization of CH2I2vs. CHBr3 in the gas phase: a joint 50 fs experimental and multireference resonance-theoretical study.

    Science.gov (United States)

    Borin, Veniamin A; Matveev, Sergey M; Budkina, Darya S; El-Khoury, Patrick Z; Tarnovsky, Alexander N

    2016-10-19

    Femtosecond transient absorption measurements powered by 40 fs laser pulses reveal that ultrafast isomerization takes place upon S1 excitation of both CH2I2 and CHBr3 in the gas phase. The photochemical conversion process is direct and intramolecular, i.e., it proceeds without caging media that have long been implicated in the photo-induced isomerization of polyhalogenated alkanes in condensed phases. Using multistate complete active space second order perturbation theory (MS-CASPT2) calculations, we investigate the structure of the photochemical reaction paths connecting the photoexcited species to their corresponding isomeric forms. Unconstrained minimum energy paths computed starting from the S1 Franck-Condon points lead to S1/S0 conical intersections, which directly connect the parent CHBr3 and CH2I2 molecules to their isomeric forms. Changes in the chemical bonding picture along the S1/S0 isomerization reaction path are described using multireference average coupled pair functional (MRACPF) calculations in conjunction with natural resonance theory (NRT) analysis. These calculations reveal a complex interplay between covalent, radical, ylidic, and ion-pair dominant resonance structures throughout the nonadiabatic photochemical isomerization processes described in this work.

  16. 多参考光合成孔径DMIPH术的细胞相位重构%Reconstruction of cell phase by multi-reference light synthetic aperture digital microsopic image plane holographic technology

    Institute of Scientific and Technical Information of China (English)

    巩文迪; 卢兆林; 刘佳毅

    2012-01-01

    Digital holographic microscopy (DHM) extracts the phase information directly instead of traditional optical microscopy, and records high frequency and low frequency information of an object more accurately. Based on DHM, cell phase was reconstructed by means of angular spectrum algorithm and least-squares unwrapping algorithm. Quantitative observation and effective measurement were earned out for living biological sample cells. The experiment results indicates that multi-reference light synthetic aperture digital microscopic image plane holography can be effectively applied to the amplitude and phase reconstruction of the microstructures of three-dimension objects, it can improve synthetic degree of system significantly in recording the object' s high frequency and low frequency information, and the diffraction limit resolution 12. 81p/mm can be obtained. The results show that super resolution imaging of digital holographic can be effectively implemented based on this system, and three-dimension topography information and accurate phase distribution of the microstructure cells can be obtained.%为了克服传统光学显微术无法直接提取相位信息的不足而能更准确记录物体高频和低频信息的合成,采用多参考光合成孔径数字显微像面全息系统,并结合角谱算法和最小二乘解包裹算法实现了细胞的相位重构.选取活体细胞组织等相位型生物进行作为实验样本,对其进行定量观察和有效测量.结果表明,多参考光合成孔径数字显微像面全息系统可以有效地应用于3维物体显微结构的振幅和相位重构,能显著地提高记录系统的高频和低频信息在全息图上的合成度,并实现超出系统的衍射极限12.81p/mm的分辨率.该系统可以有效地实现数字全息系统的超分辨率成像,从而获得细胞显微结构的3维形貌信息和准确的相位分布.

  17. SAMI Automated Plug Plate Configuration

    CERN Document Server

    Lorente, Nuria P F; Goodwin, Michael

    2012-01-01

    The Sydney-AAO Multi-object Integral field spectrograph (SAMI) is a prototype wide-field system at the Anglo-Australian Telescope (AAT) which uses a plug-plate to mount its 13 x 61-core imaging fibre bundles (hexabundles) in the optical path at the telescope's prime focus. In this paper we describe the process of determining the positions of the plug-plate holes, where plates contain three or more stacked observation configurations. The process, which up until now has involved several separate processes and has required significant manual configuration and checking, is now being automated to increase efficiency and reduce error. This is carried out by means of a thin Java controller layer which drives the configuration cycle. This layer controls the user interface and the C++ algorithm layer where the plate configuration and optimisation is carried out. Additionally, through the Aladin display package, it provides visualisation and facilitates user verification of the resulting plates.

  18. Configuration Spaces in Fundamental Physics

    CERN Document Server

    Anderson, Edward

    2015-01-01

    I consider configuration spaces for $N$-body problems, gauge theories and for GR in both geometrodynamical and Ashtekar variables forms, including minisuperspace and inhomogeneous perturbations thereabout in the former case. These include many interesting spaces of shapes (with and without whichever of local or global notions of scale). In considering reduced configuration spaces, stratified manifolds arise. Three strategies to deal with these are `excise', `unfold' and `accept'. I show that spaces of triangles arising from various interpretations of 3-body problems already serve as model arena for all three. I furthermore argue in favour of the `accept' strategy on relational grounds. Sheaf methods then become relevant in this case, as does the stratifold construct that pairs some well-behaved stratified manifolds with sheaves. I apply arguing against `excise' and `unfold' to GR's superspace and thin sandwich, and to the removal of collinear configurations in mechanics. Non-redundant configurations are also ...

  19. Predicted configurations of oligosaccharide extensions in the lipooligosaccharide of nontypeable Haemophilus influenzae isolates.

    Science.gov (United States)

    McCrea, Kirk W; Xie, Jingping; Daniel, Deborah; Ulrich-Lewis, Justin Theophilus; Zhang, Lixin

    2014-07-01

    Lipooligosaccharide configurations were predicted in nontypeable Haemophilus influenzae isolates based on the presence of seven oligosaccharide extension-initiating genes (or alleles). Predicted configurations with 2 to 3 oligosaccharide extensions were more prevalent among middle ear than throat strains. In addition, strains with these configurations averaged higher levels of serum resistance than strains with other configurations.

  20. Ultrasound-Modulated Optical Tomography in Reflective and Coaxial Configuration

    Institute of Scientific and Technical Information of China (English)

    傅洪波; 邢达; 曾亚光; 王毅; 陈群

    2003-01-01

    Ultrasound-modulated optical tomography affords a very promising noninvasive imaging method for biomedical diagnosis. With this technique, an ultrasound beam is focused into a scattering medium to provide an accurate localization and, simultaneously, a modulation of laser light inside the medium. Based on the high-sensitivity detection technique, we have developed a unique reflective configuration, which was more convenient and practical than other existing configurations. Furthermore, the configuration also introduced a new scheme to improve the spatial resolution in the imaging. A phantom was imaged to validate the feasibility of the proposed configuration.

  1. A classification of strategies for the development of product configurators

    DEFF Research Database (Denmark)

    Haug, Anders; Hvam, Lars; Mortensen, Niels Henrik

    2009-01-01

    Product configurators are a subtype of software-based expert systems with a focus on the creation of product specifications. Product configurators are increasingly being applied by engineering-oriented companies, which has resulted in many positive effects, such as reduced lead times, fewer errors...

  2. Control Configuration Selection for Multivariable Descriptor Systems

    DEFF Research Database (Denmark)

    Shaker, Hamid Reza; Stoustrup, Jakob

    2012-01-01

    is needed to be controlled, is either in the descriptor form or can be represented in the descriptor form. Singular systems and the differential algebraic equation (DAE) systems are among these systems. Descriptor systems appear in the variety of fields to describe the practical processes ranging from power...... systems, hydraulic systems to heat transfer, and chemical processes. The focus of this paper is on the problem of control configuration selection for multivariable descriptor systems. A gramian-based interaction measure for control configuration selection of such processes is described in this paper....... The proposed MIMO interaction measure is the extension of its gramian-based analogous counterpart, which has been proposed for the input–output pairing as well as for the controller architecture selection of the processes with the standard state-space form. The main advantage of this interaction measure...

  3. Study of Component-Based Software Configuration Management Technologies%基于构件的软件配置管理技术研究

    Institute of Scientific and Technical Information of China (English)

    张路; 谢冰; 梅宏; 邵维忠; 杨芙清

    2001-01-01

    本文分析了基于构件的软件开发对配置管理技术的需求,提出了基于构件的软件配置管理系统模型,并介绍了一个基于该模型的系统,讨论了系统中的管理策略和关键技术.%The requirements for software configurationmanagement(SCM)technologies in component-based software development are studied,and the component-based SCM system model has been proposed,which can satisfy the requirements.In this paper,an SCM system based on this model is introduced,and the management strategies and key techniques of the system are discussed.

  4. Design and implementation of the configuration system of cluster job scheduling policy based on ExtJs%基于ExtJs的集群作业调度策略配置系统的设计与实现

    Institute of Scientific and Technical Information of China (English)

    王小龙; 刘光明; 赵志威

    2015-01-01

    Based on ExtJs framework, using javabean, jsp and open source database Mysql, this pa-per has designed and implemented a configuration system of cluster job scheduling policy aim at the com-plexity and fallibility of the scheduling policy configuration of PBS in order to reap the cluster perform-ance. This paper sovled the technical problems such as the selection of controls for chosen scheduling policy, the combination of front-end process and back-end process for the input parameters verifica-tion, the generation of scheduling policy combinations in the interface file, user information paged-dis-play , focusing on the implementation of remote configuration and automatic generation of sophisticated job-scheduling policies. The system’ s major modules design idea, the core function and their implementa-tion method are introduced in detail. The running results show that the system improves the efficiency of the scheduling policy configuration work of high performance computing clusters adopting PBS, improve the accuracy of sophisticated job-scheduling policies generated.%为充分发挥集群系统的性能,针对PBS调度模块配置调度策略工作繁复、易于出错的问题,该文基于ExtJs框架,采用javabean、jsp、Mysql等技术设计并实现了一种集群作业调度策略配置系统。该系统解决了针对选定辅助策略的控件选取、输入参数的前后台联合校验、针对接口文件的组合调度策略生成、用户数据的分页显示等技术问题,重点实现了PBS的组合调度策略的远程配置及自动生成的功能。详细介绍了系统主要模块的设计思路、核心功能及实现方法。运行结果表明,该系统能够有效提高使用PBS的高性能计算集群的调度策略配置工作的效率,提高生成的较复杂的调度策略的正确率。

  5. Simulation of the Polymeric Flows Using Finite Volume Method Based on Brownian Configuration Fields%基于Brown构形场的有限体积法在聚合物流动模拟中的应用

    Institute of Scientific and Technical Information of China (English)

    代向艳; 欧阳洁; 张小华; 苏进

    2011-01-01

    本文基于微观-宏观方法,提出了模拟聚合物流动的FVMBCF (Finite Volume Method Based on Brownian Configuration Fields)方法.为了验证该方法的有效性和计算结果的可靠性,基于Hooke哑铃模型,模拟了平面Poiseuille流动;同时,基于Hooke、FENE及FENE-P哑铃模型,模拟了突然起动的平板Couette流动,并将由FENE和FENE-P哑铃模型得到的模拟结果进行了比较分析.该方法在宏观尺度上用有限体积法求解守恒方程,微观尺度上直接从粗粒状分子模型出发,通过连续构形场的系综平均来计算应力,从而避开了需要封闭宏观方程的本构方程,也避免了追踪单个粒子轨道;该方法还具有计算效率高、稳定性强、对流项处理较简单等优点.%In this paper, the computation of polymeric flows using FVMBCF (Finite Volume Method Based on Brownian Configuration Fields) is presented based on a micro-macro approach. This method is verified and its capability is demonstrated with the planar Poiseuille flow for Hookean dumbbell models. Meantime, the time development of the planar Couette flow is studied for three molecular kinetic models with Hookean, FENE and FENE-P dumbbell models. The comparison between the FENE and FENE-P models in planar Couette start-up flows are discussed. This method couples the conservation equation at the macroscopic level with a stochastic simulation method, where the stress is computed from an ensemble of continuous configuration fields at the microscopic level based on the coarse-grained molecular models. Accordingly, this method requires neither closed-form constitutive equations nor particle tracking. In addition, this method is efficient and stable. Moreover, it is convenient to dealing with the convective term.

  6. Bethe's quantum numbers and rigged configurations

    Directory of Open Access Journals (Sweden)

    Anatol N. Kirillov

    2016-04-01

    Full Text Available We propose a method to determine the quantum numbers, which we call the rigged configurations, for the solutions to the Bethe ansatz equations for the spin-1/2 isotropic Heisenberg model under the periodic boundary condition. Our method is based on the observation that the sums of Bethe's quantum numbers within each string behave particularly nicely. We confirm our procedure for all solutions for length 12 chain (totally 923 solutions.

  7. [superscript 1]H NMR Spectroscopy-Based Configurational Analysis of Mono- and Disaccharides and Detection of ß-Glucosidase Activity: An Undergraduate Biochemistry Laboratory

    Science.gov (United States)

    Periyannan, Gopal R.; Lawrence, Barbara A.; Egan, Annie E.

    2015-01-01

    A [superscript 1]H NMR spectroscopy-based laboratory experiment explores mono- and disaccharide structural chemistry, and the enzyme-substrate specificity of glycosidic bond cleavage by ß-glucosidase towards cellobiose (ß-linked gluco-disaccharide) and maltose (a-linked gluco-disaccharide). Structural differences between cellobiose, maltose, and…

  8. 基于LabVIEW的牵引逆变器测试参数动态配置方法%A Method of Measurement Parameters Progeammatically Configuring for Traction Inverter Based on LabVIEW

    Institute of Scientific and Technical Information of China (English)

    陈明奎; 谭利红

    2011-01-01

    研究了一种在LabVIEW环境中实现测试参数动态配置的方法,重点阐述了实现测试界面上参数动态修改的方法.该方法中运用VI引用、属性节点调用、控件引用索引、引用的特定类转换等LabVIEW高级编程技术.测试系统中加入了动态参数配置模块,扩大了软件的适用范围,有利于软件的模块化和复用.%A method of measurement parameters programmatically configuring based on LabVIEW was introduced. The technique of modifying measurement paramerter in human machine interface was discussed in detail, in which many advanced programming techniques. for example, applying VI reference, property node calling, controls references indexing, genetic referece converting to specific reference, were applied The module of measurement parameters programmatically configuring in measurement system extended the software's suitable scope and is beneficial to software's modularzation and reuse.

