WorldWideScience

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......-DFT/B3LYP (0.27 and 0.44 eV, respectively), whereas TD-DFT/BP86 and TD-DFT/BHLYP are significantly less accurate. The energies of singlet states with double excitation character are generally overestimated by TD-DFT, whereas triplet state energies are systematically underestimated by the currently...

  2. Multi-reference Hartree-Fock configuration interaction calculations of LiH and Be using a new double-zeta atomic base.

    Science.gov (United States)

    de Cerqueira Sobrinho, Antonio Moreira; de Andrade, Micael Dias; Nascimento, Marco Antônio Chaer; Malbouisson, Luiz Augusto Carvalho

    2014-08-01

    In this work, we propose new double-zeta atomic bases for the Li and Be atoms. These were obtained by applying the Hartree-Fock-Gauss generalized simulated annealing (GSA) method-a modified form of the GSA algorithm. The new bases were generated through optimization of the atomic electronic energy functional with regards to the linear combination of atomic orbitals-molecular orbital (LCAO-MO) coefficients, and exponent and contraction coefficients of the primitive Gaussian functions, simultaneously. These new bases were tested by performing calculations of the ground state energy of the Be atom, and the ground state energy and permanent electrical dipole moment of the LiH molecule, using the multi-reference Hartree-Fock (HF) configuration interaction method-a multi-reference method based on multiple HF solutions. In addition, multi-reference HF configuration interaction calculations were performed for the Be atom using the standard double-zeta, triple-zeta and polarized double-zeta bases. With the new double-zeta bases and with reduced multi-reference HF bases, it was possible to obtain lower energies than those obtained with the full configuration interaction calculations using the standard double-zeta bases and dipole moment values in close agreement with experimental values. PMID:25102937

  3. Multireference X-Ray Emission and Absorption Spectroscopy calculations from Monte Carlo Configuration Interaction

    CERN Document Server

    Coe, J P

    2015-01-01

    We adapt the method of Monte Carlo configuration interaction to calculate core-hole states and use this for the computation of X-ray emission and absorption values. We consider CO, CH$_{4}$, NH$_{3}$, H$_{2}$O, HF, HCN, CH$_{3}$OH, CH$_{3}$F, HCl and NO using a 6-311G** basis. We also look at carbon monoxide with a stretched geometry and discuss the dependence of its results on the cutoff used. The Monte Carlo configuration interaction results are compared with EOM-CCSD values for X-ray emission and with experiment for X-ray absorption. Oscillator strengths are also computed and we quantify the multireference nature of the wavefunctions to suggest when approaches based on a single reference would be expected to be successful.

  4. Multi-scale multireference configuration interaction calculations for large systems using localized orbitals: Partition in zones

    Science.gov (United States)

    Chang, Cristian; Calzado, Carmen J.; Amor, Nadia Ben; Marin, Jose Sanchez; Maynau, Daniel

    2012-09-01

    A new multireference configuration interaction method using localised orbitals is proposed, in which a molecular system is divided into regions of unequal importance. The advantage of dealing with local orbitals, i.e., the possibility to neglect long range interaction is enhanced. Indeed, while in the zone of the molecule where the important phenomena occur, the interaction cut off may be as small as necessary to get relevant results, in the most part of the system it can be taken rather large, so that results of good quality may be obtained at a lower cost. The method is tested on several systems. In one of them, the definition of the various regions is not based on topological considerations, but on the nature, σ or π, of the localised orbitals, which puts in evidence the generality of the approach.

  5. Size-extensivity-corrected multireference configuration interaction schemes to accurately predict bond dissociation energies of oxygenated hydrocarbons.

    Science.gov (United States)

    Oyeyemi, Victor B; Krisiloff, David B; Keith, John A; Libisch, Florian; Pavone, Michele; Carter, Emily A

    2014-01-28

    Oxygenated hydrocarbons play important roles in combustion science as renewable fuels and additives, but many details about their combustion chemistry remain poorly understood. Although many methods exist for computing accurate electronic energies of molecules at equilibrium geometries, a consistent description of entire combustion reaction potential energy surfaces (PESs) requires multireference correlated wavefunction theories. Here we use bond dissociation energies (BDEs) as a foundational metric to benchmark methods based on multireference configuration interaction (MRCI) for several classes of oxygenated compounds (alcohols, aldehydes, carboxylic acids, and methyl esters). We compare results from multireference singles and doubles configuration interaction to those utilizing a posteriori and a priori size-extensivity corrections, benchmarked against experiment and coupled cluster theory. We demonstrate that size-extensivity corrections are necessary for chemically accurate BDE predictions even in relatively small molecules and furnish examples of unphysical BDE predictions resulting from using too-small orbital active spaces. We also outline the specific challenges in using MRCI methods for carbonyl-containing compounds. The resulting complete basis set extrapolated, size-extensivity-corrected MRCI scheme produces BDEs generally accurate to within 1 kcal/mol, laying the foundation for this scheme's use on larger molecules and for more complex regions of combustion PESs. PMID:25669533

  6. 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

  7. Convergence to the configuration-set limit in multireference configuration-interaction calculations on the He dimer

    International Nuclear Information System (INIS)

    The multireference configuration-interaction (MR-CI) method is used to calculate the binding energy of the He dimer. The convergence of the binding energy to the configuration-set limit (full-CI) is followed by progressively extending the multireference configuration set. Two variants of the Pople size-extensivity correction are applied. The distance dependence of the corrections and hence the effect upon the binding energy turns out to be very small. The effect of orbital optimization is studied and it is shown that it is sufficient to optimize the orbitals used for the multireference space in an atomic multiconfiguration self-consistent field (MCSCF) calculation. In a basis of 50 atomic orbitals, the full-CI binding energy of -9.08 K can be reproduced to 0.00 K (0.02 K) in calculations using only 37 (27) reference configurations, built from the atomic 1s, 2s, 2p, and 3s natural orbitals. Using a very large basis, the 37-reference set gives a best binding energy of -10.87 K, in satisfactory agreement with Aziz's recent semiempirical result of -10.95 K. These findings suggest that the MR-CI method can be developed into an efficient tool for calculating accurate van der Waals interaction energies for larger systems

  8. Assessment of multireference approaches to explicitly correlated full configuration interaction quantum Monte Carlo

    Science.gov (United States)

    Kersten, J. A. F.; Booth, George H.; Alavi, Ali

    2016-08-01

    The Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method has proved able to provide near-exact solutions to the electronic Schrödinger 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 Kong and Valeev [J. Chem. Phys. 135, 214105 (2011)] and the explicitly correlated canonical transcorrelation approach of Yanai and Shiozaki [J. Chem. Phys. 136, 084107 (2012)]. The former is an a posteriori internally contracted perturbative approach, while the latter transforms the Hamiltonian prior to the FCIQMC simulation. These comparisons are made across the 55 molecules of the G1 standard set. We found that both methods consistently reduce the basis set incompleteness, for accurate atomization energies in small basis sets, reducing the error from 28 mEh to 3-4 mEh. While many of the conclusions hold in general for any combination of multireference approaches with these methodologies, we also consider FCIQMC-specific advantages of each approach.

  9. Assessment of multireference approaches to explicitly correlated full configuration interaction quantum Monte Carlo.

    Science.gov (United States)

    Kersten, J A F; Booth, George H; Alavi, Ali

    2016-08-01

    The Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method has proved able to provide near-exact solutions to the electronic Schrödinger 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 Kong and Valeev [J. Chem. Phys. 135, 214105 (2011)] and the explicitly correlated canonical transcorrelation approach of Yanai and Shiozaki [J. Chem. Phys. 136, 084107 (2012)]. The former is an a posteriori internally contracted perturbative approach, while the latter transforms the Hamiltonian prior to the FCIQMC simulation. These comparisons are made across the 55 molecules of the G1 standard set. We found that both methods consistently reduce the basis set incompleteness, for accurate atomization energies in small basis sets, reducing the error from 28 mEh to 3-4 mEh. While many of the conclusions hold in general for any combination of multireference approaches with these methodologies, we also consider FCIQMC-specific advantages of each approach. PMID:27497549

  10. 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.

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

    International Nuclear Information System (INIS)

    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 IP3 through IP6

  12. Complex multireference configuration interaction calculations for the K-vacancy Auger states of Nq+ (q = 2-5) ions

    International Nuclear Information System (INIS)

    K-vacancy Auger states of Nq+ (q = 2-5) ions are studied by using the complex multireference single- and double-excitation configuration interaction (CMRD-CI) method. The calculated resonance parameters are in good agreement with the available experimental and theoretical data. It shows that the resonance positions and widths converge quickly with the increase of the atomic basis sets in the CMRD-CI calculations; the standard atomic basis set can be employed to describe the atomic K-vacancy Auger states well. The strong correlations between the valence and core electrons play important roles in accurately determining those resonance parameters, Rydberg electrons contribute negligibly in the calculations. Note that it is the first time that the complex scaling method has been successfully applied for the B-like nitrogen. CMRD-CI is readily extended to treat the resonance states of molecules in the near future

  13. 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...

  14. Theoretical study of the low-lying excited states of {beta}-carotene isomers by a multireference configuration interaction method

    Energy Technology Data Exchange (ETDEWEB)

    Ceron-Carrasco, Jose P., E-mail: jpceron@um.es [Departamento de Quimica Fisica, Universidad de Murcia, Campus de Espinardo, 30100 Murcia (Spain); Requena, Alberto, E-mail: rqna@um.es [Departamento de Quimica Fisica, Universidad de Murcia, Campus de Espinardo, 30100 Murcia (Spain); Marian, Christel M., E-mail: Christel.Marian@uni-duesseldorf.de [Institute of Theoretical and Computational Chemistry, Heinrich-Heine-University, Duesseldorf, Universitaetsstr. 1, D-40225 Duesseldorf (Germany)

    2010-07-19

    Graphical abstract: Quantum chemical calculations reveal a linear correlation between the intensity of the cis-band and the shape of {beta}-carotene isomers. - Abstract: The combined density functional theory and multireference configuration interaction method (DFT/MRCI) has been employed to explore the ground and low-lying electronically excited states of various {beta}-carotene monocis and dicis isomers. Although the excitation energies are generally somewhat underestimated by DFT/MRCI, the experimental trends are well reproduced and allow an interpretation of the main bands of the UV-Vis spectra. The optically bright signal is correctly assigned to S{sub 0}{yields}S{sub 2}, corresponding to the HOMO {yields} LUMO transition, whereas the so-called cis-band originates mainly from the S{sub 0}{yields}S{sub 4} transition and arises from HOMO-1 {yields} LUMO and HOMO {yields} LUMO+1 excitations. The calculations reveal a correlation between the oscillator strengths of these transitions and the C6-C6' distance thus explaining the effect of the molecular configuration on the shape of the UV-Vis spectra.

  15. Multireference relativistic configuration-interaction calculations for (d+s)n transition-metal atomic states: Application to Zr II hyperfine structure

    International Nuclear Information System (INIS)

    Our relativistic configuration-interaction (RCI) methodology has been extended to multireference cases, and improved to permit the construction of angular-momentum functions of arbitrary size, and to minimize the number of vectors needed with each configuration. We report RCI calculations on the fine (fs) and hyperfine (hfs) structure for the (d+s)3 J=0.5 and 1.5 levels of Zr II. The average fs error is 0.075 eV, and 17% for hfs, when compared to available experiment. These results indicate that it is possible to correctly position all levels of (d+s)n configurations in the transition-metal atoms

  16. Study on spectroscopic parameters and molecular constants of HC1(X1Σ+) molecule by using multireference configuration interaction approach

    International Nuclear Information System (INIS)

    Equilibrium internuclear separations, harmonic frequencies and potential energy curves (PECs) of HC1(X1Σ+) molecule are investigated by using the highly accurate valence internally contracted multireference configuration interaction (MRCI) approach in combination with a series of correlation-consistent basis sets in the valence range. The PECs are all fitted to the Murrell–Sorbie function, and they are used to accurately derive the spectroscopic parameters (De, D0, ωeχe, αe and Be). Compared with the available measurements, the PEC obtained at the basis set, aug-cc-pV5Z, is selected to investigate the vibrational manifolds. The constants D0, De, Re, ωe, ωeχe, αe and Be at this basis set are 4.4006 eV, 4.5845 eV, 0.12757 nm, 2993.33 cm−1, 52.6273 cm−1, 0.2981 cm−1 and 10.5841 cm−1, respectively, which almost perfectly conform to the available experimental results. With the potential determined at the MRCI/aug-cc-pV5Z level of theory, by numerically solving the radial Schrödinger equation of nuclear motion in the adiabatic approximation, a total of 21 vibrational levels are predicted. Complete vibrational levels, classical turning points, inertial rotation and centrifugal distortion constants are reproduced, which are in excellent agreement with the available Rydberg–Klein–Rees data. Most of these theoretical vibrational manifolds are reported for the first time to the best of our knowledge. (atomic and molecular physics)

  17. 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.

  18. Multireference explicitly correlated F12 theories

    Science.gov (United States)

    Shiozaki, Toru; Werner, Hans-Joachim

    2013-03-01

    We review our recent developments in multireference explicitly correlated F12 theories (explicitly correlated internally contracted multireference perturbation and multireference configuration interaction theories) that achieve near-basis-set-limit accuracy of the underlying multireference electron correlation methods with basis sets of medium size. The applicability of the multireference F12 theories is the same as that of their non-F12 counterpart, and therefore it is a computational tool with predictive accuracy for complicated electronic structures with strong correlation. A comparison with the earlier developments by others is also discussed.

  19. A multireference configuration interaction study of the hyperfine structure of the molecules CCO, CNN, and NCN in their triplet ground states

    Science.gov (United States)

    Suter, H. U.; Huang, M.-B.; Engels, B.

    1994-11-01

    The hyperfine structures of the isoelectronic molecules CCO, CNN, and NCN in their triplet ground states (X 3Σ-) are investigated by means of ab initio methods. The infrared frequencies and geometries are determined and compared with experiment. Configuration selected multireference configuration interaction calculations in combination with perturbation theory to correct the wave function (MRD-CI/BK) employing extended atomic orbital (AO) basis sets yielded very accurate hyperfine properties. The theoretical values for CCO are in excellent agreement with the experimental values determined by Smith and Weltner [J. Chem. Phys. 62, 4592 (1975)]. For CNN, the first assignment of Smith and Weltner for the two nitrogen atoms has to be changed. A qualitative discussion of the electronic structure discloses no simple relation between the structure of the singly occupied orbitals and the measured hyperfine coupling constants. Vibrational effects were found to be of little importance.

  20. Complex multireference configuration interaction calculations for the K-vacancy Auger states of N{sup q+} (q = 2-5) ions

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Yi-Geng [Department of Modern Physics, Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026 (China); Data Center for High Energy Density Physics, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China); Wu, Yong, E-mail: wu-yong@iapcm.ac.cn; Wang, Jian-Guo [Data Center for High Energy Density Physics, Institute of Applied Physics and Computational Mathematics, P.O. Box 8009, Beijing 100088 (China); Zhu, Lin-Fan [Department of Modern Physics, Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026 (China); Zhang, Song Bin [School of Physics and Information Technology, Shaanxi Normal University, Xi’an 710062 (China); Max Planck Institute for the Structure and Dynamics of Matter (MPSD) and Center for Free-Electron Laser Science (CFEL), 22761 Hamburg (Germany); Liebermann, H.-P.; Buenker, R. J. [Fachbereich C-Mathematik und Naturwissenschaften, BergischeUniversität Wuppertal, D-42097 Wuppertal (Germany)

    2016-02-07

    K-vacancy Auger states of N{sup q+} (q = 2-5) ions are studied by using the complex multireference single- and double-excitation configuration interaction (CMRD-CI) method. The calculated resonance parameters are in good agreement with the available experimental and theoretical data. It shows that the resonance positions and widths converge quickly with the increase of the atomic basis sets in the CMRD-CI calculations; the standard atomic basis set can be employed to describe the atomic K-vacancy Auger states well. The strong correlations between the valence and core electrons play important roles in accurately determining those resonance parameters, Rydberg electrons contribute negligibly in the calculations. Note that it is the first time that the complex scaling method has been successfully applied for the B-like nitrogen. CMRD-CI is readily extended to treat the resonance states of molecules in the near future.

  1. B3Σ−u−X3Σ−g transition in selenium dimer: ab initio multireference configuration interaction calculations

    International Nuclear Information System (INIS)

    Theoretical investigation of low-lying electronic states and B3Σ−u−X3Σ−g transition properties of selenium dimer using size-extensivity singly and doubly excitation multireference configuration interaction theory with nonrelativistic all-electron basis set and relativistic effective core potential plus its split valence basis set is presented in this paper. The spectroscopic constants of ten low-lying Λ−S bound states have been obtained and compared with experiments. Spin-orbit calculations for coupling between B3Σ−u sates and repulsive 1Πu, 5Πu states have been made to interpret the predissociation mechanisms of the B3Σ−u state. The lifetimes of B3Σ−u (ν = 0 ∼ 6) have been calculated with scalar relativistic effects included or excluded, respectively, and reasonably agree with experimental values. (atomic and molecular physics)

  2. Risk-based configuration control

    International Nuclear Information System (INIS)

    The presentation discusses the following issues: The Configuration Control; The Risk-based Configuration Control (during power operation mode, and during shutdown mode). PSA requirements. Use of Risk-based Configuration Control System. Configuration Management (basic elements, benefits, information requirements)

  3. Free electrons and ionic liquids: study of excited states by means of electron-energy loss spectroscopy and the density functional theory multireference configuration interaction method.

    Science.gov (United States)

    Regeta, Khrystyna; Bannwarth, Christoph; Grimme, Stefan; Allan, Michael

    2015-06-28

    The technique of low energy (0-30 eV) electron impact spectroscopy, originally developed for gas phase molecules, is applied to room temperature ionic liquids (IL). Electron energy loss (EEL) spectra recorded near threshold, by collecting 0-2 eV electrons, are largely continuous, assigned to excitation of a quasi-continuum of high overtones and combination vibrations of low-frequency modes. EEL spectra recorded by collecting 10 eV electrons show predominantly discrete vibrational and electronic bands. The vibrational energy-loss spectra correspond well to IR spectra except for a broadening (∼0.04 eV) caused by the liquid surroundings, and enhanced overtone activity indicating a contribution from resonant excitation mechanism. The spectra of four representative ILs were recorded in the energy range of electronic excitations and compared to density functional theory multireference configuration interaction (DFT/MRCI) calculations, with good agreement. The spectra up to about 8 eV are dominated by π-π* transitions of the aromatic cations. The lowest bands were identified as triplet states. The spectral region 2-8 eV was empty in the case of a cation without π orbitals. The EEL spectrum of a saturated solution of methylene green in an IL band showed the methylene green EEL band at 2 eV, indicating that ILs may be used as a host to study nonvolatile compounds by this technique in the future. PMID:26018044

  4. 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

  5. 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.

  6. Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization.

    Science.gov (United States)

    Saitow, Masaaki; Kurashige, Yuki; Yanai, Takeshi

    2015-11-10

    We present an extended implementation of the multireference configuration interaction (MRCI) method combined with the quantum-chemical density matrix renormalization group (DMRG). In the previous study, we introduced the combined theory, referred to as DMRGMRCI, as a method to calculate high-level dynamic electron correlation on top of the DMRG wave function that accounts for active-space (or strong) correlation using a large number of active orbitals. The DMRG-MRCI method is built on the full internal-contraction scheme for the compact reference treatment and on the cumulant approximation for the treatment of the four-particle rank reduced density matrix (4-RDM). The previous implementation achieved the MRCI calculations with the active space (24e,24o), which are deemed the record largest, whereas the inherent Nact 8 × N complexity of computation was found a hindrance to using further large active space. In this study, an extended optimization of the tensor contractions is developed by explicitly incorporating the rank reduction of the decomposed form of the cumulant-approximated 4-RDM into the factorization. It reduces the computational scaling (to Nact7 × N) as well as the cache-miss penalty associated with direct evaluation of complex cumulant reconstruction. The present scheme, however, faces the increased complexity of factorization patterns for optimally implementing the tensor contraction terms involving the decomposed 4-RDM objects. We address this complexity using the enhanced symbolic manipulation computer program for deriving and coding programmable equations. The new DMRG-MRCI implementation is applied to the determination of the stability of the iron(IV)-oxo porphyrin relative to the iron(V) electronic isomer (electromer) using the active space (29e,29o) (including four second d-shell orbitals of iron) with triple-ζ-quality atomic orbital basis sets. The DMRG-cu(4)-MRCI+Q model is shown to favor the triradicaloid iron(IV)-oxo state as the lowest

  7. Multireference Coupled Cluster Ansatz

    OpenAIRE

    Jeziorski, Bogumil

    2010-01-01

    Abstract The origin of the multireference coupled cluster Ansatz for the wave function and the wave operator, discovered in Quantum Theory Project in 1981, is presented from the historical perspective. Various methods of obtaining the cluster amplitudes - both state universal and state selective are critically reviewed and further prospects of using the multireference coupled cluster Ansatz in electronic structure theory are briefly discussed.

  8. 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.

  9. Risk-based configuration management

    International Nuclear Information System (INIS)

    Risk-based configuration management is an important research area of using PSA technology to evaluate and improve the Technical Specification Requirements of nuclear power plant. Some aspects on risk-based configuration management are discussed, including evaluation methods, risk acceptance criteria and essential elements which should be paid attention to during the management process. And results of the case study based on a real nuclear power plant are presented

  10. Context based configuration management system

    Science.gov (United States)

    Gawdiak, Yuri O. (Inventor); Gurram, Mohana M. (Inventor); Maluf, David A. (Inventor); Mederos, Luis A. (Inventor)

    2010-01-01

    A computer-based system for configuring and displaying information on changes in, and present status of, a collection of events associated with a project. Classes of icons for decision events, configurations and feedback mechanisms, and time lines (sequential and/or simultaneous) for related events are displayed. Metadata for each icon in each class is displayed by choosing and activating the corresponding icon. Access control (viewing, reading, writing, editing, deleting, etc.) is optionally imposed for metadata and other displayed information.

  11. A Local Pair Natural Orbital-Based Multireference Mukherjee’s Coupled Cluster Method

    Czech Academy of Sciences Publication Activity Database

    Demel, Ondřej; Pittner, Jiří

    2015-01-01

    Roč. 11, č. 7 (2015), s. 3104-3114. ISSN 1549-9618 R&D Projects: GA ČR GAP208/11/2222; GA ČR(CZ) GJ15-00058Y Institutional support: RVO:61388955 Keywords : ELECTRON CORRELATION METHODS * BRILLOUIN-WIGNER * CONFIGURATION-INTERACTION Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.498, year: 2014

  12. Multireference configuration interaction study on the potential energy curves and radiative lifetimes of low-lying excited states of CdH{sup +} cation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Xiaomei; Liang, Guiying; Li, Rui; Shi, Dandan; Liu, Yuchen; Liu, Xueshen; Xu, Haifeng, E-mail: xuhf@jlu.edu.cn; Yan, Bing, E-mail: yanbing@jlu.edu.cn

    2014-10-31

    Highlights: • The excited states of CdH{sup +} have been studied by multi-configuration wavefunctions. • The SOC effect on CdH{sup +} is accounted for via state interaction method. • Our spectroscopic results support the early experimental data. • The PDMs and SO matrix elements reveal the abrupt changes at R{sub ACP}. • The abrupt changes are explained with the aid of the wavefunctions. - Abstract: Ab initio calculations on CdH{sup +} cation have been performed with the high-level relativistic MRCI + Q method. The potential energy curves of seven low-lying Λ–S states, correlated with the dissociation limits Cd{sup +}({sup 2}S{sub g}) + H({sup 2}S{sub g}), Cd({sup 1}S{sub g}) + H{sup +}({sup 1}S{sub g}), and Cd{sup +}({sup 2}P{sub u}) + H({sup 2}S{sub g}), are computed. And the accurate spectroscopic constants of the bound Λ–S are determined. The permanent dipole moments (PDMs) of Λ–S states as well as the spin–orbit matrix elements are evaluated. The results indicate that the abrupt changes of PDMs and the spin–orbit matrix elements are attributed to the change of the electronic configurations at the avoided crossing point. After considering the spin–orbit coupling (SOC) effect, the 12 Ω states generated from the Λ–S states are investigated. It is indicated that the SOC effect is substantial for CdH{sup +}, leading to the double-well potential of (3)0{sup +} state. Finally, the transition properties of several transitions are reported, including the transition dipole moments, Franck–Condon factors, and radiative lifetimes.

  13. Multireference configuration interaction study on the potential energy curves and radiative lifetimes of low-lying excited states of CdH+ cation

    International Nuclear Information System (INIS)

    Highlights: • The excited states of CdH+ have been studied by multi-configuration wavefunctions. • The SOC effect on CdH+ is accounted for via state interaction method. • Our spectroscopic results support the early experimental data. • The PDMs and SO matrix elements reveal the abrupt changes at RACP. • The abrupt changes are explained with the aid of the wavefunctions. - Abstract: Ab initio calculations on CdH+ cation have been performed with the high-level relativistic MRCI + Q method. The potential energy curves of seven low-lying Λ–S states, correlated with the dissociation limits Cd+(2Sg) + H(2Sg), Cd(1Sg) + H+(1Sg), and Cd+(2Pu) + H(2Sg), are computed. And the accurate spectroscopic constants of the bound Λ–S are determined. The permanent dipole moments (PDMs) of Λ–S states as well as the spin–orbit matrix elements are evaluated. The results indicate that the abrupt changes of PDMs and the spin–orbit matrix elements are attributed to the change of the electronic configurations at the avoided crossing point. After considering the spin–orbit coupling (SOC) effect, the 12 Ω states generated from the Λ–S states are investigated. It is indicated that the SOC effect is substantial for CdH+, leading to the double-well potential of (3)0+ state. Finally, the transition properties of several transitions are reported, including the transition dipole moments, Franck–Condon factors, and radiative lifetimes

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

    DEFF Research Database (Denmark)

    Hvam, Lars; Malis, Martin

    2003-01-01

    lot of knowledge isput into these systems and many domain experts are involved. This calls for an effective documentation system in order to structure this knowledge in a way that fits to the systems. Standard configuration systems do not support this kind of documentation. The chapter deals 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....