  9. A Design of Configurable Graphic Transmission System based on FC-AV%一种基于FC-AV的可配置图像传输系统设计

    Institute of Scientific and Technical Information of China (English)

    杨可

    2016-01-01

    Aiming at the requirment of multiple formats graphic transmission in avionics system, we design a configurable graph-ic transmission sytem based on FC-AV. First analyse the container system of FC-AV, then describe the key technologies of graph-ic transmission. On the basis of analysis and calculation of graphic transmission demand, we introduce the architecture of config-urable graphic transmission system, this provides reference for similar long distance graphic transmission application.%针对航电系统中多种格式图像传输的要求,设计了一种基于FC-AV的可配置图像传输系统。首先分析了FC-AV协议的容器系统,然后描述了图像传输的关键技术。在对图像传输需求进行分析和计算的基础上,介绍了可配置图像传输系统的架构,为同类图像远距离传输应用提供了借鉴的解决方案。

  10. Configuration interaction studies on the spectroscopic properties of PbO including spin orbit coupling

    Institute of Scientific and Technical Information of China (English)

    罗旺; 李瑞; 盖志强; 艾瑞波; 张宏民; 张晓美; 闫冰

    2016-01-01

    Lead oxide (PbO), which plays the key roles in a range of research fields, has received a great deal of attention. Owing to the large density of electronic states and heavy atom Pb including in PbO, the excited states of the molecule have not been well studied. In this work, high level multireference configuration interaction calculations on the low-lying states of PbO have been carried out by utilizing the relativistic effective core potential. The effects of the core-valence correlation correction, the Davidson modification, and the spin–orbital coupling on the electronic structure of the PbO molecule are estimated. The potential energy curves of 18Λ-S states correlated to the lowest dissociation limit (Pb (3Pg)+O(3Pg)) are reported. The calculated spectroscopic parameters of the electronic states below 30000 cm−1, for instance, X1Σ+, 13Σ+, and 13Σ−, and their spin–orbit coupling interaction, are compared with the experimental results, and good agreements are derived. The dipole moments of the 18Λ-S states are computed with the configuration interaction method, and the calculated dipole moments of X1Σ+and 13Σ+are consistent with the previous experimental results. The transition dipole moments from 11Π, 21Π, and 21Σ+to X1Σ+and other singlet excited states are estimated. The radiative lifetime of several low-lying vibrational levels of 11Π, 21Π, and 21Σ+states are evaluated.

  11. Configuration interaction studies on the spectroscopic properties of PbO including spin-orbit coupling

    Science.gov (United States)

    Wang, Luo; Rui, Li; Zhiqiang, Gai; RuiBo, Ai; Hongmin, Zhang; Xiaomei, Zhang; Bing, Yan

    2016-07-01

    Lead oxide (PbO), which plays the key roles in a range of research fields, has received a great deal of attention. Owing to the large density of electronic states and heavy atom Pb including in PbO, the excited states of the molecule have not been well studied. In this work, high level multireference configuration interaction calculations on the low-lying states of PbO have been carried out by utilizing the relativistic effective core potential. The effects of the core-valence correlation correction, the Davidson modification, and the spin-orbital coupling on the electronic structure of the PbO molecule are estimated. The potential energy curves of 18 Λ-S states correlated to the lowest dissociation limit (Pb (3Pg) + O(3Pg)) are reported. The calculated spectroscopic parameters of the electronic states below 30000 cm-1, for instance, X1Σ+, 13Σ+, and 13Σ-, and their spin-orbit coupling interaction, are compared with the experimental results, and good agreements are derived. The dipole moments of the 18 Λ-S states are computed with the configuration interaction method, and the calculated dipole moments of X1Σ+ and 13Σ+ are consistent with the previous experimental results. The transition dipole moments from 11Π, 21Π, and 21Σ+ to X1Σ+ and other singlet excited states are estimated. The radiative lifetime of several low-lying vibrational levels of 11Π, 21Π, and 21Σ+ states are evaluated. Project supported by the National Natural Science Foundation of China (Grant Nos. 11404180 and 11574114), the Natural Science Foundation of Heilongjiang Province, China (Grant No. A2015010), the University Nursing Program for Young Scholars with Creative Talents in Heilongjiang Province, China (Grant No. UNPYSCT-2015095), and the Natural Science Foundation of Jilin Province, China (Grant No. 20150101003JC).

  12. Ringed accretion disks: equilibrium configurations

    CERN Document Server

    Pugliese, D

    2015-01-01

    We investigate a model of ringed accretion disk, made up by several rings rotating around a supermassive Kerr black hole attractor. Each toroid of the ringed disk is governed by the General Relativity hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. Properties of the tori can be then determined by an appropriately defined effective potential reflecting the background Kerr geometry and the centrifugal effects. The ringed disks could be created in various regimes during the evolution of matter configurations around supermassive black holes. Therefore, both corotating and counterrotating rings have to be considered as being a constituent of the ringed disk. We provide constraints on the model parameters for the existence and stability of various ringed configurations and discuss occurrence of accretion onto the Kerr black hole and possible launching of jets from the ringed disk. We demonstrate that various ringed disks can be characterized by a maximum number of rings. We pr...

  13. Remote Configuration Monitoring of Autonomous Information Processing Machine on LAN.

    Directory of Open Access Journals (Sweden)

    Hema Thomas

    2014-04-01

    Full Text Available Remote Information Configuration is advanced software for capturing automatically the configuration of Computers available in the LAN. The software will collect all the configuration of computers in the network and store the information in the Data Base. The configuration such as the Processor, Memory such as RAM and Hard Disk, System Software and Application software installed will be captured from remote and stored in the Data Base with the timestamp. Any change in the configuration will be captured on time to time basis and updated; this will bring in a change management control of the components. Provision for manual recording of owner of the computer asset and location details will be provided for Asset Management. This module will also include the process of allotment of asset, removal of asset, re-allotment of asset, new asset request management, asset procurement planning.

  14. Instance-specific algorithm configuration

    CERN Document Server

    Malitsky, Yuri

    2014-01-01

    This book presents a modular and expandable technique in the rapidly emerging research area of automatic configuration and selection of the best algorithm for the instance at hand. The author presents the basic model behind ISAC and then details a number of modifications and practical applications. In particular, he addresses automated feature generation, offline algorithm configuration for portfolio generation, algorithm selection, adaptive solvers, online tuning, and parallelization.    The author's related thesis was honorably mentioned (runner-up) for the ACP Dissertation Award in 2014,

  15. Product Configuration Systems and Productivity

    DEFF Research Database (Denmark)

    Pedersen, Jørgen Lindgaard; Edwards, Kasper

    2004-01-01

    Twelve companies have been interviewed with the purpose to get information about technical, economic and organisational matters in respect of Product Configuration Systems (PCS).Combinations of qualitative interviews and quantitative scoring have been used in ranking expected and realized results...... from implementing PCS. The three highest aggregated scoring expected benefits are: 1)improved quality in specifications, 2)lower turnaround time, 3)less resource intensity.......Twelve companies have been interviewed with the purpose to get information about technical, economic and organisational matters in respect of Product Configuration Systems (PCS).Combinations of qualitative interviews and quantitative scoring have been used in ranking expected and realized results...

  16. Electronic Configuration of Yb Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Temmerman, W.M.; Szotek, Z. [Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, Cheshire (United Kingdom); Svane, A. [Institute of Physics and Astronomy, University of Aarhus, DK-8000 Aarhus C (Denmark); Strange, P. [Physics Department, Keele University, Keele, Staffordshire, ST5 5BG (United Kingdom); Winter, H. [INFP, Forschungszentrum Karlsruhe GmbH, Postfach 3640, D-76021 Karlsruhe (Germany); Delin, A.; Johansson, B.; Eriksson, O.; Fast, L. [Condensed Matter Theory Group, Department of Physics, University of Uppsala, Box 530, 75121 Uppsala (Sweden); Wills, J.M. [Center of Materials Science and Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87544 (United States)

    1999-11-01

    The total energy differences between divalent and trivalent configurations of Yb ions in a number of Yb compounds are studied. Two different band theoretical methods, which differ in the treatment of the localized f electrons, are used. The results show that in all Yb compounds the valence energy differences are equal to the energy needed to localize an f electron. These valence energy differences correlate with the number of f electrons hybridizing with the conduction bands in the trivalent configuration. For divalent YbS, the pressure induced f -electron delocalization implies an intermediate valency, as also indicated by experiment. {copyright} {ital 1999} {ital The American Physical Society }

  17. The role of atomic excited states of Au on N2O capture and activation: a multireference second-order perturbation theory study.

    Science.gov (United States)

    Olvera-Neria, Oscar; Bertin, Virineya; Poulain, Enrique

    2010-12-28

    Nitrous oxide (N(2)O) is an intermediate compound formed during catalysis occurring in automobile exhaust pipes. Atomic Au in its ground state is unable to react with N(2)O, however, several Au excited states are bound to N(2)O, but not all of these states are able to activate N(2)O bonds. In this work, N(2)O capture and activation by a single Au atom are studied considering Au in the ground and excited states with multiplicities = 2, 4 and 6. The Au + N(2)O reactions are studied at multireference second-order perturbation level of theory using C(s) symmetry. The AuN(2)O ((4)A', (4)A'', (6)A' and (6)A'') adducts are spontaneously created from Au excited states. From these complexes, only the (4)A', (6)A' and (6)A'' states exhibit N(2)O activation reaction paths yielding N(2,) NO and O atoms as end products when N(2)O approaches Au excited states side-on. Cations both ground and excited states, capture N(2)O although only the Au(+) ((5)A') + N(2)O ((1)Σ(+)) → NAuNO(+) ((5)A') reaction (for the end-on and side-on approaches) shows N(2)O activation with N-N bond breaking. In the case of Au anions, the ground state and most of the excited states capture N(2)O and activation takes place according to Au(-) ((3)A', (5)A', (5)A'') + N(2)O ((1)Σ(+)) → AuO(-) ((3)A', (5)A', (5)A'') + N(2)(g) for the N(2)O end-on approach by the oxygen atom. The reaction paths show a metal-gas dative covalent bonding character. Mulliken charge population analysis obtained for the active states shows that the binding is done through charge donation and retro-donation between the metal and the N(2)O molecule.

  18. Design and Implementation of General Data Import Based on Configuration File%基于配置文件的通用数据导入设计与实现

    Institute of Scientific and Technical Information of China (English)

    王春刚

    2011-01-01

    数据导入操作是实现不同系统间数据交换的重要环节,本文利用配置文件实现异构数据的灵活导入,解决面向具体应用的问题.在综合教务管理信息系统中的成功应用验证了该方法的有效性.%Data import is key to data exchange between systems. The design based on configuration file can implicate heterogeneous data import and solve the problems of special application-oriented. The success of applying this method into the comprehensive teaching and administration system proves that it is effective.

  19. GEODSS Present Configuration and Potential

    Science.gov (United States)

    2014-06-28

    1. REPORT DATE 28 JUN 2014 2. REPORT TYPE 3. DATES COVERED 00-00-2014 to 00-00-2014 4. TITLE AND SUBTITLE GEODSS Present Configuration and...provides improved resolution and radiometric throughput at low elevation angles versus a single fisheye optical strategy. Both optical systems are

  20. Kramers Pairs in configuration interaction

    DEFF Research Database (Denmark)

    Avery, John Scales; Avery, James Emil

    2003-01-01

    The theory of symmetry-preserving Kramers pair creation operators is reviewed and formulas for applying these operators to configuration interaction calculations are derived. A new and more general type of symmetry-preserving pair creation operator is proposed and shown to commute with the total...

  1. Warehouse Simulation Through Model Configuration

    NARCIS (Netherlands)

    Verriet, J.H.; Hamberg, R.; Caarls, J.; Wijngaarden, B. van

    2013-01-01

    The pre-build development of warehouse systems leads from a specific customer request to a specific customer quotation. This involves a process of configuring a warehouse system using a sequence of steps that contain increasingly more details. Simulation is a helpful tool in analyzing warehouse desi

  2. NCCDS configuration management process improvement

    Science.gov (United States)

    Shay, Kathy

    1993-01-01

    By concentrating on defining and improving specific Configuration Management (CM) functions, processes, procedures, personnel selection/development, and tools, internal and external customers received improved CM services. Job performance within the section increased in both satisfaction and output. Participation in achieving major improvements has led to the delivery of consistent quality CM products as well as significant decreases in every measured CM metrics category.

  3. Bayesian image restoration, using configurations

    DEFF Research Database (Denmark)

    Thorarinsdottir, Thordis

    configurations are expressed in terms of the mean normal measure of the random set. These probabilities are used as prior probabilities in a Bayesian image restoration approach. Estimation of the remaining parameters in the model is outlined for salt and pepper noise. The inference in the model is discussed...