  15. Multireference Character for 4d Transition Metal-Containing Molecules.

    Science.gov (United States)

    Wang, Jiaqi; Manivasagam, Sivabalan; Wilson, Angela K

    2015-12-01

    Four diagnostic criteria have been examined to identify the suitability of single-reference wave function-based quantum chemistry methods for a set of 118 4d transition metal species. These diagnostics include the weight of the leading configuration of the CASSCF wave function, C0(2); the Frobenius norm of the coupled cluster amplitude vector related to single excitations, T1; the matrix 2-norm of the coupled cluster T1 amplitude vector arising from coupled cluster calculations, D1; and the percent total atomization energy, %TAE, corresponding to a relationship between energies determined with CCSD and CCSD(T) calculations. New criteria, namely, T1 ≥ 0.045, D1 ≥ 0.120, and %TAE ≥ 10%, are herein proposed as a gauge for 4d transition metal-containing molecules to predict the possible need to employ multireference (MR) wave function-based methods to describe energetic and spectroscopic properties. PMID:26642991

  16. β -decay study within multireference density functional theory and beyond

    Science.gov (United States)

    Konieczka, M.; Bączyk, P.; Satuła, W.

    2016-04-01

    A pioneering study of Gamow-Teller (GT) and Fermi matrix elements (MEs) using no-core-configuration-interaction formalism rooted in multireference density functional theory is presented. After a successful test performed for 6He→6Liβ decay, the model is applied to compute MEs in the s d - and p f -shell T =1 /2 mirror nuclei. The calculated GT MEs and the isospin-symmetry-breaking corrections to the Fermi branch are found to be in very good agreement with shell-model predictions in spite of fundamental differences between these models concerning model space, treatment of correlations, or inclusion of a core. This result indirectly supports the two-body-current-based scenarios behind the quenching of the axial-vector coupling constant.

  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. Constraint-based specifications for system configuration

    OpenAIRE

    Hewson, John Aubrey

    2013-01-01

    Declarative, object-oriented configuration management systems are widely used, and there is a desire to extend such systems with automated analysis and decision-making. This thesis introduces a new formulation for configuration management problems based on the tools and techniques of constraint programming, which enables automated decision-making. We present ConfSolve, an object-oriented declarative configuration language, in which logical constraints on a system can be spec...

  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. 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.

  1. XVCL: XML-based Variant Configuration Language

    DEFF Research Database (Denmark)

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

    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...

  2. Configuration based Collisional-Radiative Model including configuration interaction

    Science.gov (United States)

    Busquet, Michel

    2007-11-01

    Atomic levels mixing through Configuration Interaction (CI) yields important effects. It transfers oscillator strengthes from allowed lines to forbidden lines, and produces strong shift and broadening of line arrays, although the total emissivity is almost insensitive to CI, being proportional to the average wave number. However for hi Z material, like Xe or Sn (potential xuv-ray source for micro-lithography), a non-LTE calculation accounting for all relevant levels wiill be untractable with billions of states. The model we constructed, CAVCRM (caf'e-crème), is a non-LTE C.R.M. where states are configurations but it includes C.I. to give full richness of spectral quantities, using the latest version of the HULLAC-v9 suite of codes and our newly developped algorithm for large set of states with as many as 50,000 states [1]. [1] M.Klapisch et al, this conference

  3. 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...

  4. Risk-based systems configuration monitoring system

    International Nuclear Information System (INIS)

    The paper presents the work done in the frame of the Research Contract No. 6993/RB - ''Risk based systems configuration monitoring system'' part of the coordinated programme ''Development of safety related expert systems''. The aim of this contract was to develop the prototype of an expert system based on PSA technology to be use for controlling the plant systems configuration taking into account the risk. The software prototype implementation was done using Visual Basic language, under Windows environment. The implemented prototype has the following features: store data/knowledge about components and human factor; store data/knowledge about the plant system and systems components, providing facilities to modify/search data/knowledge, based on the general knowledge; generate the logic model of the system; provide minimal cut sets and path sets determination; provide information to be used by the user for configuration risk management; provide user friendly interface (graphical interface under windows). The prototype can be independently used as an operator support system or for other on-line or off-line applications. After the testing of the prototype, some of the conclusions are: the developed software can be one of the most useful tools to be used by designers, PSA analysts, operators and regulatory for evaluation of the safety and reliability of the plant systems; the structure of the General Knowledge Base included into the prototype offers the possibility to combine knowledge introduced by different users. This feature can be the basis for the development of a knowledge acquisition system; the developed software and methodology can offer the basis for the risk-based data collection system development. (author). 12 refs, 30 figs

  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. Base drag prediction on missile configurations

    Science.gov (United States)

    Moore, F. G.; Hymer, T.; Wilcox, F.

    1993-01-01

    New wind tunnel data have been taken, and a new empirical model has been developed for predicting base drag on missile configurations. The new wind tunnel data were taken at NASA-Langley in the Unitary Wind Tunnel at Mach numbers from 2.0 to 4.5, angles of attack to 16 deg, fin control deflections up to 20 deg, fin thickness/chord of 0.05 to 0.15, and fin locations from 'flush with the base' to two chord-lengths upstream of the base. The empirical model uses these data along with previous wind tunnel data, estimating base drag as a function of all these variables as well as boat-tail and power-on/power-off effects. The new model yields improved accuracy, compared to wind tunnel data. The new model also is more robust due to inclusion of additional variables. On the other hand, additional wind tunnel data are needed to validate or modify the current empirical model in areas where data are not available.

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

    International Nuclear Information System (INIS)

    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. 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.

  9. Numerically oriented static response approach based on state-specific multi-reference coupled electron-pair approximation (SS-MRCEPA) like methods

    International Nuclear Information System (INIS)

    In this paper, we have exploited the recently developed state-specific multi-reference coupled electron-pair approximation (SS-MRCEPA) like methods for computing the electrostatic response properties. The SS-MRCEPA methods are formulated on complete active space reference functions and the required energies are computed via the diagonalization of an effective operator within this space. The SS-MRCEPA theories are size-consistent and size-extensive. They are very efficient for treating quasidegeneracy of varying extent and for bypassing the intruder problem. The efficacy of the methods is illustrated via the computation of the static dipole moment and polarizability of the ground state and the corresponding first excited state of the trapezoidal H4 model (H4) as well as the lowest two singlet states of the CH2 system using perturbed orbitals generated via the finite-field strategy, a numerically oriented static response approach

  10. Multireference linearized coupled cluster theory for strongly correlated systems using matrix product states

    International Nuclear Information System (INIS)

    We propose a multireference linearized coupled cluster theory using matrix product states (MPSs-LCC) which provides remarkably accurate ground-state energies, at a computational cost that has the same scaling as multireference configuration interaction singles and doubles, 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 Density Matrix Renormalization Group (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 up the use of multireference quantum chemical techniques in strongly correlated ab initio Hamiltonians, including two- and three-dimensional solids

  11. Generic configuration stellarator based on several concentric Fourier windings

    CERN Document Server

    Queral, Vicente

    2016-01-01

    Stellarators commonly comprise different sets of coils to produce diverse magnetic configurations. However, the diversity of possible configurations in a single device is usually rather limited. The achievement of a broad variety of magnetic configurations might be valuable for some purposes, for example, to assay the effect of the magnetic configuration on turbulent transport. Thus, a method is created to systematically define sets of modular coils located on concentric toroidal winding surfaces. The method is based on the expression of a Last Closed Flux Surface (LCFS) by Fourier coefficients in cylindrical coordinates and consists in the definition of successive windings located on equidistant concentric winding surfaces, each winding such that produces a magnetic field which, when added to the magnetic field generated by a sole base winding that generates a base magnetic configuration, produces a magnetic configuration whose LCFS is defined by the Fourier coefficients of the base magnetic configuration pl...

  12. Classifier based on support vector machine for JET plasma configurations

    International Nuclear Information System (INIS)

    The last flux surface can be used to identify the plasma configuration of discharges. For automated recognition of JET configurations, a learning system based on support vector machines has been developed. Each configuration is described by 12 geometrical parameters. A multiclass system has been developed by means of the one-versus-the-rest approach. Results with eight simultaneous classes (plasma configurations) show a success rate close to 100%.

  13. 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. PMID:27464026

  14. Developing a Matrix Based Sales Configurator for Modular Product

    OpenAIRE

    Antti Huuskonen

    2013-01-01

    For several years, the structuring approaches for modular product families have been developed in industry. The modularization leads often to the use of configurator, which is a computer application used to manage the relations of modules, connections and rules between different customer segments. Configurator brings benefits to the whole delivery process, by removing the information gaps from which are needed in the product order. Matrix based sales configurator can make order delivery proce...

  15. 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.

  16. 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.

  17. Study of operational risk-based configuration control

    International Nuclear Information System (INIS)

    This report studies aspects of a risk-based configuration control system to detect and control plant configurations from a risk perspective. Configuration control, as the term is used here, is the management of component configurations to achieve specific objectives. One important objective is to control risk and safety. Another is to operate efficiently and make effective use of available resources. PSA-based evaluations are performed to study configuration to core-melt frequency and core-melt probability for two plants. Some equipment configurations can cause large core-melt frequency and there are a number of such configurations that are not currently controlled by technical specifications. However, the expected frequency of occurrence of the impacting configurations is small and the core-melt probability contributions are also generally small. The insights from this evaluation are used to develop the framework for an effective risk-based configuration control system. The focal points of such a system and the requirements for tools development for implementing the system are defined. The requirements of risk models needed for the system, and the uses of plant-specific data are also discussed. 18 refs., 25 figs., 10 tabs

  18. Study of operational risk-based configuration control

    Energy Technology Data Exchange (ETDEWEB)

    Vesely, W E [Science Applications International Corp., Dublin, OH (United States); Samanta, P K; Kim, I S [Brookhaven National Lab., Upton, NY (United States)

    1991-08-01

    This report studies aspects of a risk-based configuration control system to detect and control plant configurations from a risk perspective. Configuration control, as the term is used here, is the management of component configurations to achieve specific objectives. One important objective is to control risk and safety. Another is to operate efficiently and make effective use of available resources. PSA-based evaluations are performed to study configuration to core-melt frequency and core-melt probability for two plants. Some equipment configurations can cause large core-melt frequency and there are a number of such configurations that are not currently controlled by technical specifications. However, the expected frequency of occurrence of the impacting configurations is small and the core-melt probability contributions are also generally small. The insights from this evaluation are used to develop the framework for an effective risk-based configuration control system. The focal points of such a system and the requirements for tools development for implementing the system are defined. The requirements of risk models needed for the system, and the uses of plant-specific data are also discussed. 18 refs., 25 figs., 10 tabs.

  19. 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...

  20. Global performance of multireference density functional theory for low-lying states in $sd$-shell nuclei

    CERN Document Server

    Wu, Xian-Ye

    2015-01-01

    We present a comprehensive study of low-lying states in even-even Ne, Mg, Si, S, Ar isotopes with the multireference density functional theory (MR-DFT) based on a relativistic point-coupling energy density functional (EDF). Beyond mean-field (BMF) effects are taken into account by configuration mixing of both particle-number and angular-momentum projected axially deformed states with generator coordinate method (GCM). Global performance of the MR-DFT for the properties of both ground state and of the first $2^+, 4^+$ states is examined, in comparison with previous studies based on nonrelativistic EDFs and available data. Our results indicate that an EDF parameterized at the BMF level is demanded to achieve a quantitative description.

  1. Developing a Matrix Based Sales Configurator for Modular Product

    Directory of Open Access Journals (Sweden)

    Antti Huuskonen

    2013-01-01

    Full Text Available For several years, the structuring approaches for modular product families have been developed in industry. The modularization leads often to the use of configurator, which is a computer application used to manage the relations of modules, connections and rules between different customer segments. Configurator brings benefits to the whole delivery process, by removing the information gaps from which are needed in the product order. Matrix based sales configurator can make order delivery process to go through faster, and especially help to keep the product knowledge of modules and modular structures of complex products in order as well as to make the updating of them easier by its illustrative user interface. MS Excel was used in the first developed version of the sales configurator prototype and it was found to be good platform for testing configurability in machine industry companies, because of its prevalence. Second development version, the server-client sales configurator expanded the possibilities of the application and improved user safety compared to the MS Excel version of the sales configurator and matrix rule table. The research project described in this paper was started because there was demand for a flexible sales configurator in local heavy machine industry. The paper describes the project where new prototype of sales configurator application was developed in just over a year in cooperation with case company from machine industry

  2. Multireference R12 coupled cluster theory

    Czech Academy of Sciences Publication Activity Database

    Kedžuch, S.; Demel, Ondřej; Pittner, Jiří; Noga, J.