  4. Bayesian image restoration, using configurations

    DEFF Research Database (Denmark)

    Thorarinsdottir, Thordis Linda

    2006-01-01

    configurations are expressed in terms of the mean normal measure of the random set. These probabilities are used as prior probabilities in a Bayesian image restoration approach. Estimation of the remaining parameters in the model is outlined for the salt and pepper noise. The inference in the model is discussed...

  5. Sustainable supply chain design: a configurational approach.

    Science.gov (United States)

    Masoumik, S Maryam; Abdul-Rashid, Salwa Hanim; Olugu, Ezutah Udoncy; Raja Ghazilla, Raja Ariffin

    2014-01-01

    Designing the right supply chain that meets the requirements of sustainable development is a significant challenge. Although there are a considerable number of studies on issues relating to sustainable supply chain design (SSCD) in terms of designing the practices, processes, and structures, they have rarely demonstrated how these components can be aligned to form an effective sustainable supply chain (SSC). Considering this gap in the literature, this study adopts the configurational approach to develop a conceptual framework that could configure the components of a SSC. In this respect, a process-oriented approach is utilized to classify and harmonize the design components. A natural-resource-based view (NRBV) is adopted to determine the central theme to align the design components around. The proposed framework presents three types of SSC, namely, efficient SSC, innovative SSC, and reputed SSC. The study culminates with recommendations concerning the direction for future research.

  6. Fingerprinting Mobile Devices Using Personalized Configurations

    Directory of Open Access Journals (Sweden)

    Kurtz Andreas

    2016-01-01

    Full Text Available Recently, Apple removed access to various device hardware identifiers that were frequently misused by iOS third-party apps to track users. We are, therefore, now studying the extent to which users of smartphones can still be uniquely identified simply through their personalized device configurations. Using Apple’s iOS as an example, we show how a device fingerprint can be computed using 29 different configuration features. These features can be queried from arbitrary thirdparty apps via the official SDK. Experimental evaluations based on almost 13,000 fingerprints from approximately 8,000 different real-world devices show that (1 all fingerprints are unique and distinguishable; and (2 utilizing a supervised learning approach allows returning users or their devices to be recognized with a total accuracy of 97% over time

  7. 基于拓扑构型的地毯图案生成方法%A Generation Method of Carpet Pattern Based on Topology Configuration

    Institute of Scientific and Technical Information of China (English)

    赵海英; 彭宏; 杨一帆; 徐正光

    2013-01-01

    Traditional fabric patterns generally contain certain basic elements which are characteristically distributed. However, the existing pattern generation methods based on characteristics and examples preserve neither the integrity of elements and structures in pattern, nor the information of styles and levels, such as distribution characteristics. Thus, taking Xinjiang carpet design as an example, an auto-generating method of patterns based on topological structure is presented. By interactively identifying patterns with different perception layers to serve as templates and extracting elements of the same class accurately by template-matching algorithm, pattern topological structure is generated. Then, appropriate patterns are extracted after the design of selection rules. Finally, the matrix mark method is used to embed the pattern. The experimental results show that the method not only solves the overlapping problem of pattern elements, but also generates beautifully-layered patterns that can express the composition, element image and color of the fabric prints, which can meet the design requirements of style inheritance.%传统的织物图案中通常包含按一定特征分布的基本元素,而现有基于特征和实例的图案生成方法难以保持图案中基本纹样元素与结构特征的完整性以及分布特征等基于风格层次的信息.文中以新疆地毯图案为例,提出一种基于拓扑构型的图案自动生成方法.将交互标识出的不同感知层的图案元素作为模板,并约束模板匹配算法较准确地提取同类图案元素,生成图案拓扑构型;再设计选择规则,提取合适的图案纹样.最后利用所提出的标识矩阵法进行纹样嵌图,结果表明,该方法不仅解决了图案元素重叠的问题,而且能生成体现织物图案的构图、元素形象和色彩的具有层次美感的图案,满足风格传承的设计要求.

  8. Construction of Agricultural Water Rights Configuration Program Based on the Perspective of Legal Procedure%基于法律程序视野中的农业水权配置程序构建

    Institute of Scientific and Technical Information of China (English)

    郭莉

    2013-01-01

    Agricultural water rights is paid enough attention to in recent years,while relevant theoretical study was thin.Besides keeping a substantive and technical eye on agricultural water rights,it is essential to focus on the procedure.Based on the perspective of legal procedure,the author conducted a theoretical analysis on agricultural water rights configuration and proposed the procedural design.And reviewed from the following three aspects:1) the program frame of agricultural water rights configuration should guard right restriction power,promote the communication of power and rights,so as to achieve benign interaction of them.The agricultural water rights configuration should include three fundamental philosophies,which are dialogue,restriction and trust; 2) Legal protection procedure in various stages should be designed according to the agricultural water rights configuration; 3) Several problems are needed to recognize deeply.Agricultural water rights configuration is a long-term complex systems engineering,need various domain experts' cooperation and track management in the whole lifecycle from links of systematic planning,periodical program implementation,post-evaluation and revise.In this process,legal procedure guard is also needed.%农业水权制度近年来倍受国家重视,而相关理论研究较为薄弱.除了给予实体性、技术性的关注之外,必须加以程序性的关注.基于法律程序的视角,对农业水权配置进行了理论分析,并提出了程序性的设计.从三方面进行了论述:1)农业水权配置的程序框架应当是保障权利制约权力、促进权力与权利的对话并由此达成二者之间共信的良性互动的模式,农业水权配置应包括对话、制约、共信三个基本理念;2)根据农业水权配置的不同阶段,设计各个阶段的法律保障程序;3)提出今后需深化认识的几个问题.农业水权配置是一项长期、复杂的系统工程,需各领域专家

  9. Life Cycle Cost Based Optimal Configuration of Battery Energy Storage System in Distribution Network%基于全寿命周期成本的配电网蓄电池储能系统的优化配置

    Institute of Scientific and Technical Information of China (English)

    向育鹏; 卫志农; 孙国强; 孙永辉; 沈海平

    2015-01-01

    The battery energy storage system (BESS) is of such merits as high efficiency, long service life and adaptability to geographical conditions, besides its rated capacity and rated power can be configured independently. Taking the optimized total net proceeds of BESS in distribution network within its life cycle as the objective, the configuration of the battery in distribution network and the optimization of charging/ discharging values in different time intervals are researched while such factors as income of arbitrage, income from government’s feed-in tariff, reducing power wheeling cost, deferring facility upgrades and life cycle cost (LCC) are synthetically considered. A hybrid optimization model of configuring BESS is established, and a hybrid algorithm based on differential evolution (DE) and predictor-corrector interior point method (PCIPM) is put forward to solve this model. Finally, the configurations and net proceeds of sodium sulfur (NAS) battery, vanadium redox battery (VRB), polysulfide bromine battery (PSB), value-regulated lead-acid (VRLA) battery and lithium-ion (Li-ion) battery are compared through case studies, and the indices impact economic benefit are analyzed to validate the feasibility of the established model and the proposed algorithm, and some suggestions on the configuration plan of the battery are proposed.%蓄电池储能具有效率高、使用寿命长、对地理条件要求低等优点,其额定功率和额定容量可以独立配置。以配电网中蓄电池储能系统全寿命周期内总的净收益最大为目标,研究配电网中蓄电池的配置和各时段充/放电值的优化,综合考虑了储能套利收入、政府电价补贴收入、减少电能转运费、延缓电网升级以及全寿命周期成本等因素。建立了蓄电池储能系统配置的混合优化模型,提出一种基于差分进化和预测-校正内点法的混合算法并进行求解。最后,算例测试比较了钠硫电池、全

  10. Neural Network Based Active Disturbance Rejection Control of a Novel Electrohydraulic Servo System for Simultaneously Balancing and Positioning by Isoactuation Configuration

    Directory of Open Access Journals (Sweden)

    Qiang Gao

    2016-01-01

    Full Text Available To satisfy the lightweight requirements of large pipe weapons, a novel electrohydraulic servo (EHS system where the hydraulic cylinder possesses three cavities is developed and investigated in the present study. In the EHS system, the balancing cavity of the EHS is especially designed for active compensation for the unbalancing force of the system, whereas the two driving cavities are employed for positioning and disturbance rejection of the large pipe. Aiming at simultaneously balancing and positioning of the EHS system, a novel neural network based active disturbance rejection control (NNADRC strategy is developed. In the NNADRC, the radial basis function (RBF neural network is employed for online updating of parameters of the extended state observer (ESO. Thereby, the nonlinear behavior and external disturbance of the system can be accurately estimated and compensated in real time. The efficiency and superiority of the system are critically investigated by conducting numerical simulations, showing that much higher steady accuracy as well as system robustness is achieved when comparing with conventional ADRC control system. It indicates that the NNADRC is a very promising technique for achieving fast, stable, smooth, and accurate control of the novel EHS system.

  11. Domain configuration changes under electric field-induced antiferroelectric-ferroelectric phase transitions in NaNbO{sub 3}-based ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Hanzheng, E-mail: hug17@psu.edu; Randall, Clive A. [Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Shimizu, Hiroyuki; Mizuno, Youichi [Taiyo Yuden Co., Ltd., Takasaki, Gunma 370-3347 (Japan)

    2015-08-07

    We recently developed a feasible crystal chemistry strategy to stabilize the antiferroelectricity in NaNbO{sub 3} through a chemical substitution to decrease the tolerance factor and increase the average electronegativity of the system [Shimizu et al., Dalton Trans. 44, 10763 (2015) and Guo et al., J. Appl. Phys. 117, 214103 (2015)]. Two novel lead-free antiferroelectric (AFE) solid solutions, (1-x)NaNbO{sub 3}-xCaZrO{sub 3} and (1-x)NaNbO{sub 3}-xSrZrO{sub 3}, have been found to exhibit the double polarization hysteresis typical of a reversible AFE ↔ ferroelectric (FE) phase transition. In this study, as demonstrated by (1-x)NaNbO{sub 3}-xCaZrO{sub 3} system, the influence of chemical modification and electrical poling on the AFE/FE phase stability was investigated, primarily focusing on the microstructural and crystallographic evolutions. Together with the macroscopic polarization hysteresis measurements, a well-demonstrated structure-property relationship was presented. It was found that the CaZrO{sub 3} substitution into NaNbO{sub 3} can effectively destabilize the FE Q phase and correspondingly lead to a spontaneous reverting to AFE P phase. In contrast to the reversible AFE ↔ FE phase transition, the domain morphology evolution exhibits irreversible nature with a growing process of the orientational domains after applying electric field. Moreover, a multiple-zone axes electron diffraction map of P and Q phases has been summarized and is believed to be an efficient diagram to determine the AFE/FE nature of the NaNbO{sub 3}-based systems.

  12. Configuration of geological domains and geodynamic evolution of the Africa-Eurasia plate boundary off SW Iberia revisited based on seismic velocity and density models

    Science.gov (United States)

    Martínez-Loriente, Sara; Sallarès, Valentí; Gràcia, Eulàlia; Bartolome, Rafael; Ranero, César

    2015-04-01

    We present a new classification of geological (basement) domains at the Africa-Eurasia plate boundary offshore SW Iberia, together with a regional geodynamic reconstruction spanning from the Mesozoic extension to the Neogene-to-present-day convergence. It is based on seismic velocity and density models along two regional wide-angle seismic transects, one running NW-SE from the Tagus to the Seine abyssal plains, and the other running N-S from S Portugal to the Seine Abyssal Plain, combined with previously available information. The seismic velocity and density structure at the Seine Abyssal Plain and the internal Gulf of Cadiz indicates the presence of a highly heterogeneous oceanic crust, similar to that described in ultra-slow spreading centers, whereas in the Horseshoe and Tagus abyssal plains, the basement structure resembles that of exhumed mantle sections identified in the Northern Atlantic margin. The integration of all this new information allows defining the presence of three oceanic domains off SW Iberia: (1) the Seine Abyssal Plain domain, generated during the first stages of slow seafloor spreading in the NE segment of the Central Atlantic (Early Jurassic); (2) the Gulf of Cadiz domain, made of oceanic crust generated in the Alpine-Tethys spreading system between Iberia and Africa, which was coeval with the formation of the Seine Abyssal Plain domain and lasted up to the North Atlantic continental break-up (Late Jurassic); and (3) the Gorringe Bank domain, mainly made of rocks exhumed from the mantle with little synchronous magmatism, which formed during the first stages of North Atlantic opening (Early Cretaceous). Our models suggest that the Seine Abyssal Plain and Gulf of Cadiz domains are separated by the Lineament South strike-slip fault, whereas the Gulf of Cadiz and Gorringe Bank domains appear to be limited by a deep thrust fault located at the center of the Horseshoe Abyssal Plain, which coincides with the seismicity cluster nucleated in the

  13. RRT+ : Fast Planning for High-Dimensional Configuration Spaces

    OpenAIRE

    Xanthidis, Marios; Rekleitis, Ioannis; O'Kane, Jason M.

    2016-01-01

    In this paper we propose a new family of RRT based algorithms, named RRT+ , that are able to find faster solutions in high-dimensional configuration spaces compared to other existing RRT variants by finding paths in lower dimensional subspaces of the configuration space. The method can be easily applied to complex hyper-redundant systems and can be adapted by other RRT based planners. We introduce RRT+ and develop some variants, called PrioritizedRRT+ , PrioritizedRRT+-Connect, and Prioritize...

  14. Configurational Information as Potentially Negative Entropy: The Triple Helix Model

    Directory of Open Access Journals (Sweden)

    Loet Leydesdorff

    2008-10-01

    Full Text Available Configurational information is generated when three or more sources of variance interact. The variations not only disturb each other relationally, but by selecting upon each other, they are also positioned in a configuration. A configuration can be stabilized and/or globalized. Different stabilizations can be considered as second-order variation, and globalization as a second-order selection. The positive manifestations and the negative selections operate upon one another by adding and reducing uncertainty, respectively. Reduction of uncertainty in a configuration can be measured in bits of information. The variables can also be considered as dimensions of the probabilistic entropy in the system(s under study. The configurational information then provides us with a measure of synergy within a complex system. For example, the knowledge base of an economy can be considered as such a synergy in the otherwise virtual (that is, fourth dimension of a regime

  15. Gas-solid Erosion on Bionic Configuration Surface

    Institute of Scientific and Technical Information of China (English)

    HAN Zhiwu; ZHANG Junqiu; GE Chao; JIANG Jialian; REN Luquan

    2011-01-01

    A three levels orthogonal table- L9(34) was used, namely, impact angle, rotating speed, erodent size, and surface configuration were considered. The three bionic surface configurations are pit, groove, and ring. The experimental results indicate the experiment factors affecting erosive rate are, in their sequence of contribution, erodent size, impact angle, configuration, and rotating speed; the erosive rate increased with increase in rotating speed, erodent size; the erosion resistance of the sample with ring structure is higher than that of the other two samples. Based on this result, regression orthogonal experiment was carried out to select the optimal erosion resistance condition with respect to the ring bionic surface configuration. Regression equations between erosive rate and experimental factors of ring surface configurations were obtained.

  16. An approach for the development of visual configuration systems

    DEFF Research Database (Denmark)

    Hvam, Lars; Ladeby, Klaes Rohde

    2007-01-01

    How can a visual configuration system be developed to support the specification process' in companies that manufacture customer tailored products? This article focuses on how visual configuration systems can be developed. The approach for developing visual configuration systems has been developed...... by Centre for Product Modelling (CPM) at The Technical University of Denmark. The approach is based on experiences from a visualization project in co-operation between CPM and the global provider of power protection American Power Conversion (APC). The visual configuration system was developed in 2001......-2002 and has during its operation since the beginning of 2003 delivered promising results. The lead-time for approval of quotations has been reduced and the percentages of first-time-completed and correct configuration sessions are increased thanks to an increased user-interaction, caused by the visualization...

  17. Configurational Information as Potentially Negative Entropy: The Triple Helix Model

    Science.gov (United States)

    Leydesdorff, Loet

    2008-12-01

    Configurational information is generated when three or more sources of variance interact. The variations not only disturb each other relationally, but by selecting upon each other, they are also positioned in a configuration. A configuration can be stabilized and/or globalized. Different stabilizations can be considered as second-order variation, and globalization as a second-order selection. The positive manifestations and the negative selections operate upon one another by adding and reducing uncertainty, respectively. Reduction of uncertainty in a configuration can be measured in bits of information. The variables can also be considered as dimensions of the probabilistic entropy in the system(s) under study. The configurational information then provides us with a measure of synergy within a complex system. For example, the knowledge base of an economy can be considered as such a synergy in the otherwise virtual (that is, fourth) dimension of a regime

  18. Boundedness of Formation Configuration for Nonlinear Three-body Dynamics

    Institute of Scientific and Technical Information of China (English)

    LI Peng; SONG Yongduan

    2011-01-01

    The configuration boundedness of the three-body model dynamics is studied for Sun-Earth formation flying missions. The three-body formation flying model is built up with considering the lunar gravitational acceleration and solar radiation pressure. Because traditional linearized dynamics based method has relatively lower accuracy, a modified nonlinear formation configuration analysis method is proposed in this paper. Comparative studies are carried out from three aspects, i.e., natural formation configuration with arbitrary departure time, initialization time and formation configuration boundedness, and specific initialization time for bounded formation configuration. Simulations demonstrate the differences between the two schemes,and indicate that the nonlinear dynamic method reduces the error caused by the model linearization and disturbance approximation, and thus provides higher accuracy for boundedness analysis, which is of value to initial parameters selection for natural three-body formation flying.

  19. Identification of configuration and boundaries of interplanetary magnetic clouds

    Science.gov (United States)

    Feng, H. Q.; Wu, D. J.; Chao, J. K.

    2006-07-01

    To study interplanetary magnetic clouds (IMCs), it is important to find their configurations and boundaries from the observed magnetic field data. This paper presents a novel method of identifying the configuration and boundaries of IMCs, wherein the interplanetary magnetic field data, which are measured in the Geocentric Solar Ecliptic (GSE) coordinate system, are converted into an IMC natural coordinate system that can more clearly display the configuration and boundaries of the IMC as a flux tube. The establishment of the natural coordinate system is based on the idea that the IMC is a flux rope with approximately constant α force-free field configuration. We also apply this method to analyze four IMCs observed by the Wind spacecraft. Two of them are identified as having the flux rope configuration lying in the ecliptic plane, and the other two are flux ropes vertical to the ecliptic plane. The results demonstrate that our method can work well for real IMCs.

  20. Measuring Multi-Configurational Character by Orbital Entanglement

    CERN Document Server

    Stein, Christopher J

    2016-01-01

    One of the most critical tasks at the very beginning of a quantum chemical investigation is the choice of either a multi- or single-configurational method. Naturally, many proposals exist to define a suitable diagnostic of the multi-configurational character for various types of wave functions in order to assist this crucial decision. Here, we present a new orbital-entanglement based multi-configurational diagnostic termed $Z_{s(1)}$. The correspondence of orbital entanglement and static (or nondynamic) electron correlation permits the definition of such a diagnostic. We chose our diagnostic to meet important requirements such as well-defined limits for pure single-configurational and multi-configurational wave functions. The $Z_{s(1)}$ diagnostic can be evaluated from a partially converged, but qualitatively correct, and therefore inexpensive density matrix renormalization group wave function as in our recently presented automated active orbital selection protocol. Its robustness and the fact that it can be ...

  1. 云计算中nosql集群自动配置框架的研究与实现%Research and implementation of automatic configuration framework for nosql based on cloud computing

    Institute of Scientific and Technical Information of China (English)

    薛涛; 刘龙

    2015-01-01

    针对云计算中大数据的管理与存储需要手动扩展或释放资源,效率低下、成本高等问题,提出一种云计算环境下nosql数据自动配置管理解决方案,设计并实现有良好的伸缩性、自适应性、可扩展性,支持负载动态变化的nosql自动配置框架,该框架支持所有nosql数据库,广泛集成第三方云平台如亚马逊EC2、openstack、eucalyptus等。在该框架的基础上,实现了Nosman自动配置系统,经运行,该系统能够正常提供大数据的存储与管理,在保证用户SLA的情况下,能够随负载的动态变化自动配置nosql集群资源。%To deal with the problems of extending or releasing resources manually, low efficiency and high cost etc. on the management of big data for cloud computing, this paper puts forward a kind of nosql solution to manage data based on cloud computing. By designing and implementing an automatic configuration framework which has a good scalability, adaptability, scalability and accommodates rapid changes in load. This framework supports any nosql database to configure resources flexibly on the cloud platform, such as Amazon EC2, openstack, eucalyptus etc. . On the basis of this framework, this paper realizes an automatic configuration system called Nosman, which can provide normal storage and management for the big data. It ensures user’s SLA and can automatically allocate cluster resources with the dynamic change of load.

  2. NASA HERMeS Hall Thruster Electrical Configuration Characterization

    Science.gov (United States)

    Peterson, Peter; Kamhawi, Hani; Huang, Wensheng; Yim, John; Herman, Daniel; Williams, George; Gilland, James; Hofer, Richard

    2016-01-01

    NASAs Hall Effect Rocket with Magnetic Shielding (HERMeS) 12.5 kW Technology Demonstration Unit-1 (TDU-1) Hall thruster has been the subject of extensive technology maturation in preparation for development into a flight ready propulsion system. Part of the technology maturation was to test the TDU-1 thruster in several ground based electrical configurations to assess the thruster robustness and suitability to successful in-space operation. The ground based electrical configuration testing has recently been demonstrated as an important step in understanding and assessing how a Hall thruster may operate differently in space compared to ground based testing, and to determine the best configuration to conduct development and qualification testing. This presentation will cover the electrical configuration testing of the TDU-1 HERMeS Hall thruster in NASA Glenn Research Centers Vacuum Facility 5. The three electrical configurations examined are the thruster body tied to facility ground, thruster floating, and finally the thruster body electrically tied to cathode common. The TDU-1 HERMeS was configured with two different exit plane boundary conditions, dielectric and conducting, to examine the influence on the electrical configuration characterization.

  3. NASA HERMeS Hall Thruster Electrical Configuration Characterization

    Science.gov (United States)

    Peterson, Peter Y.; Kamhawi, Hani; Huang, Wensheng; Yim, John; Herman, Daniel; Williams, George; Gilland, James; Hofer, Richard

    2015-01-01

    The NASA Hall Effect Rocket with Magnetic Shielding (HERMeS) 12.5 kW Technology Demonstration Unit-1 (TDU-1) Hall thruster has been the subject of extensive technology maturation in preparation for development into a flight ready propulsion system. Part of the technology maturation was to test the TDU-1 thruster in several ground based electrical configurations to assess the thruster robustness and suitability to successful in-space operation. The ground based electrical configuration testing has recently been demonstrated as an important step in understanding and assessing how a Hall thruster may operate differently in-space compared to ground based testing, and to determine the best configuration to conduct development and qualification testing. This paper describes the electrical configuration testing of the HERMeS TDU-1 Hall thruster in NASA Glenn Research Center's Vacuum Facility 5. The three electrical configurations examined were 1) thruster body tied to facility ground, 2) thruster floating, and 3) thruster body electrically tied to cathode common. The HERMeS TDU-1 Hall thruster was also configured with two different exit plane boundary conditions, dielectric and conducting, to examine the influence on the electrical configuration characterization.

  4. The self-description data configuration model

    Energy Technology Data Exchange (ETDEWEB)

    Abadie, Lana, E-mail: lana.abadie@iter.org [ITER Organization, Route de vinon sur Verdon, 13115 St Paul Lez Durance (France); Di Maio, Franck; Klotz, Wolf-Dieter; Mahajan, Kirti; Stepanov, Denis; Utzel, Nadine; Wallander, Anders [ITER Organization, Route de vinon sur Verdon, 13115 St Paul Lez Durance (France)

    2012-12-15

    Highlights: Black-Right-Pointing-Pointer We use the relational model to represent the configuration data for ITER. Black-Right-Pointing-Pointer We explain the different modeled views namely physical, functional and control. Black-Right-Pointing-Pointer We explain how this information is used to generate configuration files. Black-Right-Pointing-Pointer We explain that this information is validated. - Abstract: ITER will consist of roughly 160 plant systems I and C delivered in kind which need to be integrated into the ITER control infrastructure. To make the integration of all these plant systems I and C, a smooth operation, the CODAC (Controls, Data Access and Communications) group release every year the core software environment which consists of many applications. In this paper we would like to describe what configuration data and how it is modeled in the version 2. The model is based on three views, the physical one which lists the components with their signals, the functional view which describes the control functions and variables required to implement them and the control view which links the two previous views. We use Hibernate as an ORM (Object Relational Mapping) framework with a PostgreSQL database and Spring as a framework to handle transactions.

  5. Perceptual separability of featural and configural information in congenital prosopagnosia.

    Science.gov (United States)

    Kimchi, Ruth; Behrmann, Marlene; Avidan, Galia; Amishav, Rama

    2012-01-01

    The deficit in face recognition in individuals with prosopagnosia has often been attributed to an underlying impairment in holistic processing. Exactly what constitutes holistic processing has remained controversial, however. Here, we compare how configural information and featural information interact during face processing in a group of individuals with congenital prosopagnosia (CP) and matched controls. We adopted Amishav and Kimchi's version of Garner's speeded classification task, in which observers classify upright faces based on configural (intereyes and nose-mouth spacing) or featural (shape of eyes, nose, and mouth) information while the other dimension remains constant or varied randomly. We replicated the finding that normal observers evince symmetric Garner interference--failure to selectively attend to features without being influenced by irrelevant variation in configuration, and vice versa--indicating that featural and configural information are integral in normal face processing. In contrast, the CPs showed no Garner interference: They were able to attend to configural information without interference from irrelevant variation in featural information, and they were able to attend to featural information without interference from irrelevant variation in configural information. The absence of Garner interference in CP provides strong evidence that featural information and configural information are perceptually separable in CP's face processing. These findings indicate that CPs do not perceive faces holistically; rather, they process featural and configural information independently.

  6. 基于本体映射的需求相似度产品配置研究%Research on Product Configuration of Requirement Similarity Ratio Based on Ontology Mapping

    Institute of Scientific and Technical Information of China (English)

    杨沁; 武珂; 唐伟; 卫道柱

    2013-01-01

    Considering the barriers of semantic communication between customer domain and product domain, and the advantages of ontology in semantic reasoning and information management, a method based on ontology mapping is presented to implement product configuration. For the inheritance and the innovation of product design, and the customer individual demand, a customer requirement ontology and product family case ontology are constructed. According to the optimum mapping decided by the similarity threshold, ontology constraints and context relations, the individual product configuration is realized quickly and precisely through calculating the similarity ratio among conception element of ontology, and the complexity of the product design process is reduced. Finally, an example of a car is presented to demonstrate the feasibility of the proposed method.%鉴于客户域与产品域间的语义沟通障碍,利用本体在语义推理、信息管理方面的优势提出了基于本体映射的产品配置方法.针对产品设计的继承性、创新性及客户的个性化需求,构建了客户需求本体和产品配置实例本体.通过本体中概念元素间的相似度计算,由相似度阀值、本体约束及上下文关系决定最优映射,最终实现了个性化产品的快速、准确配置,降低了产品设计过程的复杂性.最后,以某轿车的个性化产品为例说明该配置方法的可行性.