    1. Dordrecht : Springer, 2010 - (Čársky, P.; Paldus, J.; Pittner, J.), s. 251-266 ISBN 978-90-481-2884-6. - (Challenges and Advances in Comput. Chem. Phys.. 11) R&D Projects: GA ČR GA203/07/0070 Institutional research plan: CEZ:AV0Z40400503 Keywords : Hilbert space * multireference coupled cluster * R12 approach Subject RIV: CF - Physical ; Theoretical Chemistry

  3. Electronic States of Difluorocarbene Calculated by Multireference Configuration Interaction Method

    Science.gov (United States)

    Er-Ping, Sun; Ting-Qi, Ren; Qi-Xin, Liu; Quan, Miao; Jin-Juan, Zhang; Hai-Feng, Xu; Bing, Yan

    2016-02-01

    Not Available Supported by the 2014 Postdoctoral Sustentation Fund of Qingdao under Grant No 01020120517, the Natural Science Foundation of Shandong Province under Grant No ZR2014AP001, the National Natural Science Foundation of China under Grant No 11447226, and the Scientific Research Foundation of Shandong University of Science and Technology for Recruited Talents under Grant No 2015RCJJ015.

  4. 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.

  5. 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.

  6. Towards Configuration of applied Web-based information system

    CERN Document Server

    Levin, Mark Sh

    2011-01-01

    In the paper, combinatorial synthesis of structure for applied Web-based systems is described. The problem is considered as a combination of selected design alternatives for system parts/components into a resultant composite decision (i.e., system configuration design). The solving framework is based on Hierarchical Morphological Multicriteria Design (HMMD) approach: (i) multicriteria selection of alternatives for system parts, (ii) composing the selected alternatives into a resultant combination (while taking into account ordinal quality of the alternatives above and their compatibility). A lattice-based discrete space is used to evaluate (to integrate) quality of the resultant combinations (i.e., composite system decisions or system configurations). In addition, a simplified solving framework based on multicriteria multiple choice problem is considered. A multistage design process to obtain a system trajectory is described as well. The basic applied example is targeted to an applied Web-based system for a c...

  7. 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.

  8. 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

  9. Sample-Based Planning with Volumes in Configuration Space

    CERN Document Server

    Shkolnik, Alexander

    2011-01-01

    A simple sample-based planning method is presented which approximates connected regions of free space with volumes in Configuration space instead of points. The algorithm produces very sparse trees compared to point-based planning approaches, yet it maintains probabilistic completeness guarantees. The planner is shown to improve performance on a variety of planning problems, by focusing sampling on more challenging regions of a planning problem, including collision boundary areas such as narrow passages.

  10. Simple regularization scheme for multi-reference density functional theories

    CERN Document Server

    Satula, Wojciech

    2014-01-01

    Background: Extensions of single-reference (SR) energy-density-functionals (EDFs) to multi-reference (MR) applications involve using the generalized Wick theorem (GWT), which leads to singular energy kernels that cannot be properly integrated to restore symmetries, unless the EDFs are generated by true interactions. Purpose: We propose a new method to regularize the MR EDFs, which is based on using auxiliary quantities obtained by multiplying the kernels with appropriate powers of overlaps. Methods: Regularized matrix elements of two-body interactions are obtained by integrating the auxiliary quantities and then solving simple linear equations. Results: We implement the new regularization method within the self-consistent Skyrme-Hartree-Fock approach and we perform a proof-of-principle angular-momentum projection (AMP) of states in odd-odd nucleus 26Al. We show that for EDFs generated by true interactions, our regularization method gives results identical to those obtained within the standard AMP procedure. W...

  11. Towards topic maps for a promise theory based configuration management

    OpenAIRE

    2009-01-01

    Knowledge management is the major challenge of today. Capturing expert information in a knowledge base that allows non-experts to locate it requires a carefully designed knowledge model. We attempt to discover whether the relationship between Topic Maps and Promise Theory can make configuration knowledge management easier, due to the promise model itself. Topic Maps is an ISO standard for representation and interchange of knowledge. Promise Theory on the other hand is a modelin...

  12. Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators

    Science.gov (United States)

    Li, Chenyang; Evangelista, Francesco A.

    2016-04-01

    The first nonperturbative version of the multireference driven similarity renormalization group (MR-DSRG) theory [C. Li and F. A. Evangelista, J. Chem. Theory Comput. 11, 2097 (2015)] is introduced. The renormalization group structure of the MR-DSRG equations ensures numerical robustness and avoidance of the intruder-state problem, while the connected nature of the amplitude and energy equations guarantees size consistency and extensivity. We approximate the MR-DSRG equations by keeping only one- and two-body operators and using a linearized recursive commutator approximation of the Baker-Campbell-Hausdorff expansion [T. Yanai and G. K.-L. Chan, J. Chem. Phys. 124, 194106 (2006)]. The resulting linearized MR-DSRG scheme with one- and two-body operators [MR-LDSRG(2)] contains only 39 terms and scales as O ( N 2 NP 2 NH 2 ) where NH, NP, and N correspond to the number of hole, particle, and total orbitals, respectively. Benchmark MR-LDSRG(2) computations on the hydrogen fluoride and molecular nitrogen binding curves and the singlet-triplet splitting of p-benzyne yield results comparable in accuracy to those from multireference configuration interaction, Mukherjee multireference coupled cluster theory, and internally contracted multireference coupled cluster theory.

  13. 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...

  14. Aerodynamic characteristics of missile configurations based on Soviet design concepts

    Science.gov (United States)

    Spearman, M. L.

    1979-01-01

    The aerodynamic characteristics of several missile concepts are examined. The configurations, which are based on some typical Soviet design concepts, include fixed-wing missiles with either forward- or aft-tail controls, and wing-control missiles with fixed aft stabilizing surfaces. The conceptual missions include air-to-air, surface-to-air, air-to-surface, and surface-to-surface. Analytical and experimental results indicate that through the proper shaping and location of components, and through the exploitation of local flow fields, the concepts provide generally good stability characteristics, high control effectiveness, and low control hinge moments. In addition, in the case of some cruise-type missions, there are indications of the application of area ruling as a means of improving the aerodynamic efficiency. In general, a point-design philosophy is indicated whereby a particular configuration is developed for performing a particular mission.

  15. 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...

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

    OpenAIRE

    Boguslawski, Katharina; Tecmer, Paweł; 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 charact...

  17. 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.

  18. Open-shell nuclei and excited states from multireference normal-ordered Hamiltonians

    Science.gov (United States)

    Gebrerufael, Eskendr; Calci, Angelo; Roth, Robert

    2016-03-01

    We discuss the approximate inclusion of three-nucleon (3 N ) interactions into ab initio nuclear structure calculations using a multireference formulation of normal ordering and Wick's theorem. Following the successful application of single-reference normal ordering for the study of ground states of closed-shell nuclei, e.g., in coupled-cluster theory, multireference normal ordering opens a path to open-shell nuclei and excited states. Based on different multideterminantal reference states we benchmark the truncation of the normal-ordered Hamiltonian at the two-body level in no-core shell-model calculations for p -shell nuclei, including 6Li,12C, and 10B. We find that this multireference normal-ordered two-body approximation is able to capture the effects of the 3 N interaction with sufficient accuracy, both for ground-state and excitation energies, at the computational cost of a two-body Hamiltonian. It is robust with respect to the choice of reference states and has a multitude of applications in ab initio nuclear structure calculations of open-shell nuclei and their excitations as well as in nuclear reaction studies.

  19. Open-Shell Nuclei and Excited States from Multi-Reference Normal-Ordered Hamiltonians

    CERN Document Server

    Gebrerufael, Eskendr; Roth, Robert

    2015-01-01

    We discuss the approximate inclusion of three-nucleon interactions into ab initio nuclear structure calculations using a multi-reference formulation of normal ordering and Wick's theorem. Following the successful application of single-reference normal ordering for the study of ground states of closed-shell nuclei, e.g., in coupled-cluster theory, multi-reference normal ordering opens a path to open-shell nuclei and excited states. Based on different multi-determinantal reference states we benchmark the truncation of the normal-ordered Hamiltonian at the two-body level in no-core shell-model calculations for p-shell nuclei, including 6-Li, 12-C, and 10-B. We find that this multi-reference normal-ordered two-body approximation is able to capture the effects of the 3N interaction with sufficient accuracy, both, for ground-state and excitation energies, at the computational cost of a two-body Hamiltonian. It is robust with respect to the choice of reference states and has a multitude of applications in ab initio ...

  20. JBOOM: Java Based Object Oriented Model of Software Configuration Management

    Directory of Open Access Journals (Sweden)

    Bhavya Mehta

    2006-01-01

    Full Text Available Most of the present Software Configuration Management systems deal with version and configurations in the form of files and directories, the need today is to have a Software Configuration Management system that handles versions and configurations directly in terms of functions (program module. A major objective of this research is the use of Java in the Software Configuration Management systems. An object-oriented language provides both design and implementation in an integrated manner. We have proposed a model that expresses change evolution in terms of class hierarchies. As the changes evolve so does the class hierarchy, it can be further extended and existing classes can be extended.

  1. A state-specific partially internally contracted multireference coupled cluster approach.

    Science.gov (United States)

    Datta, Dipayan; Kong, Liguo; Nooijen, Marcel

    2011-06-01

    A state-specific partially internally contracted multireference coupled cluster approach is presented for general complete active spaces with arbitrary number of active electrons. The dominant dynamical correlation is included via an exponential parametrization of internally contracted cluster operators ( ̂T) which excite electrons from a multideterminantal reference function. The remaining dynamical correlation and relaxation effects are included via a diagonalization of the transformed Hamiltonian ̅Ĥ =e(- ̂T)Ĥe( ̂T) in the multireference configuration interaction singles space in an uncontracted fashion. A new set of residual equations for determining the internally contracted cluster amplitudes is proposed. The second quantized matrix elements of ̅Ĥ , expressed using the extended normal ordering of Kutzelnigg and Mukherjee, are used as the residual equations without projection onto the excited configurations. These residual equations, referred to as the many-body residuals, do not have any near-singularity and thus, should allow one to solve all the amplitudes without discarding any. There are some relatively minor remaining convergence issues that may arise from an attempt to solve all the amplitudes and an initial analysis is provided in this paper. Applications to the bond-stretching potential energy surfaces for N(2), CO, and the low-lying electronic states of C(2) indicate clear improvements of the results using the many-body residuals over the conventional projected residual equations. PMID:21663353

  2. A state-specific partially internally contracted multireference coupled cluster approach

    Science.gov (United States)

    Datta, Dipayan; Kong, Liguo; Nooijen, Marcel

    2011-06-01

    A state-specific partially internally contracted multireference coupled cluster approach is presented for general complete active spaces with arbitrary number of active electrons. The dominant dynamical correlation is included via an exponential parametrization of internally contracted cluster operators (hat{T}) which excite electrons from a multideterminantal reference function. The remaining dynamical correlation and relaxation effects are included via a diagonalization of the transformed Hamiltonian {{hat{overline{H}}=e^{-hat{T}}hat{H}e^{hat{T}}}} in the multireference configuration interaction singles space in an uncontracted fashion. A new set of residual equations for determining the internally contracted cluster amplitudes is proposed. The second quantized matrix elements of {{hat{overline{H}}}}, expressed using the extended normal ordering of Kutzelnigg and Mukherjee, are used as the residual equations without projection onto the excited configurations. These residual equations, referred to as the many-body residuals, do not have any near-singularity and thus, should allow one to solve all the amplitudes without discarding any. There are some relatively minor remaining convergence issues that may arise from an attempt to solve all the amplitudes and an initial analysis is provided in this paper. Applications to the bond-stretching potential energy surfaces for N2, CO, and the low-lying electronic states of C2 indicate clear improvements of the results using the many-body residuals over the conventional projected residual equations.

  3. 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.

  4. Deep Space Habitat Configurations Based on International Space Station Systems

    Science.gov (United States)

    Smitherman, David; Russell, Tiffany; Baysinger, Mike; Capizzo, Pete; Fabisinski, Leo; Griffin, Brand; Hornsby, Linda; Maples, Dauphne; Miernik, Janie

    2012-01-01

    A Deep Space Habitat (DSH) is the crew habitation module designed for long duration missions. Although humans have lived in space for many years, there has never been a habitat beyond low-Earth-orbit. As part of the Advanced Exploration Systems (AES) Habitation Project, a study was conducted to develop weightless habitat configurations using systems based on International Space Station (ISS) designs. Two mission sizes are described for a 4-crew 60-day mission, and a 4-crew 500-day mission using standard Node, Lab, and Multi-Purpose Logistics Module (MPLM) sized elements, and ISS derived habitation systems. These durations were selected to explore the lower and upper bound for the exploration missions under consideration including a range of excursions within the Earth-Moon vicinity, near earth asteroids, and Mars orbit. Current methods for sizing the mass and volume for habitats are based on mathematical models that assume the construction of a new single volume habitat. In contrast to that approach, this study explored the use of ISS designs based on existing hardware where available and construction of new hardware based on ISS designs where appropriate. Findings included a very robust design that could be reused if the DSH were assembled and based at the ISS and a transportation system were provided for its return after each mission. Mass estimates were found to be higher than mathematical models due primarily to the use of multiple ISS modules instead of one new large module, but the maturity of the designs using flight qualified systems have potential for improved cost, schedule, and risk benefits.

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

    International Nuclear Information System (INIS)

    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.

  6. 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.

  7. 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...

  8. 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

    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...