  7. Configuring Symantec AntiVirus

    CERN Document Server

    Shimonski, Robert

    2003-01-01

    This is the only book that will teach system administrators how to configure, deploy, and troubleshoot Symantec Enterprise Edition in an enterprise network. The book will reflect Symantec''s philosophy of "Centralized Antivirus Management." For the same reasons that Symantec bundled together these previously separate products, the book will provide system administrators with a holistic approach to defending their networks from malicious viruses. This book will also serve as a Study Guide for those pursuing Symantec Product Specialist Certifications.Configuring Symantec AntiVirus Enterprise Edition contains step-by-step instructions on how to Design, implement and leverage the Symantec Suite of products in the enterprise.ØFirst book published on market leading product and fast-growing certification. Despite the popularity of Symantec''s products and Symantec Product Specialist certifications, there are no other books published or announced.ØLess expensive substitute for costly on-sight training. Symantec off...

  8. Microsoft System Center Configuration Manager

    CERN Document Server

    Sandbu, Marius

    2013-01-01

    This book is a step-by-step tutorial that guides you through the key steps in implementing best solutions for high availability and performance tuning. It is split into two distinct approaches: client and site side HA and optimization.Microsoft SCCM High Availability and Performance Tuning is for IT professionals and consultants working with Configuration Manager who wish to learn the skills to deploy a redundant and scalable solution.

  9. Drupal 7 Multi Sites Configuration

    CERN Document Server

    Butcher, Matt

    2012-01-01

    Follow the creation of a multi-site instance with Drupal. The practical examples and accompanying screenshots will help you to get multiple Drupal sites set up in no time. This book is for Drupal site builders. It is assumed that readers are familiar with Drupal already, with a basic grasp of its concepts and components. System administration concepts, such as configuring Apache, MySQL, and Vagrant are covered but no previous knowledge of these tools is required.

  10. Discretized configurations and partial partitions

    CERN Document Server

    Abrams, Aaron; Hower, Valerie

    2010-01-01

    We show that the discretized configuration space of $k$ points in the $n$-simplex is homotopy equivalent to a wedge of spheres of dimension $n-k+1$. This space is homeomorphic to the order complex of the poset of ordered partial partitions of $\\{1,\\...,n+1\\}$ with exactly $k$ parts. We also compute the Euler characteristic in two different ways, thereby obtaining a topological proof of a combinatorial recurrence satisfied by the Stirling numbers of the second kind.

  11. Stereoscopic Configurations To Minimize Distortions

    Science.gov (United States)

    Diner, Daniel B.

    1991-01-01

    Proposed television system provides two stereoscopic displays. Two-camera, two-monitor system used in various camera configurations and with stereoscopic images on monitors magnified to various degrees. Designed to satisfy observer's need to perceive spatial relationships accurately throughout workspace or to perceive them at high resolution in small region of workspace. Potential applications include industrial, medical, and entertainment imaging and monitoring and control of telemanipulators, telerobots, and remotely piloted vehicles.

  12. Enhancing diamond color center fluorescence via optimized plasmonic nanorod configuration

    CERN Document Server

    Szenes, Andras; Szabo, Lorant Zs; Szabo, Gabor; Csendes, Tibor; Csete, Maria

    2016-01-01

    Optimization of nanorod based configurations was realized to enhance fluorescence of NV and SiV color centers in diamond. Comparative study was performed on gold and silver nanorod based configurations optimized to enhance excitation and emission, as well as both phenomena simultaneously. Considerable excitation enhancement is achieved by silver nanorod, while both metals are appropriate to enhance emission. More significant improvement can be realized via silver nanorod at both wavelengths of both color centers. The optimal configuration is determined by preferences corresponding to the emission. Larger emission enhancement is achieved via both metals in case of SiV with respect to the NV center. Gold and silver nanorod based configurations making possible to improve SiV quantum efficiency by factor of 1.18 and 5.25 are proposed.

  13. Use of density functional theory orbitals in the GVVPT2 variant of second-order multistate multireference perturbation theory.

    Science.gov (United States)

    Hoffmann, Mark R; Helgaker, Trygve

    2015-03-01

    A new variation of the second-order generalized van Vleck perturbation theory (GVVPT2) for molecular electronic structure is suggested. In contrast to the established procedure, in which CASSCF or MCSCF orbitals are first obtained and subsequently used to define a many-electron model (or reference) space, the use of an orbital space obtained from the local density approximation (LDA) variant of density functional theory is considered. Through a final, noniterative diagonalization of an average Fock matrix within orbital subspaces, quasicanonical orbitals that are otherwise indistinguishable from quasicanonical orbitals obtained from a CASSCF or MCSCF calculation are obtained. Consequently, all advantages of the GVVPT2 method are retained, including use of macroconfigurations to define incomplete active spaces and rigorous avoidance of intruder states. The suggested variant is vetted on three well-known model problems: the symmetric stretching of the O-H bonds in water, the dissociation of N2, and the stretching of ground and excited states C2 to more than twice the equilibrium bond length of the ground state. It is observed that the LDA-based GVVPT2 calculations yield good results, of comparable quality to conventional CASSCF-based calculations. This is true even for the C2 model problem, in which the orbital space for each state was defined by the LDA orbitals. These results suggest that GVVPT2 can be applied to much larger problems than previously accessible.

  14. A Vertical Differential Configuration in GPR prospecting

    Science.gov (United States)

    Persico, Raffaele; Pochanin, Gennadiy; Varianytsia-Roshchupkina, Liudmyla; Catapano, Ilaria; Gennarelli, Gianluca; Soldovieri, Francesco

    2015-04-01

    small objects and interfaces. This configuration can be labeled as a vertical differential configuration. At the conference, the reconstruction capabilities of this differential GPR configuration system will be discussed by means of an analysis of the problem based on a properly designed microwave tomographic inversion approach. The proposed approach exploits the Born approximation and faces the imaging as the solution of a linear inverse scattering problem. In this way, the problem of the local minima is avoided [7] and it is possible to impose some regularization to the problem in an easy way problem [8-9]. At the conference, a theoretical analysis of the mathematical propserties of the scattering operator under the vertical differential configuration will be presented showing that, with respect to the horizontal differential configuration, the vertical one allows to reject the direct coupling between the antennas but not the coupling of the antennas occurring through the air-soil interface. On the other hand, the filtering properties of the operator at hand con be considered, let say, less severe in some cases. At the conference, both some numerical and experimental results will be shown. References [1] R. Persico, F. Soldovieri, "Effects of the background removal in linear inverse scattering", IEEE Trans. Geosci. Remote Sens, vol. 46, pp. 1104-1114, April 2008. [2] L. Gurel, U. Oguz, "Three-Dimensional FDTD modeling of a ground penetrating radar", IEEE Trans. Geosci. Remote Sens, vol. 38, pp. 1513-1521, July 2000. [3] L. Gurel, U. Oguz, "Optimization of the transmitter-receiver separation in the ground penetrating radar", IEEE Trans. Antennas and Propag., vol. 51, no 3, pp. 362-370, March 2003. [4] R. Persico, F. Soldovieri, "A microwave tomography approach for a differential configuration in GPR prospecting", IEEE Trans. Antennas and Propag., vol. 54, pp. 3541 - 3548, 2006. [5] Y.A. Kopylov, S.A. Masalov, G.P. Pochanin, "The way of isolation between transmitting

  15. 基于云计算运维服务的配置管理数据库模型%Configuration Managem ent Database Model Based on Cloud Computing Operation and Maintenance Servcie

    Institute of Scientific and Technical Information of China (English)

    肖建明; 戴声

    2014-01-01

    Configuration management database ( CMDB) is a data center of infrastructure.It plays a vital core role in operation and maintenance processes.In the environment of cloud computing, there is a lack of CMDB model which can support the cloud -based operation and maintenance service.In order to solve this problem, based on cloud computing operation and maintenance scene, a research was made about how to build a cloud platform CMDB that provides operation and maintenance service.With this foundation, a basic model of CMDB including the relationship between each configuration item ( CI) and the high perform-ance external query and analysis capabilities was provided.It turned out to be a theoretical data-supported practical standard mod-el for operation and maintenance.The model has been applied and validated in a cloud-based project for a telecom operator.%配置管理数据库( CMDB)作为基础设备的数据集散地,在运维服务中处于一个至关重要的位置。但在云计算的大环境下,尚缺乏支持云计算运维服务的CMDB模型。为解决此问题,针对云计算背景下的运维场景的CMDB模型需求进行分析,提出云计算运维服务的CMDB应该提供的基础模型,包括配置项( CI)之间的相互关系以及其具备的高效能的外部查询和分析能力,最终得到一个能为云计算运维工作提供理论及数据支撑的实践型标准模型,并在某电信运营商的云项目中得到应用和验证。

  16. EMMA: A New Paradigm in Configurable Software

    Energy Technology Data Exchange (ETDEWEB)

    Nogiec, J. M. [Fermilab; Trombly-Freytag, K. [Fermilab

    2016-10-05

    EMMA is a framework designed to create a family of configurable software systems, with emphasis on extensibility and flexibility. It is based on a loosely coupled, event driven architecture. The EMMA framework has been built upon the premise of composing software systems from independent components. It opens up opportunities for reuse of components and their functionality and composing them together in many different ways. It provides the developer of test and measurement applications with a lightweight alternative to microservices, while sharing their various advantages, including composability, loose coupling, encapsulation, and reuse.

  17. Distance distribution in configuration-model networks

    Science.gov (United States)

    Nitzan, Mor; Katzav, Eytan; Kühn, Reimer; Biham, Ofer

    2016-06-01

    We present analytical results for the distribution of shortest path lengths between random pairs of nodes in configuration model networks. The results, which are based on recursion equations, are shown to be in good agreement with numerical simulations for networks with degenerate, binomial, and power-law degree distributions. The mean, mode, and variance of the distribution of shortest path lengths are also evaluated. These results provide expressions for central measures and dispersion measures of the distribution of shortest path lengths in terms of moments of the degree distribution, illuminating the connection between the two distributions.

  18. Optimizing the order processing of customized products using product configuration

    DEFF Research Database (Denmark)

    Hvam, Lars; Bonev, Martin; Denkena, B.

    2011-01-01

    . Product configuration based on integrated modular product structure and product family architecture has been recognized as an effective means for implementing mass customization. In order to evaluate the effects of product configuration on order processing, a study has been conducted by the Department...... of Management Engineering and Operations Management of the Technical University of Denmark in cooperation with the Institute of Production Engineering and Machine Tools of the Leibniz Universität Hannover. Thereby, a product configuration system has been modelled for a manufacturer of mass customized products...... and its benefits for the order processing have been evaluated....

  19. Tank monitor and control system (TMACS) software configuration management plan

    Energy Technology Data Exchange (ETDEWEB)

    GLASSCOCK, J.A.

    1999-05-13

    This Software Configuration Management Plan (SCMP) describes the methodology for control of computer software developed and supported by the Systems Development and Integration (SD and I) organization of Lockheed Martin Services, Inc. (LMSI) for the Tank Monitor and Control System (TMACS). This plan controls changes to the software and configuration files used by TMACS. The controlled software includes the Gensym software package, Gensym knowledge base files developed for TMACS, C-language programs used by TMACS, the operating system on the production machine, language compilers, and all Windows NT commands and functions which affect the operating environment. The configuration files controlled include the files downloaded to the Acromag and Westronic field instruments.

  20. An automated approach to magnetic divertor configuration design

    Science.gov (United States)

    Blommaert, M.; Dekeyser, W.; Baelmans, M.; Gauger, N. R.; Reiter, D.

    2015-01-01

    Automated methods based on optimization can greatly assist computational engineering design in many areas. In this paper an optimization approach to the magnetic design of a nuclear fusion reactor divertor is proposed and applied to a tokamak edge magnetic configuration in a first feasibility study. The approach is based on reduced models for magnetic field and plasma edge, which are integrated with a grid generator into one sensitivity code. The design objective chosen here for demonstrative purposes is to spread the divertor target heat load as much as possible over the entire target area. Constraints on the separatrix position are introduced to eliminate physically irrelevant magnetic field configurations during the optimization cycle. A gradient projection method is used to ensure stable cost function evaluations during optimization. The concept is applied to a configuration with typical Joint European Torus (JET) parameters and it automatically provides plausible configurations with reduced heat load.

  1. Actively controlling coolant-cooled cold plate configuration

    Energy Technology Data Exchange (ETDEWEB)

    Chainer, Timothy J.; Parida, Pritish R.

    2016-04-26

    Cooling apparatuses are provided to facilitate active control of thermal and fluid dynamic performance of a coolant-cooled cold plate. The cooling apparatus includes the cold plate and a controller. The cold plate couples to one or more electronic components to be cooled, and includes an adjustable physical configuration. The controller dynamically varies the adjustable physical configuration of the cold plate based on a monitored variable associated with the cold plate or the electronic component(s) being cooled by the cold plate. By dynamically varying the physical configuration, the thermal and fluid dynamic performance of the cold plate are adjusted to, for example, optimally cool the electronic component(s), and at the same time, reduce cooling power consumption used in cooling the electronic component(s). The physical configuration can be adjusted by providing one or more adjustable plates within the cold plate, the positioning of which may be adjusted based on the monitored variable.