  9. Configuration control based on risk matrix for radiotherapy treatment

    International Nuclear Information System (INIS)

    The incorporation of the science and technique breakthroughs in the application of the radiotherapy represents a challenge so that, the appearance of equipment failure or human mistakes that triggers unfavorable consequences for patients, public, or the occupationally exposed workers; it is also diversified forcing to incorporate besides, as part of the efforts, new techniques for the evaluation of risk and the detection of the weak points that can lead to these consequences. In order to evaluate the risks of the radiotherapy practices there is the SEVRRA code, based on the method of Risk Matrix. The system SEVRRA is the most frequently used code in the applications of risk studies in radiotherapy treatment. On the other hand, starting from the development of tools to control the dangerous configurations in nuclear power plants, it has been developed the SECURE code, which in its application variant of Risk Matrix, has gain a comfortable interface man-machine to make risk analyses to the radiotherapy treatment, molding in this way a lot of combinations of scenarios. These capacities outstandingly facilitate the studies and risk optimization applications in these practices. In the system SECURE-Risk Matrix are incorporated graphic and analytical capacities, which make more flexible the analyses and the subsequent documentation of all the results. The paper shows the the application of the proposed system to an integral risk study for the process of radiotherapy treatment with linear accelerator. (Author)

  10. Magneto Inertial Fusion Based on a Cusp Field Configuration

    OpenAIRE

    Ryzhkov, S. V.; Kostyukov, I. Yu.

    2009-01-01

    We study the cusp configuration of pre-seeded magnetic field for laser-driven flux-compression. The proposed configuration provides better particle confinement than that in Ref. [O.V. Gotchev et al., Journal of Fusion Energy 27 (2008) 25-31.] thereby leading to better magnetic insulation of hot fusion plasma. We develop the model that takes into account (i) magnetized target implosion, (ii) magnetic flux compression; (iii) particle losses from magnetic trap. The key parameter governing the pr...

  11. A cellular network model with Ginibre configured base stations

    OpenAIRE

    Miyoshi, Naoto; Shirai, Tomoyuki

    2014-01-01

    Stochastic geometry models for wireless communication networks have recently attracted much attention. This is because the performance of such networks critically depends on the spatial configuration of wireless nodes and the irregularity of the node configuration in a real network can be captured by a spatial point process. However, most analysis of such stochastic geometry models for wireless networks assumes, owing to its tractability, that the wireless nodes are deployed...

  12. 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.

  13. A Framework for Constraint-Programming based Configuration

    DEFF Research Database (Denmark)

    Queva, Matthieu Stéphane Benoit

    algorithm DnSTR is developed in order to solve the dynamic addition and retraction of table constraints at runtime. Finally, we present and evaluate a prototype implementation of ProCoLa and the configuration framework, including the integration in a development environment, tool support and interaction...

  14. 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.

  15. 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.

  16. 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...

  17. FPGA based, modular, configurable controller with fast synchronous optical network

    International Nuclear Information System (INIS)

    The paper describes a configurable controller equipped with programmable VLSI FPGA circuit, universal expansion modules PMC, synchronous, optical, multi-gigabit links, commonly used industrial and computer communication interfaces, Ethernet 100TB, system of automatic initialization ACE etc. There are characterized the basic functional characteristics of the device. The possibilities of its usage in various work modes were presented. Realization of particular blocks of the device were discussed. Resulting, during the realization of this project, new hardware layer solutions were also characterized. (orig.)

  18. Configuration System for a DSP/FPGA-Based Embedded Accelerator

    Czech Academy of Sciences Publication Activity Database

    Schier, Jan; Kovář, Bohumil; Zuzaňák, J.

    Žilina: Slovenská elektrotechnická spoločnosť, 2007 - (Jarina, R.), s. 1-4 ISBN 978-80-8070-786-6. [Digital Technologies 2007. Žilina (SK), 29.11.2007-30.11.2007] R&D Projects: GA AV ČR 1ET400750408 Institutional research plan: CEZ:AV0Z10750506 Keywords : video-processing * FPGA * accelerator * configuration * Simulink Subject RIV: JB - Sensors, Measurment, Regulation

  19. Configuration System for a DSP/FPGA-Based Embedded Accelerator

    Czech Academy of Sciences Publication Activity Database

    Schier, Jan; Kovář, Bohumil; Zemčík, P.; Herout, A.; Zuzaňák, J.

    Žilina: Slovenská elektrotechnická spoločnosť, 2007 - (Jarina, R.). s. 32-33 [Digital Technologies 2007. 30.11.2007, Žilina] R&D Projects: GA AV ČR 1ET400750408 Institutional research plan: CEZ:AV0Z10750506 Keywords : FPGA * video-processing * accelerator * configuration * Simulink Subject RIV: JB - Sensors, Measurment, Regulation

  20. Configuration space based recurrence relations for sunset-type diagrams

    International Nuclear Information System (INIS)

    We derive recurrence relations for the calculation of multiloop sunset-type diagrams with large powers of massive propagators. The technique is formulated in configuration space and exploits the explicit form of the massive propagator raised to a given power. We write down and evaluate a convenient set of basis integrals. The method is well suited for a numerical evaluation of this class of diagrams. We give explicit analytical formulae for the basis integrals in the asymptotic regime. (orig.)

  1. 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.

  2. 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.

    2016-05-01

    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.

  3. 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.

  4. Methodology for risk-based configuration control of nuclear power plant operation

    International Nuclear Information System (INIS)

    The hazardous configurations control in Nuclear Power Plants is an application of a previous Probabilistic Safety Analysis (PSA). A more complete option would be the risk monitoring for the online detection of these configurations but expert personnel would be required to deal with the complexities of PSA and risk monitor. The paper presents a simpler but effective approach: a method of configuration control, based on dependencies matrixes. The algorithm is included in a computer code called SECURE A-Z. The configuration control is carried out in a qualitative way, without previous PSA results and not using a Risk Monitor. The simplicity of the method warrants its application to facilities where these tools have not been developed, allowing the detection of hazardous configurations during operation and increasing plant safety. This configuration control system was implemented in the Embalse Nuclear Power Plant in Argentina. The paper shows the application of the algorithm to the analysis of a simplified safety system. (author)

  5. NEMO-Nordic : A NEMO based ocean modelling configuration for Baltic & North Seas

    Science.gov (United States)

    Hordoir, Robinson; Schimanke, Semjon; Axell, Lars; Gröger, Matthias; Dieterich, Christian; Liu, Ye; Höglund, Anders; Kuznetsov, Ivan; Ljungemyr, Patrik; Nygren, Petter; Jönsson, Anette; Meier, Markus

    2015-04-01

    Based on the NEMO ocean engine, three regional setups for the North Sea and Baltic Sea domain have been developed : the NEMO-Nordic configuration is declined in an operational setup, a stand-alone version used for climate and process studies, and a NEMO-Nordic-RCA4 atmosphere/ocean coupled configuration used for downscalling climate scenarios. We give a brief overview of the options chosen within the NEMO engine to design the configurations. Based on the results provided by each of the three configurations, we also provide an assessment of the strengths and weaknesses of NEMO-Nordic. Finally, a validation of the configurations is provided based on an extensive comparison between in-situ measurements and model results for temperature, salinity, sea-ice extent, sea level and mean circulation.

  6. 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.

  7. 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.

  8. aspcud: A Linux Package Configuration Tool Based on Answer Set Programming

    Directory of Open Access Journals (Sweden)

    Martin Gebser

    2011-08-01

    Full Text Available We present the Linux package configuration tool aspcud based on Answer Set Programming. In particular, we detail aspcud's preprocessor turning a CUDF specification into a set of logical facts.

  9. 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.

  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. FPGA-Based Configurable Systolic Architecture for Window-Based Image Processing

    Directory of Open Access Journals (Sweden)

    Miguel Arias-Estrada

    2005-05-01

    Full Text Available Image processing requires more computational power and data throughput than most conventional processors can provide. Designing specific hardware can improve execution time and achieve better performance per unit of silicon area. A field-programmable-gate-array- (FPGA- based configurable systolic architecture specially tailored for real-time window-based image operations is presented in this paper. The architecture is based on a 2D systolic array of 7×7 configurable window processors. The architecture was implemented on an FPGA to execute algorithms with window sizes up to 7×7, but the design is scalable to cover larger window sizes if required. The architecture reaches a throughput of 3.16 GOPs at a 60 MHz clock frequency and a processing time of 8.35 milliseconds for 7×7 generic window-based operators on 512×512 gray-level images. The architecture compares favorably with other architectures in terms of performance and hardware utilization. Theoretical and experimental results are presented to demonstrate the architecture effectiveness.

  12. 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...

  13. INSTRUMENT CLUSTER CONFIGURATION USING GUI BASED ON VB.NET

    Directory of Open Access Journals (Sweden)

    ISABELLA RANI K, RAJALAKSHMI P, RANJANI JULIIET A, RAJESH KUMAR G, YUVARAJ K

    2013-06-01

    Full Text Available The purpose of the project is to design and develop a GUI (graphical user interface based Driver information system. Instrument clusters are the traditional readout meters available in the dashboard of cars and motorbikes. In regard of the conventional meters that are in existence, the analog meters have disadvantages in lack of storage capability and accuracy whereas digital meters have display problems in dim light areas. In order to overcome these disadvantages the instrument clusters can be controlled and made user friendly with the help of GUI. Graphical User Interface allows the drivers to interact with instrument clusters using images rather than text commands and command line arguments. The goal is to enhance the efficiency and ease of use for the underlying logical design. These actions are usually performed through direct manipulation of the graphical elements. This can be implemented in instrument clusters with the help of .NET software along with the assistance of MS access as back end tool.

  14. GPS baseline configuration design based on robustness analysis

    Science.gov (United States)

    Yetkin, M.; Berber, M.

    2012-11-01

    The robustness analysis results obtained from a Global Positioning System (GPS) network are dramatically influenced by the configurationof the observed baselines. The selection of optimal GPS baselines may allow for a cost effective survey campaign and a sufficiently robustnetwork. Furthermore, using the approach described in this paper, the required number of sessions, the baselines to be observed, and thesignificance levels for statistical testing and robustness analysis can be determined even before the GPS campaign starts. In this study, wepropose a robustness criterion for the optimal design of geodetic networks, and present a very simple and efficient algorithm based on thiscriterion for the selection of optimal GPS baselines. We also show the relationship between the number of sessions and the non-centralityparameter. Finally, a numerical example is given to verify the efficacy of the proposed approach.

  15. 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.

  16. Description of odd-mass nuclei by multi-reference energy density functional methods

    International Nuclear Information System (INIS)

    In this work, we are interested in the treatment of odd-mass atomic nuclei in energy density functional (EDF) models. More precisely, the goal of this thesis is to develop and to apply to odd-mass nuclei, the theoretical extensions of the EDF method that are: first, the projection technique, and secondly the configuration mixing by the generator coordinate method (GCM). These two extensions are part of the so-called multi-reference energy density functional (MR-EDF) formalism and allow one to take into account, within an EDF context, the 'beyond-mean-field' correlations between the nucleons forming the nucleus. Until now, the MR-EDF formalism has been applied, in its fully-fledged version, only to the calculation of even-even nuclei. In this thesis, we want to demonstrate the applicability of such a model also for the description of odd-mass nuclei. In the first part of this thesis, we describe the theoretical formalism of the EDF models, giving particular attention to the treatment of symmetries within our approach. In the second part of the manuscript, we apply our model to the nucleus 25Mg and investigate different aspects of the method (e.g. numerical accuracy, convergence of the configuration mixing, comparison to known experimental data). The results obtained in this work are encouraging and demonstrate the potential of our approach for theoretical nuclear structure calculations. (author)

  17. Disassemblability modeling technology of configurable product based on disassembly constraint relation weighted design structure matrix(DSM)

    Science.gov (United States)

    Qiu, Lemiao; Liu, Xiaojian; Zhang, Shuyou; Sun, Liangfeng

    2014-05-01

    The current research of configurable product disassemblability focuses on disassemblability evaluation and disassembly sequence planning. Little work has been done on quantitative analysis of configurable product disassemblability. The disassemblability modeling technology for configurable product based on disassembly constraint relation weighted design structure matrix (DSM) is proposed. Major factors affecting the disassemblability of configurable product are analyzed, and the disassembling degrees between components in configurable product are obtained by calculating disassembly entropies such as joint type, joint quantity, disassembly path, disassembly accessibility and material compatibility. The disassembly constraint relation weighted DSM of configurable product is constructed and configuration modules are formed by matrix decomposition and tearing operations. The disassembly constraint relation in configuration modules is strong coupling, and the disassembly constraint relation between modules is weak coupling, and the disassemblability configuration model is constructed based on configuration module. Finally, taking a hydraulic forging press as an example, the decomposed weak coupling components are used as configuration modules alone, components with a strong coupling are aggregated into configuration modules, and the disassembly sequence of components inside configuration modules is optimized by tearing operation. A disassemblability configuration model of the hydraulic forging press is constructed. By researching the disassemblability modeling technology of product configuration design based on disassembly constraint relation weighted DSM, the disassembly property in maintenance, recycling and reuse of configurable product are optimized.

  18. Multireference coupled cluster study of the oxyallyl diradical

    International Nuclear Information System (INIS)

    Graphical abstract: Adiabatic singlet-triplet gap of the oxyallyl diradical has been studied by multireference coupled cluster methods. The results demonstrate the necessity to account for connected triexcitations and to employ a size-extensive method. The best result obtained at the MkCCSD(Tu)/cc-pVQZ level is in an excellent agreement both with experiment and with recent spin-flip EOMCCSD(dT) calculations. Highlights: ► This paper reports a MRCC study of the adiabatic singlet-triplet gap of the oxyallyl diradical.B. ► To get correct results, connected triples and size-extensive MRCC method are needed. ► The best result obtained at the MkCCSD(Tu)/cc-pVQZ level is in an excellent agreement with experiment. - Adiabatic singlet–triplet gap of the oxyallyl diradical has been studied by multireference Brillouin–Wigner and Mukherjee’s coupled cluster methods (BWCC and MkCC). The results demonstrate the necessity to include connected triples excitations, as well as employing a size-extensive MRCC method. The best result, calculated at the MkCCSD(Tu)/cc-pVQZ level, is in an excellent agreement with both experiment and recent spin-flip EOMCCSD(dT) calculations.

  19. A new configuration of the Moxon-Rae detector based on Si detector

    International Nuclear Information System (INIS)

    A new Moxon-Rae detector configuration based on Si semiconductor detector was proposed in this paper. Three γ-ray sources, 137Cs, 60Co, and 24Na, were employed to make actual measurements using the new Moxon-Rae detector. The measured pulse height spectra and detection efficiencies were compared with the EGS4 simulated values. The results revealed that the proposed new configuration is indeed a successful method and specially a useful technique for higher energy γ-ray measurement

  20. 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.

  1. 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

  2. A rule-based systems approach to spacecraft communications configuration optimization

    Science.gov (United States)

    Rash, James L.; Wong, Yen F.; Cieplak, James J.

    1988-01-01

    An experimental rule-based system for optimizing user spacecraft communications configurations was developed at NASA to support mission planning for spacecraft that obtain telecommunications services through NASA's Tracking and Data Relay Satellite System. Designated Expert for Communications Configuration Optimization (ECCO), and implemented in the OPS5 production system language, the system has shown the validity of a rule-based systems approach to this optimization problem. The development of ECCO and the incremental optimizatin method on which it is based are discussed. A test case using hypothetical mission data is included to demonstrate the optimization concept.

  3. 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

    2015-06-01

    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

  4. Application of REVEAL-W to risk-based configuration control

    International Nuclear Information System (INIS)

    Over the past two years, the concept of risk-based configuration control has been introduced to the US Nuclear Regulatory Commission and the nuclear industry. Converting much of the current, deterministically based regulation of nuclear power plants to risk-based regulation can result in lower levels of risk while relieving unnecessary burdens on power plant operators and regulatory staff. To achieve the potential benefits of risk-based configuration control, the risk models developed for nuclear power plants should be (1) flexible enough to effectively support necessary risk calculations, and (2) transparent enough to encourage their use by all parties. To address these needs, SCIENTECH, Inc., has developed the PC-based REVEAL W (formerly known as SMART). This graphic-oriented and user-friendly application software allows the user to develop transparent complex logic models based on the concept of the master plant logic diagram. The logic model is success-oriented and compact. The analytical capability built into REVEAL W is generic, so the software can support different types of risk-based evaluations, such as probabilistic safety assessment, accident sequence precursor analysis, design evaluation and configuration management. In this paper, we focus on the application of REVEAL W to support risk-based configuration control of nuclear power plants. (author)

  5. PSA requirements for use in the safety management. Risk based indicators and the configurational control

    International Nuclear Information System (INIS)

    The purpose of this document is to show the role of the risk based indicators- namely the core damage frequency (CDFI), the core damage probability indicators (CDPI) and the importance of the equipment together- in the risk based configuration control. 1 fig

  6. Augmentation of Explicit Spatial Configurations by Knowledge-Based Inference on Geometric Fields

    Directory of Open Access Journals (Sweden)

    Dan Tappan

    2009-04-01

    Full Text Available A spatial configuration of a rudimentary, static, realworld scene with known objects (animals and properties (positions and orientations contains a wealth of syntactic and semantic spatial information that can contribute to a computational understanding far beyond what its quantitative details alone convey. This work presents an approach that (1 quantitatively represents what a configuration explicitly states, (2 integrates this information with implicit, commonsense background knowledge of its objects and properties, (3 infers additional, contextually appropriate, commonsense spatial information from and about their interrelationships, and (4 augments the original representation with this combined information. A semantic network represents explicit, quantitative information in a configuration. An inheritance-based knowledge base of relevant concepts supplies implicit, qualitative background knowledge to support semantic interpretation. Together, these structures provide a simple, nondeductive, constraint-based, geometric logical formalism to infer substantial implicit knowledge for intrinsic and deictic frames of spatial reference.

  7. 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.

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

    International Nuclear Information System (INIS)

    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

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

    OpenAIRE

    Zheng Xiao; Zude Zhou; Buyun Sheng

    2016-01-01

    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 inform...

  10. 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.

  11. 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

    -range density-functional (DFT) description, is then considered. The resulting time-dependent multi-configuration short-range DFT (TD-MC-srDFT) model is applied to the calculation of singlet excitation energies in H, Be, and ferrocene, considering both short-range local density (srLDA) and generalized gradient......-parameter Becke-Lee-Yang-Parr functional (TD-DFT/CAM-B3LYP), and superior to wave-function (TD-MCSCF, symmetry adapted cluster-configuration interaction) and TD-DFT results based on LDA, GGA, and hybrid functionals. © 2013 American Institute of Physics....

  12. A knowledge-based system for optimization of fuel reload configurations

    International Nuclear Information System (INIS)

    The authors discuss a knowledge-based production system developed for generating optimal fuel reload configurations. The system was based on a heuristic search method and implemented in Common Lisp programming language. The knowledge base embodied the reactor physics, reactor operations, and a general approach to fuel management strategy. The data base included a description of the physical system involved, i.e., the core geometry and fuel storage. The fifth cycle of the Three Mile Island Unit 1 pressurized water reactor was chosen as a test case. Application of the system to the test case revealed a self-learning process by which a relatively large number of near-optimal configurations were discovered. Several selected solutions were subjected to detailed analysis and demonstrated excellent performance. To summarize, applicability of the proposed heuristic search method in the domain of nuclear fuel management was proved unequivocally

  13. Ontology-based information extraction from the configuration command line of network routers

    OpenAIRE

    Martínez Manzanilla, Anny Gabriela; Yannuzzi, Marcelo; Serral Gracià, René; Ramirez Almonte, Wilson

    2014-01-01

    Knowledge extraction is increasingly attracting the attention of researchers from different disciplines, as a means to automate complex tasks that rely on bulk textual resources. However, the configuration of many devices in the networking field continues to be a labor intensive task, based on the human interpretation and manual entry of commands through a text-based user interface. Typically, these Command-Line Interfaces (CLIs) are both device and vendor-specific, and thus, commands differ ...

  14. 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.

  15. A computer tool for systems configuration management based on PSA models and techniques

    International Nuclear Information System (INIS)

    In the frame of the IAEA coordinated research programme for expert systems development, in the Institute for Nuclear Research, a PSA based computer tool for systems configuration management is in progress. The system is designed to be integrated in the future ''living PSA'' system under development now. The design of the system is mainly based on the PSA model for Cernavoda NPP and the risk-based configuration management methods, taking into account the user requirements. The system will be developed taking into account the expert systems techniques, specific PSA methods (MCS and path-sets generation, etc.) and friendly user interface features. The work done up to now for the system mainly consist of the users requirements identification, development techniques choosing and top-level system design. (author). 4 refs, 1 fig

  16. Torsion/cantilever-based MEMS bistable mechanisms with different support configurations: structure design and comparison

    International Nuclear Information System (INIS)

    Three types of torsion/cantilever-based MEMS bistable mechanisms (BMs) with different support configurations have been constructed, modeled and experimented. For the support configuration, there is a crisscross-shaped, a ring-shaped and a diamond-shaped support beam, respectively. The proposed MEMS BMs consist of a free–free torsion-based cantilever which forms a symmetrical rocker lever. The free–free cantilever is suspended by a support skeleton which in turn is attached to a torsion cantilever. A permanent magnet is attached beside for holding the closed state with a permalloy soft magnetic circuit. The different special support configurations account for a low torsional compliance with the overhanging beams. In order to deduce the equivalent stiffness coefficient of BM systems, mechanical modeling of three types of torsion/cantilever-based MEMS BMs was performed by the classical beam theorem. Meanwhile, the magnetostatic latching force was also deduced by the Maxwell electromagnetism theory. The performances of these MEMS BMs have been compared by the evaluation of static deformation variations, equivalent stiffness coefficients and dynamical switching characterizations. Finally, mechanical performance was characterized by atomic force microscopy, combined with a Nanoindentation Tester. In addition, bistabilities of the MEMS BMs were proved by theoretical analysis as well as experimental results. Among these BMs, the ring-shaped MEMS BM is extremely prone to deflect due to relatively low stiffness compared with other types. The torsion/cantilever-based MEMS BMs have potential application in the field of latching relays with low power consumption.

  17. 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...

  18. 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...... 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....... 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...

  19. 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...

  20. Auxiliary control system for irradiation specimen automatic transmission based on configuration software

    International Nuclear Information System (INIS)

    Auxiliary control system realizes sequential control and trace display and automatic transmission for irradiated specimen, which bases on configuration software (MCGS) and industrial control computer as the control platform. The system uses digital I/O cards to establish system state detection and output control arrays. It is showed that the structure posses stable, reliable and security characteristics and well meets the needs of specimen transmission and controlling in industrial automation. (authors)

  1. Configuration space control of a parallel delta robot with a neural network based inverse kinematics

    OpenAIRE

    Uzunovic, Tarik; Golubovic, Edin; Baran, Eray Abdurrahman; Şabanoviç, Asif; SABANOVIC, Asif

    2013-01-01

    This paper describes configuration space control of a Delta robot with a neural network based kinematics. Mathematical model of the kinematics for parallel Delta robot used for manipulation purposes in microfactory was validated, and experiments showed that this model is not describing “real” kinematics properly. Therefore a new solution for kinematics mapping had to be investigated. Solution was found in neural network utilization, and it was used to model robot's inverse kinematics. It show...

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

    OpenAIRE

    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 w...

  3. Mathematical modeling and experimental testing of three bioreactor configurations based on windkessel models

    OpenAIRE

    Genevieve Lachance; Jean Ruel

    2010-01-01

    This paper presents an experimental study of three bioreactor configurations. The bioreactor is intended to be used for the development of tissue-engineered heart valve substitutes. Therefore it must be able to reproduce physiological flow and pressure waveforms accurately. A detailed analysis of three bioreactor arrangements is presented using mathematical models based on the windkessel (WK) approach. First, a review of the many applications of this approach in medical studies enhances its f...

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

    CERN Document Server

    Hannon, Kevin P; Evangelista, Francesco A

    2016-01-01

    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 M{\\o}ller$-$Plesset perturbation theory. Our new DSRG-MRPT2 implementation is benchmarked on ten naphthyne isomers using basis sets up to quintuple-$\\zeta$ quality. We find that the singlet-triplet splittings ($\\Delta_\\text{ST}$) of the naphthyne isomers strongly depend on the equilibrium structures. For a consistent set of geometries, the $\\Delta_\\text{ST}$ 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. 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.

  6. Basis set limit electronic excitation energies, ionization potentials, and electron affinities for the 3d transition metal atoms: Coupled cluster and multireference methods

    Science.gov (United States)

    Balabanov, Nikolai B.; Peterson, Kirk A.

    2006-08-01

    Recently developed correlation consistent basis sets for the first row transition metal elements Sc-Zn have been utilized to determine complete basis set (CBS) scalar relativistic electron affinities, ionization potentials, and 4s23dn -2-4s1dn -1 electronic excitation energies with single reference coupled cluster methods [CCSD(T), CCSDT, and CCSDTQ] and multireference configuration interaction with three reference spaces: 3d4s, 3d4s4p, and 3d4s4p3d'. The theoretical values calculated with the highest order coupled cluster techniques at the CBS limit, including extrapolations to full configuration interaction, are well within 1kcal/mol of the corresponding experimental data. For the early transition metal elements (Sc-Mn) the internally contracted multireference averaged coupled pair functional method yielded excellent agreement with experiment; however, the atomic properties for the late transition metals (Mn-Zn) proved to be much more difficult to describe with this level of theory, even with the largest reference function of the present work.

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

    DEFF Research Database (Denmark)

    Scheepers, Rens; Nicolajsen, Hanne Westh

    2006-01-01

    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...... 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...