  2. High Energy Electron Confinement in a Magnetic Cusp Configuration

    CERN Document Server

    Park, Jaeyoung; Sieck, Paul E; Offermann, Dustin T; Skillicorn, Michael; Sanchez, Andrew; Davis, Kevin; Alderson, Eric; Lapenta, Giovanni

    2014-01-01

    We report experimental results validating the concept that plasma confinement is enhanced in a magnetic cusp configuration when beta (plasma pressure/magnetic field pressure) is order of unity. This enhancement is required for a fusion power reactor based on cusp confinement to be feasible. The magnetic cusp configuration possesses a critical advantage: the plasma is stable to large scale perturbations. However, early work indicated that plasma loss rates in a reactor based on a cusp configuration were too large for net power production. Grad and others theorized that at high beta a sharp boundary would form between the plasma and the magnetic field, leading to substantially smaller loss rates. The current experiment validates this theoretical conjecture for the first time and represents critical progress toward the Polywell fusion concept which combines a high beta cusp configuration with an electrostatic fusion for a compact, economical, power-producing nuclear fusion reactor.

  3. Stopped nucleons in configuration space

    CERN Document Server

    Bialas, Andrzej; Koch, Volker

    2016-01-01

    In this note, using the colour string model, we study the configuration space distribution of stopped nucleons in heavy-ion collisions. We find that the stopped nucleons from the target and the projectile end up separated from each other by the distance increasing with the collision energy. In consequence, for the center of mass energies larger than 6 or 10 GeV (depending on the details of the model) it appears that the system created is not in thermal and chemical equilibrium, and the net baryon density reached is likely not much higher than that already present in the colliding nuclei.

  4. Electromagnetic configurations of rail guns

    Science.gov (United States)

    Fat'yanov, O. V.; Ostashev, V. E.; Lopyrev, A. N.; Ul'Yanov, A. V.

    1993-06-01

    Some problems associated with the electromagnetic acceleration of macrobodies in a rail gun are examined. An approach to the design of rail gun configurations is proposed, and some basic rail gun schemes are synthesized. The alternative rail gun schemes are compared in terms of electrode potential and stability of the electrode gap with respect to parasitic current shunting. The effect of the ohmic resistance of the electrodes and of the additional magnetization field on the spatial structure of the discharge in the rail gun channel is discussed. A classification of rail gun modifications is presented.

  5. Laser photography system: hardware configuration

    Science.gov (United States)

    Piszczek, Marek; Rutyna, Krzysztof; Kowalski, Marcin; Zyczkowski, Marek

    2012-06-01

    Solution presented in this article is a system using image acquisition time gating method. The time-spatial framing method developed by authors was used to build Laser Photography System (LPS). An active vision system for open space monitoring and terrorist threats detection is being built as an effect of recent work lead in the Institute of Optoelectronics, MUT. The device is destined to prevent and recognize possible terrorist threats in important land and marine areas. The aim of this article is to discuss the properties and hardware configuration of the Laser Photography System.

  6. ATLAS software configuration and build tool optimisation

    Science.gov (United States)

    Rybkin, Grigory; Atlas Collaboration

    2014-06-01

    ATLAS software code base is over 6 million lines organised in about 2000 packages. It makes use of some 100 external software packages, is developed by more than 400 developers and used by more than 2500 physicists from over 200 universities and laboratories in 6 continents. To meet the challenge of configuration and building of this software, the Configuration Management Tool (CMT) is used. CMT expects each package to describe its build targets, build and environment setup parameters, dependencies on other packages in a text file called requirements, and each project (group of packages) to describe its policies and dependencies on other projects in a text project file. Based on the effective set of configuration parameters read from the requirements files of dependent packages and project files, CMT commands build the packages, generate the environment for their use, or query the packages. The main focus was on build time performance that was optimised within several approaches: reduction of the number of reads of requirements files that are now read once per package by a CMT build command that generates cached requirements files for subsequent CMT build commands; introduction of more fine-grained build parallelism at package task level, i.e., dependent applications and libraries are compiled in parallel; code optimisation of CMT commands used for build; introduction of package level build parallelism, i. e., parallelise the build of independent packages. By default, CMT launches NUMBER-OF-PROCESSORS build commands in parallel. The other focus was on CMT commands optimisation in general that made them approximately 2 times faster. CMT can generate a cached requirements file for the environment setup command, which is especially useful for deployment on distributed file systems like AFS or CERN VMFS. The use of parallelism, caching and code optimisation significantly-by several times-reduced software build time, environment setup time, increased the efficiency of

  7. Assessment of charge-transfer excitations with time-dependent, range-separated density functional theory based on long-range MP2 and multiconfigurational self- consistent field wave functions

    DEFF Research Database (Denmark)

    Hedegård, Erik D.; Jensen, Hans Jørgen Aagaard; Knecht, Stefan;

    2013-01-01

    formulation of multi-determinantal TD-DFT schemes where excitation classes, which are absent in conventional TD-DFT spectra (like for example double excitations), can be addressed. This paper investigates the combination of both the long-range Multi-Configuration Self-Consistent Field (MCSCF) and Second Order...... TD-MC-srDFT and performs slightly better against the reference data for this small subset. Beyond the proof-of-principle calculations comprising the first part of this contribution, we additionally studied the low-lying singlet excited states (S1 and S2) of the retinal chromophore. The chromophore...... displays multireference character in the ground state and both excited states exhibit considerable double excitation character, which in turn cannot be described within standard TD-DFT, due to the adiabatic approximation. However, a TD-MC-srDFT approach can account for the multireference character...

  8. Transistor bonding pad configuration for uniform injection and low inductance

    Science.gov (United States)

    Jacobson, D. S.

    1970-01-01

    Modification of process for fabricating transistors, which comprises a metallization-pattern design for emitter and base areas together with a double bonding configuration for each emitter and base-bonding lead, improves uniformity of carrier injection in transistors and of reducing lead inductances at base-emitter terminals.

  9. Computational methods for stellerator configurations

    Energy Technology Data Exchange (ETDEWEB)

    Betancourt, O.

    1992-01-01

    This project had two main objectives. The first one was to continue to develop computational methods for the study of three dimensional magnetic confinement configurations. The second one was to collaborate and interact with researchers in the field who can use these techniques to study and design fusion experiments. The first objective has been achieved with the development of the spectral code BETAS and the formulation of a new variational approach for the study of magnetic island formation in a self consistent fashion. The code can compute the correct island width corresponding to the saturated island, a result shown by comparing the computed island with the results of unstable tearing modes in Tokamaks and with experimental results in the IMS Stellarator. In addition to studying three dimensional nonlinear effects in Tokamaks configurations, these self consistent computed island equilibria will be used to study transport effects due to magnetic island formation and to nonlinearly bifurcated equilibria. The second objective was achieved through direct collaboration with Steve Hirshman at Oak Ridge, D. Anderson and R. Talmage at Wisconsin as well as through participation in the Sherwood and APS meetings.

  10. Dark energy stars: Stable configurations

    CERN Document Server

    Bhar, Piyali; Rahaman, Farook; Banerjee, Ayan

    2016-01-01

    In present paper a spherically symmetric stellar configuration has been analyzed by assuming the matter distribution of the stellar configuration is anisotropic in nature and compared with the realistic objects, namely, the low mass X-ray binaries (LMXBs) and X-ray pulsars. The analytic solution has been obtained by utilizing the dark energy equation of state for the interior solution corresponding to the Schwarzschild exterior vacuum solution at the junction interface. Several physical properties like energy conditions, stability, mass-radius ratio, and surface redshift are described through mathematical calculations as well as graphical plots. It is found that obtained mass-radius ration of the compact stars candidates like 4U 1820-30, PSR J 1614-2230, Vela X-1 and Cen X-3 are very much consistent with the observed data by Gangopadhyay et al. (Mon. Not. R. Astron. Soc. 431, 3216 (2013)). So our proposed model would be useful in the investigation of the possible clustering of dark energy.

  11. Configurational diffusion of coal macromolecules

    Energy Technology Data Exchange (ETDEWEB)

    Guin, J.A.; Curtis, C.W.; Tarrer, A.R.; Kim, S.; Hwang, D.; Chen, C.C.; Chiou, Z.

    1991-01-01

    The objective of our research was to obtain fundamental information regarding the functional dependence of the diffusion coefficient of coal molecules on the ratio of molecule to pore diameter. That is, the objective of our study was to examine the effect of molecule size and configuration on hindered diffusion of coal macromolecules through as porous medium. To best accomplish this task, we circumvented the complexities of an actual porous catalyst by using a well defined porous matrix with uniform capillaric pores, i.e., a track-etched membrane. In this way, useful information was obtained regarding the relationship of molecular size and configuration on the diffusion rate of coal derived macromolecules through a pore structure with known geometry. Similar studies were performed using a pellet formed of porous alumina, to provide a link between the idealized membranes and the actual complex pore structure of real catalyst extrudates. The fundamental information from our study will be useful toward the tailoring of catalysts to minimize diffusional influences and thereby increase coal conversion and selectivity for desirable products. (VC)

  12. Windows Calorimeter Control (WinCal) program computer software configuration management plan

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-03-26

    This document describes the system configuration management activities performed in support of the Windows Calorimeter Control (WinCal) system, in accordance with Site procedures based on Institute of Electrical and Electronic Engineers (IEEE) Standard 828-1990, Standard for Software Configuration Management Plans (IEEE 1990) and IEEE Standard 1042-1987, Guide to Software Configuration Management (IEEE 1987).

  13. An Information Configurable System for Human Resource Management Based on Cloud Computing%基于云计算的可配置人力资源管理信息系统

    Institute of Scientific and Technical Information of China (English)

    马鸿雁; 王继昌

    2014-01-01

    文中提出一种基于云计算的可配置人力资源管理信息系统,通过 RFID读写设备采集数据,将数据传输到云端,再利用云计算平台和SaaS服务架构,实现人力资源的集中式与分布式管理。该系统能有效的抵御网络攻击,可在高等院校和企业中应用。%This paper presents a configurable human resource management information system based on cloud computing. It can collect data through the RFID read-write device and transmit data to the cloud. With the aid of cloud computing platform and SaaS service architecture, centralized and distributed management of human resources can be implemented. This system can effectively resist attacks and can be applied in universities and enterprises.

  14. Comparative Study of Multiplet Structures of Mn4+ in K2SiF6, K2GeF6, and K2TiF6 Based on First-Principles Configuration-Interaction Calculations

    Science.gov (United States)

    Novita, Mega; Ogasawara, Kazuyoshi

    2012-02-01

    We performed first-principles configuration-interaction calculations of multiplet energies for Mn4+ in K2SiF6, K2GeF6, and K2TiF6 crystals. The results indicate that corrections based on a single-electron calculation are effective for the prediction of 4A2 → 4T2 and 4A2 → 4T1a transition energies, while such corrections are not necessary for the prediction of the 4A2 → 2E transition energy. The cluster size dependence of the multiplet energies is small. However, the 4A2 → 2E transition energy is slightly improved by using larger clusters including K ions. The theoretical multiplet energies are improved further by considering the lattice relaxation effect. As a result, the characteristic multiplet energy shifts depending on the host crystal are well reproduced without using any empirical parameters. Although K2GeF6 and K2TiF6 have lower symmetry than K2SiF6, the results indicate that the variation of the multiplet energy is mainly determined by the Mn-F bond length.

  15. Linux环境中基于云的DNS服务器的配置与优化%The Configuration and Optimization of DNS Server Based on the Cloud in Linux Environment

    Institute of Scientific and Technical Information of China (English)

    郁胜尚; 李兰友; 王志明

    2013-01-01

    The Linux network operating system can provide a good platform for DNS server for its safety and stability. With the rapid transmission of network information,it is a bottleneck of the website promotion that how to make users access correspond-ing website faster.The configuration and optimization of DNS server based on the cloud can solve this problem.It can significant-ly improve some performance parameters such as DNS query delay,update delay,fault resilience,reliability and so on.%Linux网络操作系统以其出色的安全性与稳定性为DNS服务器提供了一个良好的平台,可是网络信息传递是迅速的,如何让用户更快地访问相对应的网站是网站推广的一个瓶颈。基于云的DNS服务器的配置与优化就是为了解决这种问题,使其DNS查询延迟、更新延迟、故障应变能力、可靠性等各方面性能都有着显著的提高。

  16. 利用COMSOL软件对1D-BPM电极影响的仿真及分析%Simulation Based on COMSOL for Effect of Electrode Configuration on 1D-BPM

    Institute of Scientific and Technical Information of China (English)

    高文宏; 马树元

    2012-01-01

    One-dimensional dimension binary-code phase modulator (1D-BPM) for speckle reduction in laser display system is designed based on Pb(Mg1/3Nb2/3)O3-PbTiO3 (PMN-PT) and microelectromechnical system (MEMS) microfabrication technology.Mathematical model of 1D-BPM is built up,and the relationship between phase shift and electrical field applied by electrodes is deduced.Electrode configuration is investigated by simulation with finite element analysis.We find that the phase distribution across the gap between two electrodes depends not only on the electric field applied by electrodes,but also on the electrodes' configuration when their dimensions are on the submicron order.Electrodes corner effect is the significant factors for device design and optimization.%基于微机电系统(MEMS)微加工技术和Pb( Mg1/3 Nb2/3) O3-PbTiO3 (PMN-PT)电光材料设计的一维二进制码相位调制器(1D-BPM)可用于激光显示技术中的散斑消除.建立了1D-BPM数学模型,推导出电极在PMN-PT片内产生的电场和PMN-PT折射率变化导致通过的光束相位变化的关系.采用有限元分析方法仿真了电极几何尺寸对相位的影响,发现当电极尺寸在亚微米级时,两电极间相位分布不仅依赖于电极产生的电场大小,而且受到电极几何尺寸的影响.电极角效应是器件设计及优化时需考虑的重要因素.

  17. A thrust allocation method for dynamic positioning system based on the null space of configuration matrix%基于构造矩阵零空间的动力定位系统推力分配方法

    Institute of Scientific and Technical Information of China (English)

    王莹; 谌栋梁; 谢颖; 张园

    2013-01-01

    在动力定位系统中,推力分配方法是联系运动控制算法和执行机构的纽带,具有十分重要的意义.回顾目前用于海洋工程船舶动力定位系统的主要推力分配算法,针对动力定位系统中常见的过驱动推力分配问题提出了一种基于船舶推进器构造矩阵零空间的分配算法.该方法将构造矩阵分解为基空间和零空间,目标推力可以由基空间保证;零空间向量并不影响总的目标推力,但影响单台推进器的推力,目标函数可以在零空间上优化.并将这一算法应用于某一工程船的动力定位仿真模拟,对该算法进行了验证.%In a dynamic positioning system,the thrust allocation is of great significance to the link between the motion control method and the propulsion system.A survey of thrust allocation methods used in the dynamic positioning (DP) system for marine vessels is presented,and a new thruster allocation method based on the null space thruster configuration matrix of marine vessels is derived for the normal overactuated control allocation problem.The configuration matrix is decomposed to basis space and null space,the target thrust can be guaranteed by the basis space,and the null space doesn' t affect the total thrust but influence the thrust of every single thruster,so the performance function can be optimized on the null space.The method is finally verified by demonstrating it in the dynamic positioning simulation of an engineeing vessel.

  18. 基于65 nm 工艺的多端口可配置 PUF 电路设计%Design of Multi-port Configurable PUF Circuit Based on 65 nm Technology

    Institute of Scientific and Technical Information of China (English)

    李刚; 汪鹏君; 张跃军; 钱浩宇

    2016-01-01

    Physical Unclonable Functions (PUF) exploits process variation across the same structure circuits during the manufacturing processes to generate numerous unique, random and unclonable security keys. In this paper, a multi-port configurable PUF scheme is proposed, which is based on random deviation of current mirrors. It consists of input register, deviation-voltage source, multiplexing-net, arbiter array and obfuscation circuit. After configuring deviation-voltage source by applying different input challenges, the PUF circuit updates keys without physically replacement, and it can generate multi-bit keys in a clock cycle. In SMIC 65 nm CMOS technology, the layout of 36 ports configurable PUF occupies 24.8 μm×77.4 μm with custom designing. Experimental results show that the PUF circuit possesses better statistical characteristic of uniqueness and randomness, and it has a high reliability of 97.4% with respect to temperature variation from −40 °C to 125 °C, and supply voltage variation from 1.08 V to 1.32 V. It can be effectively used in information security field.%物理不可克隆函数(Physical Unclonable Function, PUF)电路利用结构完全相同的电路在制造过程中存在的随机工艺偏差,产生具有唯一性、随机性和不可克隆性的密钥。该文通过对共源共栅电流镜的研究,提出一种基于电流镜工艺偏差的多端口可配置 PUF 电路。该 PUF 电路由输入寄存器、偏差电压源、复用网络、判决器阵列和扰乱模块构成,通过激励信号配置偏差电压源,无需更换硬件便可实现输出密钥的变化,且可在一个时钟周期内输出多位密钥。在 SMIC 65 nm CMOS 工艺下,采用全定制方式设计具有36个输出端口的 PUF 电路,版图面积为24.8μm×77.4μm。实验结果表明,该 PUF 电路具有良好的唯一性和随机性,且工作在不同温度(-40~125°C)和电压(1.08~1.32 V)下的可靠性均大于97.4%,可应用于信息安全领域。

  19. Interactive Cost Configuration Over Decision Diagrams

    DEFF Research Database (Denmark)

    Andersen, Henrik Reif; Hadzic, Tarik; Pisinger, David

    2010-01-01

    then discuss interactive configuration in the presence of multiple cost functions. We prove that even in its simplest form, multiple-cost configuration is NP-hard in the input MDD. However, for solving two-cost configuration we develop a pseudo-polynomial scheme and a fully polynomial approximation scheme...

  20. Offshore Vendors’ Software Development Team Configurations

    DEFF Research Database (Denmark)

    Chakraborty, Suranjan; Sarker, Saonee; Rai, Sudhanshu

    2012-01-01

    This research uses configuration theory and data collected from a major IT vendor organization to examine primary configurations of distributed teams in a global off-shoring context. The study indicates that off-shoring vendor organizations typically deploy three different types of configurations...

  1. Offshore Vendors' Software Development Team Configuration

    DEFF Research Database (Denmark)

    Chakraborty, Suranjan; Sarker, Saonee; Rai, Sudhanshu

    2011-01-01

    This research uses configuration theory and data collected from a major IT vendor organization to examine primary configurations of distributed teams in a global off-shoring context. The study indicates that off-shoring vendor organizations typically deploy three different types of configurations...

  2. 基于角速率的低配置小型无人机高度控制律设计%Altitude Control Based on Angular Rate for Small UAV with Low Sensor Configuration

    Institute of Scientific and Technical Information of China (English)

    金波; 陈伟; 胡羲

    2015-01-01

    The altitude controller based angular rate is developed by optimization theory of robust servo linear quadratic regulator (RSLQR) for a small UAV. The method combines robust index with time zone control quality, expands tracking error to system dynamic model, use linear quadratic form optimal control principle, design control principle structure and parameter, realize height zero steady-state error control, and protect controller robust performance. Compared it with regular controller, the results show that controller, which based on angular rate, has great height tracking ability and anti-disturbance ability. It can satisfy the flight control requirements of mini low configuration UAV.%采用鲁棒伺服最优控制方法(robust servo linear quadratic regulator,RSLQR)设计了基于角速率的某小型无人机高度控制律。该方法将鲁棒指标和时域控制品质相融合,将跟踪误差扩展到系统动态模型中,利用线性二次型最优控制理论,设计了控制律结构和参数,实现了高度的无静差控制,保障了控制器的鲁棒性能。与常规控制器对比结果表明:基于角速率的控制器具有良好的高度跟踪效果和抗干扰能力,满足了小型低配置无人机的飞行控制要求。

  3. Handbook of Manufacturing Control Fundamentals, description, configuration

    CERN Document Server

    Lödding, Hermann

    2013-01-01

    This first-time English publication of one of Germany’s leading manufacturing control handbooks provides a comprehensive overview of the state of the art, with detailed and easy to understand descriptions of numerous control techniques from Kanban to CONWIP to Backlog Control. Based on the proven funnel model and written for the industry, this book clearly illustrates how companies can use manufacturing control to effectively improve on-time delivery, reduce inventories and cut down throughput times. “This book distinguishes itself with its convincing systematic approach based on thorough international research. Its clear presentation and direct applicability for analysing and configuring the manufacturing control make this handbook an outstanding and unique publication on PPC.” Hans-Peter Wiendahl “The field of manufacturing control is very convincingly reviewed and presented from a theoretical and methodological perspective. Both researchers as well as practitioners will profit from it.” Peter N...

  4. The Marine Virtual Laboratory: enabling efficient ocean model configuration

    Directory of Open Access Journals (Sweden)

    P. R. Oke

    2015-11-01

    Full Text Available The technical steps involved in configuring a regional ocean model are analogous for all community models. All require the generation of a model grid, preparation and interpolation of topography, initial conditions, and forcing fields. Each task in configuring a regional ocean model is straight-forward – but the process of downloading and reformatting data can be time-consuming. For an experienced modeller, the configuration of a new model domain can take as little as a few hours – but for an inexperienced modeller, it can take much longer. In pursuit of technical efficiency, the Australian ocean modelling community has developed the Web-based MARine Virtual Laboratory (WebMARVL. WebMARVL allows a user to quickly and easily configure an ocean general circulation or wave model through a simple interface, reducing the time to configure a regional model to a few minutes. Through WebMARVL, a user is prompted to define the basic options needed for a model configuration, including the: model, run duration, spatial extent, and input data. Once all aspects of the configuration are selected, a series of data extraction, reprocessing, and repackaging services are run, and a "take-away bundle" is prepared for download. Building on the capabilities developed under Australia's Integrated Marine Observing System, WebMARVL also extracts all of the available observations for the chosen time-space domain. The user is able to download the take-away bundle, and use it to run the model of their choice. Models supported by WebMARVL include three community ocean general circulation models, and two community wave models. The model configuration from the take-away bundle is intended to be a starting point for scientific research. The user may subsequently refine the details of the model set-up to improve the model performance for the given application. In this study, WebMARVL is described along with a series of results from test cases comparing WebMARVL-configured

  5. Performance comparison of wind park configurations

    Energy Technology Data Exchange (ETDEWEB)

    Lundberg, Stefan

    2003-07-01

    In this report, layouts of various large-scale wind parks, both AC as well as DC, are investigated. Loss modelling of the wind park components as well as calculations of the energy capture of the turbines using various electrical systems are performed, and the energy production cost of the various park configurations is determined. It was found that from an energy capture point of view, the difference in energy production between various wind turbine systems is very small. In addition, a study of the suitability of various DC/DC-converters is made. Three DC/DC-converters, Boost, Full Bridge and Full Bridge Isolated Boost, are found to be interesting candidates as the 'transformer' component in potential DC-based wind parks. Of all the investigated wind park configurations, the wind park with the series connected DC wind turbines seems to have the best potential to give the lowest energy production cost, if the transmission distance is longer then 10-20 km.

  6. Configuration study of large wind parks

    Energy Technology Data Exchange (ETDEWEB)

    Lundberg, Stefan

    2003-07-01

    In this thesis, layouts of various large-scale wind parks, using both AC as well as DC, are investigated. Loss modelling of the wind park components as well as calculations of the energy capture of the turbines using various electrical systems are performed, and the energy production cost of the various park configurations is determined. The most interesting candidate for a DC transmission based wind park was investigated more in detail, the series DC wind park. Finally, the power quality impact in the PCC (point of common coupling) was studied. It was found that from an energy capture point of view, the difference in energy production between various wind turbine systems is very small. Of all the investigated wind park configurations, the wind park with the series connected DC wind turbines seems to have the best potential to give the lowest energy production cost, if the transmission distance is longer then 10-20 km. Regarding the series DC wind park it was found that it is the most difficult one to control. However, a control algorithm for the series park and its turbines was derived and successfully tested. Still, several more details regarding the control of the series wind park has to be dealt with.

  7. Simulations of Reversed Shear Configuration in EAST

    Institute of Scientific and Technical Information of China (English)

    NIU Xingping; WU Bin

    2007-01-01

    The reversed shear (RS) mode is one of the advanced configurations being considered in EAST.Predictive simulations of EAST reversed shear configuration are carried out using an 1.5D equilibrium evolution code.In order to have the desired monotonic q-profile during a tokamak discharge,a successful preparation phase is required.In our simulation,the plasma current is ramped up from 100 kA to a flat-top maximum of 1.0 MA for four seconds.An ICRH power of 1 MW is applied until the plasma shape is formed at the moment of 4 s,and then the power is raised to 3 MW.A LHCD power of 3.5 MW is applied from is to optimize the plasma current density profile.A series of simulations are performed to study the influence of the time of applying the auxiliary heating on the plasma parameters.Based on these simulations,a scheme is proposed and tested for the control of the safety factor profile,which is very useful in real time profile control in tokamak experiments.

  8. Improvement of Mooring Configurations in Geraldton Harbour

    Directory of Open Access Journals (Sweden)

    Wim van der Molen

    2015-12-01

    Full Text Available Ports exposed to high energy long wave conditions can experience significantly reduced berth operability. Geraldton is perhaps one of the best known examples. Recent studies to mitigate the problems have concentrated on the reduction of the long waves by extending the breakwater. However, this is quite costly. Various countermeasures related to the mooring configuration are defined and analysed in this paper. The analysed alternatives are use of shore-based mooring lines, installation of softer fenders, a combination of these two, and deployment of Cavotec MoorMaster™ units. These alternatives were compared with the existing mooring configuration and with the option to extend the breakwater. The best improvement (50% increase of threshold long wave height inside the harbour is reached by installing a combination of pneumatic fenders and constant tension winches set to 30 t, or nylon breast lines on a brake winch with a pretension of 25 t. In this way, the vessel is pulled into the fenders and fender friction prevents excessive surging of the ship along the berth.

  9. HotSpot Software Configuration Management Plan

    Energy Technology Data Exchange (ETDEWEB)

    Walker, H; Homann, S G

    2009-03-12

    This Software Configuration Management Plan (SCMP) describes the software configuration management procedures used to ensure that the HotSpot dispersion model meets the requirements of its user base, which includes: (1) Users of the PC version of HotSpot for consequence assessment, hazard assessment and safety analysis calculations; and (2) Users of the NARAC Web and iClient software tools, which allow users to run HotSpot for consequence assessment modeling These users and sponsors of the HotSpot software and the organizations they represent constitute the intended audience for this document. This plan is intended to meet Critical Recommendations 1 and 3 from the Software Evaluation of HotSpot and DOE Safety Software Toolbox Recommendation for inclusion of HotSpot in the Department of Energy (DOE) Safety Software Toolbox. HotSpot software is maintained for the Department of Energy Office of Emergency Operations by the National Atmospheric Release Advisory Center (NARAC) at Lawrence Livermore National Laboratory (LLNL). An overview of HotSpot and NARAC are provided.