  8. Development and implementation of configurational forces based constitutive phase field models for shape memory alloys

    Science.gov (United States)

    Agboola, Babatunde Omogbolahan

    Continuum thermodynamic constitutive phase field models are developed to simulate the rate dependent, thermomechanical response and precipitate formation in shape memory alloys (SMAs). The two models are based on the application of the balance of configurational forces, a scalar order parameter (a phase field) and atomic concentration to extend standard continuum thermodynamics approach. Constitutive field equations that capture the kinetics of solid-solid martensitic phase transition in SMA and the diffusion mediated precipitate formation in an elastic solid are developed. The coupled set of thermodynamically consistent field equations results from balance of configuration forces, balance of linear momentum, balance of energy and balance of atomic species mass. The field equations capture the kinetics of phase transition, deformation and elastic wave, heat transfer and atomic diffusion respectively. The first model is thermomechanical and is used to simulate the macroscopic response of SMA such as pseudoelasticity; transformation induced pseudo-creep, stress relaxation as well as the effect of cooling rate on mechanical and thermally induced phase transformation of SMA. The second model couples diffusion with elasticity to simulate growth and coarsening of precipitate and experimentally observed concentration depletion near the precipitates Results of the simulations of the macroscopic SMA response are in very good agreement with experimental observation. Simulations suggest that rate dependent and complex thermomechanical response of SMA are due to the interaction of an inherent time scale ( as well as length scale) of phase transformation, introduced through the balance of configurational forces, with other time scales. This work contributes to improved SMA modeling, scientific understanding and design. In particular, for aerospace application under stringent requirement and severe environmental conditions. Contribution of fundamental use of balance of

  9. Analysis of Hybrid Configuration of Coal-Based Methanol-Power Polygeneration System

    Directory of Open Access Journals (Sweden)

    Xiaosong Zhang

    2010-09-01

    Full Text Available

    A novel hybrid configuration of a coal-based polygeneration system, which bears the configuration characteristics of both parallel and sequential polygeneration systems, is proposed and investigated. Due to its configuration characteristics, the new system performs flexible production distribution (power and methanol to coordinate the performance and capacity ratio of chemical to power and facilitate peak shaving of power generation. The performance of the new system is simulated by means of Aspen Plus. The new system has a wider range of product capacity than the sequential polygeneration system, with a range of energy saving rate of 2~14%. Compared with the two other polygeneration systems the new system has better performance at each capacity ratio. Especially at a capacity ratio of chemical production to power generation of 0.5, it is about 2% higher than sequential polygeneration system and 4.5% higher than the parallel polygeneration system. Exergy analysis is performed. Better chemical energy utilization of the syngas is obtained without component adjustment but with proper recycling of the unreacted gas.

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

    International Nuclear Information System (INIS)

    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

  11. Impact of well configuration on performance of steam-based gravity drainage processes

    Energy Technology Data Exchange (ETDEWEB)

    Tamer, M.; Gates, I.D. [Calgary Univ., AB (Canada)

    2009-07-01

    These viscous oil sands are essentially immobile at reservoir conditions. Most in-situ recovery processes are steam-based, such cyclic steam stimulation (CSS) or steam-assisted gravity drainage (SAGD) where steam is injected into a horizontal well placed above a horizontal producer. There are several SAGD projects currently in operation in the Athabasca area. However, there are several design issues that need to be understood to develop and improve the performance of SAGD. Some examples are well configurations and operating conditions such as steam trap control and injection pressure. This paper examined the impact of position and geometry of steam injectors on the performance of SAGD processes in a heterogeneous reservoir. Different injection well configurations including single horizontal, offset SAGD, and vertical/horizontal well combinations were evaluated using a detailed, three-dimensional, geostatistically-populated, large-scale thermal reservoir simulation model. The study showed that well configuration changes the evolution of the steam conformance zone and oil flow dynamics in the reservoir. Several vertical injectors have the potential to deliver steam more efficiently than a single horizontal injector. It was concluded that a larger steam chamber volume has a larger heat transfer area, and therefore more mobilized oil and a higher production rate. 21 refs., 5 tabs., 34 figs.

  12. 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...

  13. 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.

  14. 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.

  15. Testing the magnetotail configuration based on observations of low-altitude isotropic boundaries during quiet times

    Science.gov (United States)

    Ilie, R.; Ganushkina, N.; Toth, G.; Dubyagin, S.; Liemohn, M. W.

    2015-12-01

    We investigate the configuration of the geomagnetic field on the nightside magnetosphere during a quiet time interval based on National Oceanic and Atmospheric Administration Polar Orbiting Environment Satellites Medium Energy Proton and Electron Detector (NOAA/POES MEPED) measurements in combination with numerical simulations of the global terrestrial magnetosphere using the Space Weather Modeling Framework. Measurements from the NOAA/POES MEPED low-altitude data sets provide the locations of isotropic boundaries; those are used to extract information regarding the field structure in the source regions in the magnetosphere. In order to evaluate adiabaticity and mapping accuracy, which is mainly controlled by the ratio between the radius of curvature and the particle's Larmor radius, we tested the threshold condition for strong pitch angle scattering based on the MHD magnetic field solution. The magnetic field configuration is represented by the model with high accuracy, as suggested by the high correlation coefficients and very low normalized root-mean-square errors between the observed and the modeled magnetic field. The scattering criterion, based on the values of k=Rcρ ratio at the crossings of magnetic field lines, associated with isotropic boundaries, with the minimum B surface, predicts a critical value of kCR˜33. This means that, in the absence of other scattering mechanisms, the strong pitch angle scattering takes place whenever the Larmor radius is ˜33 times smaller than the radius of curvature of the magnetic field, as predicted by the Space Weather Modeling Framework.

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

    CERN Document Server

    De Cosa, Annapaola

    2010-01-01

    We present the user interface and the software architecture of the Configuration Editor that is used by CMS physicists to configure their physics analysis tasks. Analysis workflows typically involve execution of a sequence of algorithms, and these are implemented as software modules that are integrated within the CMS software framework (CMSSW). In particular, a set of common analysis tools is provided in the so-called CMS Physics Analysis Toolkit (PAT) and these need to be steered and configured during the execution of an analysis job. The Python scripting language is used to define the job configuration that drives the analysis workflow. Configuring analysis jobs can be quite a challenging task, particularly for newcomers, and therefore a graphical tool, called the Configuration Editor, has been developed to facilitate the creation and inspection of these configuration files. Typically, a user-defined analysis workflow can be produced starting from a standard configuration file, applying and configuring PAT ...

  17. Optimizing intermediate ecosystem services in agriculture using rules based on landscape composition and configuration indices

    DEFF Research Database (Denmark)

    Cong, Rong-Gang; Ekroos, Johan; Smith, Henrik G.;

    2016-01-01

    Abstract Important intermediate ecosystem services (ES) such as crop pollination and biological control of pests, which underpin the final ES agricultural yields, are mediated by mobile organisms that depend on availability of habitat and its arrangement in the landscape. It has been suggested that...... landscape-scale management (LSM) of habitat in a multi-farm setting results in higher provisioning of such ES compared to farm-scale management (FSM). However, to achieve the LSM solution, farmers' land-use decisions need to be coordinated. To this end, we develop rules based on novel landscape composition...... and configuration indices. We model farmers' interdependencies through ES in an agent-based model (ABM) and optimize land use at both the farm and landscape scales for comparison. Our analysis is based on a simple artificial landscape with homogeneous soil quality and uses crop pollination as an...

  18. A Practical Tablet-Based Hearing Aid Configuration as an Exemplar Project for Students of Instrumentation.

    Science.gov (United States)

    Simeoni, Ricardo

    2015-06-11

    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. PMID:26779329

  19. The optimal configuration of photovoltaic module arrays based on adaptive switching controls

    International Nuclear Information System (INIS)

    Highlights: • We propose a strategy for determining the optimal configuration of a PV array. • The proposed strategy was based on particle swarm optimization (PSO) method. • It can identify the optimal module array connection scheme in the event of shading. • It can also find the optimal connection of a PV array even in module malfunctions. - Abstract: This study proposes a strategy for determining the optimal configuration of photovoltaic (PV) module arrays in shading or malfunction conditions. This strategy was based on particle swarm optimization (PSO). If shading or malfunctions of the photovoltaic module array occur, the module array immediately undergoes adaptive reconfiguration to increase the power output of the PV power generation system. First, the maximal power generated at various irradiation levels and temperatures was recorded during normal array operation. Subsequently, the irradiation level and module temperature, regardless of operating conditions, were used to recall the maximal power previously recorded. This previous maximum was compared with the maximal power value obtained using the maximum power point tracker to assess whether the PV module array was experiencing shading or malfunctions. After determining that the array was experiencing shading or malfunctions, PSO was used to identify the optimal module array connection scheme in abnormal conditions, and connection switches were used to implement optimal array reconfiguration. Finally, experiments were conducted to assess the strategy for identifying the optimal reconfiguration of a PV module array in the event of shading or malfunctions

  20. 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.

  1. 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.

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

    International Nuclear Information System (INIS)

    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

  3. An MDE-based approach for solving configuration problems: An application to the Eclipse platform

    OpenAIRE

    Doux, Guillaume; Albert, Patrick; Barbier, Gabriel; Cabot, Jordi; Didonet Del Fabro, Marcos; Lee, Scott

    2011-01-01

    International audience Most of us have experienced configuration issues when installing new software applications. Finding the right configuration is often a challenging task since we need to deal with many dependencies between plug-ins, components, libraries, packages, etc; sometimes even regarding specific versions of the involved artefacts. Right now, most configuration engines are adhoc tools designed for specific configuration scenarios. This makes their reuse in different contexts ve...

  4. Computer aided system for generating fuel shuffling configurations based on knowledge engineering

    International Nuclear Information System (INIS)

    In a PWR core, approximately 1/3 of the burned fuels are replaced by fresh fuels after about a year's operation. Reload cores are designed so as to minimize the radial power peaking factor under design requirements and some administrative constraints. The conventional way of generating an appropriate fuel loading pattern is a method of trial error, which is laborious and requires much computer time. A computer aided system has therefore been developed to speed up and make more efficient the determination of fuel shuffling configurations in reload cores. The system consists of a rule-base system employing artificial intelligence techniques, a pin-wise diffusion code and a feedback program based on fuel assembly power distributions. It was successfully applied to cores with only burnable poison rods, with gadolinium-dispersed fuels and also to cores employing low leakage fuel management strategy. (author)

  5. Donor-Acceptor Heterojunction Configurations Based on DNA-Multichromophore Arrays.

    Science.gov (United States)

    Nakamura, Mitsunobu; Tsuto, Koji; Jomura, Ayumi; Takada, Tadao; Yamana, Kazushige

    2015-08-10

    Multichromophore arrays of bis(2-thienyl)diketopyrrolopyrrole (DPP) and naphthalenediimide (NDI) with two Zn(II) -cyclens were constructed using thymidine DNA as a scaffold through the binding of the Zn(II) -cyclens with thymine bases. We demonstrate photocurrent generation in a donor-acceptor heterojunction configuration consisting of the DPP (donor) and NDI (acceptor) arrays co-immobilized on an Au electrode. The co-immobilized electrode exhibited good photocurrent responses because of the efficient charge separation between the DPP and NDI arrays. In contrast, an immobilized electrode consisting of randomly assembled DPP-NDI arrays generated no photocurrent response because DPP formed ground-state charge-transfer complexes with NDI in the randomly assembled arrays. Therefore, our approach to generate donor-acceptor heterojunctions based on DNA-multichromophore arrays is a useful method to efficiently generate photocurrent. PMID:26179473

  6. Quadcopter Aggressive Maneuvers along Singular Configurations: An Energy-Quaternion Based Approach

    Directory of Open Access Journals (Sweden)

    Ayman A. El-Badawy

    2016-01-01

    Full Text Available Automatic aggressive maneuvers with quadcopters are regarded as a highly challenging control problem. The aim is to tackle the singularities that exist in a vertical looping maneuver. Modeling singularities are resolved by writing the equations-of-motion of the quadcopter in quaternion form. Physical singularities due to underactuation are resolved by using an energy-based control. Energy-based control is utilized to overcome the uncontrollability of the quadcopter at physical singular configurations, for instance, when commanding the quadcopter to gain altitude while pitched at 90∘. Three looping strategies (circular, clothoidal, and newly developed constant thrust are implemented on a nonlinear model of the quadcopter. The three looping strategies are discussed along with their advantages and limitations.

  7. A Model-based Approach to Reactive Self-Configuring Systems

    Science.gov (United States)

    Williams, Brian C.; Nayak, P. Pandurang

    1996-01-01

    This paper describes Livingstone, an implemented kernel for a self-reconfiguring autonomous system, that is reactive and uses component-based declarative models. The paper presents a formal characterization of the representation formalism used in Livingstone, and reports on our experience with the implementation in a variety of domains. Livingstone's representation formalism achieves broad coverage of hybrid software/hardware systems by coupling the concurrent transition system models underlying concurrent reactive languages with the discrete qualitative representations developed in model-based reasoning. We achieve a reactive system that performs significant deductions in the sense/response loop by drawing on our past experience at building fast prepositional conflict-based algorithms for model-based diagnosis, and by framing a model-based configuration manager as a prepositional, conflict-based feedback controller that generates focused, optimal responses. Livingstone automates all these tasks using a single model and a single core deductive engine, thus making significant progress towards achieving a central goal of model-based reasoning. Livingstone, together with the HSTS planning and scheduling engine and the RAPS executive, has been selected as the core autonomy architecture for Deep Space One, the first spacecraft for NASA's New Millennium program.

  8. 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

  9. 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.

  10. 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 ...

  11. 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...

  12. Optimized readout configuration for PIXE spectrometers based on Silicon Drift Detectors: Architecture and performance

    International Nuclear Information System (INIS)

    An optimized readout configuration based on a charge preamplifier with pulsed-reset has been designed for Silicon Drift Detectors (SDDs) to be used in Particle Induced X-ray Emission (PIXE) measurements. The customized readout electronics is able to manage the large pulses originated by the protons backscattered from the target material that would otherwise cause significant degradation of X-ray spectra and marked increase in dead time. In this way, the excellent performance of SDDs can be exploited in high-quality proton-induced spectroscopy of low- and medium-energy X-rays. This paper describes the designed readout architecture and the performance characterization carried out in a PIXE setup with MeV proton beams.