  10. LDA optical setup using holographic imaging configuration

    Science.gov (United States)

    Ghosh, Abhijit; Nirala, A. K.

    2015-11-01

    This paper describes one of the possible ways for improving fringe quality at LDA measuring volume using a holographic imaging configuration consisting of a single hololens. For its comparative study with a conventional imaging configuration, a complete characterization of fringes formed at the measurement volume by both the configuration is presented. Results indicate the qualitative as well as quantitative improvement of the fringes formed at measurement volume by the holographic imaging configuration. Hence it is concluded that use of holographic imaging configuration for making LDA optical setup is a better choice than the conventional one.

  11. Configuration information acquisition and matching in self-reconfiguring process of modular self-reconfigurable robots

    Institute of Scientific and Technical Information of China (English)

    Ren Zongwei; Zang Xizhe; Zhu Yanhe; Zhang Yuhua; Zhao Jie

    2008-01-01

    Configuration information acquisition and matching are two important steps in the self-reconfiguring process of self-reconfigurable robots. The process of configuration information acquisition was introduced, and a self-reconfiguring configuration matching strategy based on graded optimization mechanism was proposed. The first-grade optimization was to search common connection between matching scheme and goal configuration. The second-grade optimization, whose object function was constructed in terms of configuration connectivity, was to search common topology according to the results of the first-grade optimization. The entire process of configuration information acquisition and matching was verified by an experiment and genetic algorithm (GA). The result shows the accuracy of the configuration information acquisition and the effectiveness of the configuration matching method.

  12. Supply chain configuration concepts, solutions, and applications

    CERN Document Server

    Chandra, Charu

    2016-01-01

    This book discusses the models and tools available for solving configuration problems, emphasizes the value of model integration to obtain comprehensive and robust configuration decisions, proposes solutions for supply chain configuration in the presence of stochastic and dynamic factors, and illustrates application of the techniques discussed in applied studies. It is divided into four parts, which are devoted to defining the supply chain configuration problem and identifying key issues, describing solutions to various problems identified, proposing technologies for enabling supply chain confirmations, and discussing applied supply chain configuration problems. Its distinguishing features are: an explicit focus on the configuration problem an in-depth coverage of configuration models an emphasis on model integration and application of information modeling techniques in decision-making New to this edition is Part II: Technologies, which introduces readers to various technologies being utilized for supply chai...

  13. Loop-driven graphical unitary group approach to the electron correlation problem, including configuration interaction energy gradients

    Energy Technology Data Exchange (ETDEWEB)

    Brooks, B.R.

    1979-09-01

    The Graphical Unitary Group Approach (GUGA) was cast into an extraordinarily powerful form by restructuring the Hamiltonian in terms of loop types. This restructuring allows the adoption of the loop-driven formulation which illuminates vast numbers of previously unappreciated relationships between otherwise distinct Hamiltonian matrix elements. The theoretical/methodological contributions made here include the development of the loop-driven formula generation algorithm, a solution of the upper walk problem used to develop a loop breakdown algorithm, the restriction of configuration space employed to the multireference interacting space, and the restructuring of the Hamiltonian in terms of loop types. Several other developments are presented and discussed. Among these developments are the use of new segment coefficients, improvements in the loop-driven algorithm, implicit generation of loops wholly within the external space adapted within the framework of the loop-driven methodology, and comparisons of the diagonalization tape method to the direct method. It is also shown how it is possible to implement the GUGA method without the time-consuming full (m/sup 5/) four-index transformation. A particularly promising new direction presented here involves the use of the GUGA methodology to obtain one-electron and two-electron density matrices. Once these are known, analytical gradients (first derivatives) of the CI potential energy are easily obtained. Several test calculations are examined in detail to illustrate the unique features of the method. Also included is a calculation on the asymmetric 2/sup 1/A' state of SO/sub 2/ with 23,613 configurations to demonstrate methods for the diagonalization of very large matrices on a minicomputer. 6 figures, 6 tables.

  14. Design of the Modern Agriculture Greenhouse Based on PLC and Configuration Technology%基于PLC和组态技术现代农业温室控制系统设计

    Institute of Scientific and Technical Information of China (English)

    付焕森; 赵振江

    2013-01-01

    泰州作为江苏省农业大市,在2012年提出5年内实现“现代化农业发展走在全省前列”,打造产品特色,质量和产量上有所突破。对于现代化农业,温室控制技术是关键。传统农业温室控制是根据农民种植经验,人工调节温度、湿度和二氧化碳浓度等影响农作物生长的参数,存在反应时间慢、浪费资源和产量低下等缺点。利用PLC技术、组态技术以及无线通信技术,实现PLC、组态触摸屏和GSM 报警器的通讯,实时显示当前参数,自动执行机构动作,远程发送故障报警信息,从而减轻农民负担,提高农作物生长的质量和产量。系统应用于泰州草莓生产基地,相比以往种植,草莓不仅在口味上有所改善,而且产量提高30%。试验结果证明,系统稳定可靠,界面操作方便,具有很好的推广价值。%Taizhou as an agricultural big city of Jiangsu province , proposed in 2012 in five years to achieve modernization of the agricultural development to go in complete province front row , to create the product features , quality and yield breakthrough .For the modernization of agriculture , greenhouse control technology is the key , traditional agriculture greenhouse control is based on the farmers planting experience , artificial regulation of temperature , humidity and the con-centration of carbon dioxide for crop growth parameters , reaction time is slow , resource waste , low yield .Using PLC technology , configuration technology and wireless communication technology , PLC, configuration of touch screen and GSM alarm communication , real-time display the current parameters , automatic action of the actuator , a remote trans-mission fault alarm information , so as to reduce farmer burden , raise crop growth quality and yield .In the system used in Taizhou strawberry production base , compared to previous plant , not only in the taste of strawberry were improved , and

  15. 支持ModBus协议的组态式人机界面系统的设计∗%Configurable Human Computer Interface System Design Based on ModBus Protocol

    Institute of Scientific and Technical Information of China (English)

    何鹏飞; 何平; 张琼琼; 赵鸿博

    2015-01-01

    人机界面在工业控制领域得到广泛应用。针对传统人机界面画面固定,通用性差等缺点,采用STM32平台设计了一种基于组态式的,画面可重配置的人机界面系统。通过组态软件设计画面,从而应用到不同的设备或工业控制系统。文章提出一种多层次的有限状态机来实现画面的显示与跳转,从而可以实现复杂画面逻辑。并采用ModBus协议将其应用于多轴控制器中,实现对电机速度、位移、报警信息等参数的显示与修改。对ModBus协议的支持,可以实现连接不同的设备和一个设备网络,从而监控多个设备中的状态参数。%HMI ( Human Machine Interface ) is widely applied in industrial control filed. Traditional HMI have disadvantages of poor universality and fixed pictures. Design a new one with a Feature of pictures reconfiguration based on STM32 platform. Through the configuration software design of the screen, which is applied to different equipment or the industrial control system. Proposed a multi-level finite state machine to implement display and jump functions. And the ModBus protocol has been used in the multi-axis controller to achieve the visualization and modification of motor parameters comprising speed, displacement, alarm in-formation and so forth.

  16. 旋量理论的变胞机构全构态动力学模型%Configuration-complete dynamic model of metamorphic mechanism based on screw theory

    Institute of Scientific and Technical Information of China (English)

    刘秀莲; 张校东

    2013-01-01

    为丰富和发展机构学理论,通过引入切断铰,将空间串并联机构的运动学分析问题转化为开链机构和局部闭链机构的运动学分析子问题,基于旋量理论建立切断铰空间机构的运动学和动力学模型.采用旋量理论和Kane方法对五杆两自由度闭链变胞机构的广义主动力和广义惯性力进行了计算,并建立切割变胞机构的全构态动力学方程.该方法为变胞机构的动力学建模提供了参考依据.%This paper is an attempt to enrich and develop the theory of mechanism by transforming motion analysis problem of spatial series-parallel mechanism into motion analysis sub-problem of open chain and closed-chain mechanism as a result of cut-off joint and developing kinematics and dynamics models of spatial mechanism based on screw theory.The paper describes the calculation of the inertia main force and the inertia main torque using screw theory and Kane method in the case of the two DOF of five rods closed chain metamorphic mechanism and the development of the configuration-complete dynamic model for metamorphic mechanism.This model provides some reference for dynamics model of metamorphic mechanism.

  17. Initial alignment method of MEMS SINS based on accelerometer redundant configuration%基于加速度计余度配置的MEMS捷联惯导初始对准方法

    Institute of Scientific and Technical Information of China (English)

    钱伟行; 朱欣华; 苏岩

    2011-01-01

    The performance of initial alignment is an important factor that influences the attitude control and ballistic correction effects of intelligent munitions system. A novel structure based on 3-axial accelerometer redundant configuration for conventional strapdown inertial navigation system (SINS) is put forward, and an improved initial alignment method on condition of large pitch angle is proposed for rocket-borne MEMS SINS. The actual performance test is made on high-precision turntable, and the result shows that the improved system structure and alignment method have effectively improved the alignment accuracy and accelerometer bias stability. The research results can provide references for the theoretical research and engineering application of rocket-borne MEMS SINS.%初始对准性能是影响智能弹药姿态控制与弹道修正效果的重要因素之一.针对弹载MEMS捷联惯性导航系统,研究了一种基于常规捷联惯导系统结构的3轴加速度计斜装余度配置系统结构改进方案,以及该结构的系统在大俯仰角条件下的初始对准方法,并在高精度转台上进行了对准方法的实际性能验证.实验结果表明了MEMS惯导系统的改进结构与初始对准方法,在载体大俯仰角条件下提高初始对准精度与加速度计偏置稳定性的有效性.本文的研究可为弹载环境下的MEMS惯性导航系统提供理论研究与工程应用参考.

  18. 基于负荷组合与光伏电源匹配算法的微电网配置%Microgrid Configuration Based on Matching Algorithm between Load Combination and Photovoltaic DG

    Institute of Scientific and Technical Information of China (English)

    伍言; 刘俊勇; 刘友波; 刘继春

    2012-01-01

    微电网中的负荷与可再生电源的输出功率具有不同日分布特性,为此,建立了兼顾负荷侧与用电侧的微电网投资效益模型,提出了基于负荷与光伏电源功率匹配算法的微电网配置方法。通过构造有根树,对微电网供电可行域内的负荷组合进行遍历,评价不同组合下负荷叠加曲线对光伏电源发电曲线的适应度。根据适应度评价结果,划定微电网的最优供电区域。最后在此基础上,进行全年模拟运行,确定微电网内各微源和储能设备的容量,使投资效益达到最优。以RBTSBus6系统为例进行计算分析,验证所述方法的有效性。%In microgrid,the load and the renewable power output are different in daily distribution properties.Therefore,this paper establishes microgrid investment benefit model,taking into account both the load side and power side of microgrid,as well as proposes microgrid configuration method based on the matching algorithm between load and photovoltaic DG.Rooted trees are formulated to traverse all the possible load combinations,and accordingly evaluate the closeness degrees between combined load curves and photovoltaic DG output curve.Based on the results,the capacities of DGs and energy storage devices are determined by simulating the whole-year operation,thus optimizing the investment benefit.A calculation example based on RBTS-BUS 6 system verifies the effectiveness of the proposed method.

  19. Configurable software for satellite graphics

    Energy Technology Data Exchange (ETDEWEB)

    Hartzman, P D

    1977-12-01

    An important goal in interactive computer graphics is to provide users with both quick system responses for basic graphics functions and enough computing power for complex calculations. One solution is to have a distributed graphics system in which a minicomputer and a powerful large computer share the work. The most versatile type of distributed system is an intelligent satellite system in which the minicomputer is programmable by the application user and can do most of the work while the large remote machine is used for difficult computations. At New York University, the hardware was configured from available equipment. The level of system intelligence resulted almost completely from software development. Unlike previous work with intelligent satellites, the resulting system had system control centered in the satellite. It also had the ability to reconfigure software during realtime operation. The design of the system was done at a very high level using set theoretic language. The specification clearly illustrated processor boundaries and interfaces. The high-level specification also produced a compact, machine-independent virtual graphics data structure for picture representation. The software was written in a systems implementation language; thus, only one set of programs was needed for both machines. A user can program both machines in a single language. Tests of the system with an application program indicate that is has very high potential. A major result of this work is the demonstration that a gigantic investment in new hardware is not necessary for computing facilities interested in graphics.

  20. The Networked Manufacturing Resources Optimizing Configuration System and Its Partners Selection Method

    Institute of Scientific and Technical Information of China (English)

    DONG Zhao-yang; SUN Shu-dong

    2006-01-01

    The three levels optimizing strategy is put forward for the networked manufacturing resources optimizing configuration, namely, the optimizing of a logical manufacturing process,the optimizing of simulation-based integration of process planning and scheduling, and the optimizing of networked production scheduling. Then, the web services-based architecture of networked manufacturing resources optimizing configuration is brought forward. Finally, the key algorithm of the networked manufacturing resources optimizing configuration is discussed, namely, the two phases manufacturing partners selection method, which including the group technology-based manufacturing resources pre-configuration and the genetic algorithm-based executable manufacturing process optimizing.