  13. Cyclotriveratrylene-BINOL-Based Host Compounds: Synthesis, Absolute Configuration Assignment, and Recognition Properties.

    Science.gov (United States)

    Lefevre, Sara; Héloin, Alexandre; Pitrat, Delphine; Mulatier, Jean-Christophe; Vanthuyne, Nicolas; Jean, Marion; Dutasta, Jean-Pierre; Guy, Laure; Martinez, Alexandre

    2016-04-15

    New host compounds combining a cyclotriveratrylene (CTV) unit and three binaphthol moieties have been synthesized enantiomerically and diastereomerically pure. The use of a chemical correlation allows for the assignment of their absolute configuration. The energy barrier of epimerization was measured, suggesting that no intramolecular hydrogen bonding occurs between the hydroxyl groups of the binaphthols. These open-shell host compounds were then tested in the recognition of carbohydrates; a preferential binding of mannose toward glucose was observed, and good diastereoselectivities were reached (up to 1:10). This recognition of sugar derivatives by open-shell CTV-based host compounds is unprecedented and opens up the way for a wider use of this easily accessible class of molecules as chiral sensors. PMID:27010215

  14. Recent advances in plasma devices based on plasma lens configuration for manipulating high-current heavy ion beams

    International Nuclear Information System (INIS)

    We describe new results of development of novel generation cylindrical plasma devices based on the electrostatic plasma lens configuration and concept of electrons magnetic insulation. The crossed electric and magnetic fields plasma lens configuration provides us with the attractive and suitable method for establishing a stable plasma discharge at low pressure. Using plasma lens configuration in this way some cost-effective plasma devices were developed for ion treatment and deposition of exotic coatings and the effective lens was first proposed for manipulating high-current beams of negatively charged particles. Here we describe operation and features of these plasma devices, and results of theoretical consideration of mechanisms determining their optimal operation conditions.

  15. The State-Universal Multi-Reference Coupled-Cluster Theory: An Overview of Some Recent Advances

    OpenAIRE

    Karol Kowalski; Piotr Piecuch

    2002-01-01

    Abstract: Some recent advances in the area of multi-reference coupled-cluster theory of the state-universal type are overviewed. An emphasis is placed on the following new developments: (i) the idea of combining the state-universal multi-reference coupled-cluster singles and doubles method (SUMRCCSD) with the multi-reference many-body perturbation theory (MRMBPT), in which cluster amplitudes of the SUMRCCSD formalism that carry only core and virtual orbital indices are replaced by their first...

  16. A multi-point laser Doppler vibrometer with fiber-based configuration

    International Nuclear Information System (INIS)

    Laser Doppler vibrometer (LDV) is a non-contact optical interferometric system to measure vibrations of structures and machines with a high precision. Normal LDV can only offer a single-point measurement. Scanning LDV is usually impractical to do measurement on transient events. In this paper, a fiber-based self-synchronized multi-point LDV is proposed. The multiple laser beams with different frequency shifts are generated from one laser source. The beams are projected onto a vibrating object, reflected and interfered with a common reference beam. The signal including vibration information of multiple spatial points is captured by one single-pixel photodetector. The optical system is mainly integrated by fiber components for flexibility in measurement. Two experiments are conducted to measure a steady-state simple harmonic vibration of a cantilever beam and a transient vibration of a beam clamped at both ends. In the first measurement, a numerical interpolation is applied to reconstruct the mode shape with increased number of data points. The vibration mode obtained is compared with that from FEM simulation. In transient vibration measurement, the first five resonant frequencies are obtained. The results show the new-reported fiber-based multipoint LDV can offer a vibration measurement on various spatial points simultaneously. With the flexibility of fiber configuration, it becomes more practical for dynamic structural evaluation in industrial areas

  17. Exergy analysis of a novel configuration of desiccant based evaporative air conditioning system

    International Nuclear Information System (INIS)

    Highlights: • A procedure is developed for exergy analyses of the system. • The exergy transports between the components are determined. • The exergy efficiency of the whole system is 40.7% at 15 °C reference temperature. - Abstract: In this work, a process is developed for exergy analyses of a novel configuration of desiccant based an evaporative air conditioning system. The exergy transfer and destruction between the components of the system are defined for the average measured variables obtained from the experimental results. The exergy formulations are carried out to the experimental system using the data collected during a typical operation of the system. The exergy output, specific flow exergy, exergy destruction, exergy input and exergy efficiency are determined. Furthermore, the sustainability assessment and relative irreversibility of components are obtained. It is found that the exergy efficiency of the entire experimental unit is 40.7% at a reference temperature of 15 °C. It is also observed that the exergy efficiencies of the entire system varies between 56% and 25% for reference temperature of 0–30 °C, respectively. The effects of reference temperature on the performance of the studied system are investigated. Based on the investigation, it is seen that an exergy analysis can provide beneficial knowledge with respect to the theoretical upper limit of the system performance

  18. A unix configuration engine

    International Nuclear Information System (INIS)

    A high level description language is presented for the purpose of automatically configuring large heterogeneous networked unix environments, based on class-oriented abstractions. The configuration engine is portable and easily extensible

  19. State-selective multi-reference coupled-cluster theory employing the single-reference formalism: Application to an excited state of H8

    International Nuclear Information System (INIS)

    The state-selective (SS) multi-reference (MR) coupled-cluster (CC) method exploiting the single-reference (SR) formalism [P. Piecuch, N. Oliphant, and L. Adamowicz, J. Chem. Phys. 99, 1875 (1993)] is applied to the first excited totally symmetric singlet state of a prototype molecular system composed of eight hydrogen atoms. Minimum basis set is employed and various geometries are considered. The SS CC energies are compared with the results of the state-universal (SU) MR CC calculations involving single and double excitations (CCSD) as well as with the exact energies obtained using the full configuration interaction method. Comparison is also made with the results of the standard SR CCSD calculations. In both nondegenerate and quasidegenerate regions, our SS CC theory truncated at double excitations [SS CCSD(TQ) method] provides much better description of the first excited state than the genuine multi-determinantal SU CCSD formalism

  20. 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.

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

    International Nuclear Information System (INIS)

    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 C2 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 C2v insertion pathway for BeH2. The variational excited state methodology developed in this work has two remarkable traits: it is fully black-box and will be applicable to fairly large systems thanks to its mean-field computational cost

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

    Energy Technology Data Exchange (ETDEWEB)

    Jiménez-Hoyos, Carlos A. [Department of Chemistry, Rice University, Houston, Texas 77005 (United States); Rodríguez-Guzmán, R.; Scuseria, Gustavo E. [Department of Chemistry, Rice University, Houston, Texas 77005 (United States); Department of Physics and Astronomy, Rice University, Houston, Texas 77005 (United States)

    2013-12-14

    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{sub 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{sub 2v} insertion pathway for BeH{sub 2}. The variational excited state methodology developed in this work has two remarkable traits: it is fully black-box and will be applicable to fairly large systems thanks to its mean-field computational cost.

  3. Possible configurations for an air independent propulsion (AIP) system for submarines based on fuel cells

    International Nuclear Information System (INIS)

    'Full text:' Conventional submarines employ an electric propulsion system, based on energy storage in batteries which are recharged using diesel motors connected to generator alternators. This limits their autonomy underwater given that it will be depend on the amount of energy that can be stored in the batteries; currently, a normal value is to have energy to navigate for three days at low speed. As of from the WWII, several shipyards began to carry out research on propulsion systems for submarines that would be capable of operating under anaerobic conditions, independent of the air (AIP Systems). Since then, several proposals have been considered, but there is one option that several navies are currently putting their trust in: fuel cells. The objective of this Project is to stress the different configurations that can be considered to this end, as regards the transportation of hydrogen and oxygen. From the hydrogen point of view, the possibilities of transporting it in metal hydrides or its on-board production through the reforming of different fuels (gas-oil, ethanol, methanol), are analyzed. This study also compares auxiliary systems (including CO2 removers), and proposes solutions, some of which are under development, indicating which are currently being considered to a greater extent. (author)

  4. Transonic pressure measurements and comparison of theory to experiment for an arrow-wing configuration. Volume 1: Experimental data report, base configuration and effects of wing twist and leading-edge configuration. [wind tunnel tests, aircraft models

    Science.gov (United States)

    Manro, M. E.; Manning, K. J. R.; Hallstaff, T. H.; Rogers, J. T.

    1975-01-01

    A wind tunnel test of an arrow-wing-body configuration consisting of flat and twisted wings, as well as a variety of leading- and trailing-edge control surface deflections, was conducted at Mach numbers from 0.4 to 1.1 to provide an experimental pressure data base for comparison with theoretical methods. Theory-to-experiment comparisons of detailed pressure distributions were made using current state-of-the-art attached and separated flow methods. The purpose of these comparisons was to delineate conditions under which these theories are valid for both flat and twisted wings and to explore the use of empirical methods to correct the theoretical methods where theory is deficient.

  5. 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.

  6. 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...

  7. Heat-bath Configuration Interaction: An efficient selected CI algorithm inspired by heat-bath sampling

    CERN Document Server

    Holmes, Adam; Umrigar, Cyrus

    2016-01-01

    We introduce a new selected configuration interaction plus perturbation theory algorithm that is based on a deterministic analog of our recent efficient heat-bath sampling algorithm. This Heat-bath Configuration Interaction (HCI) algorithm makes use of two parameters that control the tradeoff between speed and accuracy, one which controls the selection of determinants to add to a variational wavefunction, and one which controls the the selection of determinants used to compute the perturbative correction to the variational energy. We show that HCI provides an accurate treatment of both static and dynamic correlation by computing the potential energy curve of the multireference carbon dimer in the cc-pVDZ basis. We then demonstrate the speed and accuracy of HCI by recovering the full configuration interaction energy of both the carbon dimer in the cc-pVTZ basis and the strongly-correlated chromium dimer in the Ahlrichs VDZ basis, correlating all electrons, to an accuracy of better than 1 mHa, in just a few min...

  8. 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.

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

    International Nuclear Information System (INIS)

    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.

  10. On Scenario-based Model-driven Configuration Management for Flexible Networking Experimentation Infrastructures

    OpenAIRE

    Galán Márquez, Fermín

    2010-01-01

    The goal of the present dissertation is to improve the current state of the art in configuration management in networking experimentation infrastructures (testbeds). In particular, our goal is to solve the scenario technology-dependency problem, so the same scenarios can be reused in different testbeds. In order to achieve this goal, three objectives have to be addressed. First, to develop a model-driven configuration management architecture that decouples scenario specifications from the...

  11. Supply Chain Configuration with Coordinated Product, Process and Logistics Decisions: An Approach based on Petri Nets

    OpenAIRE

    Zhang, Linda; You, Xiao; Jiao, Jianxin Roger; Helo, Petri

    2009-01-01

    Abstract Supply chain configuration lends itself to be an effective means to deal with product differentiation and customization throughout a supply chain network. It essentially entails the instantiation of a generic supply chain network to specific supply chains in accordance with diverse customer requirements. The linchpin of supply chain configuration lies in the coordination of product, process and logistics decisions in relation to a variety of customer orders. This paper aim...

  12. A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states

    CERN Document Server

    Sharma, Sandeep

    2014-01-01

    We describe a formulation of multi-reference perturbation theory that obtains a rigorous upper bound to the second order energy by minimizing the Hylleraas functional in the space of matrix product states (MPS). The first order wavefunctions so obtained can also be used to compute the third order energy with little overhead. Our formulation has several advantages including (i) flexibility with respect to the choice of zeroth order Hamiltonian, (ii) recovery of the exact uncontracted multi-reference perturbation theory energies in the limit of large MPS bond dimension, (iii) no requirement to compute high body density matrices, (iv) an embarrassingly parallel algorithm (scaling up to the number of virtual orbitals, squared, processors). Preliminary numerical examples show that the MPS bond dimension required for accurate first order wavefunctions scales sub-linearly with the size of the basis.

  13. A flexible multi-reference perturbation theory by minimizing the Hylleraas functional with matrix product states

    OpenAIRE

    Sharma, Sandeep; Chan, Garnet Kin-Lic

    2014-01-01

    We describe a formulation of multi-reference perturbation theory that obtains a rigorous upper bound to the second order energy by minimizing the Hylleraas functional in the space of matrix product states (MPS). The first order wavefunctions so obtained can also be used to compute the third order energy with little overhead. Our formulation has several advantages including (i) flexibility with respect to the choice of zeroth order Hamiltonian, (ii) recovery of the exact uncontracted multi-ref...

  14. 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.

  15. Experimental comparison between different configurations of PCM based heat sinks for cooling electronic components

    International Nuclear Information System (INIS)

    The thermal control of electronic components is aimed at ensuring their use in a temperature range compatible with their performances. This paper presents an experimental study of the behavior of phase change materials (PCMs) as the cooling system for electronic devices. Four configurations are used to control the increase in the system temperature: pure PCM, PCM in a silicone matrix, PCM in a graphite matrix and pure PCM in a system of fins. Thermo-physical properties of different PCMs are determined and found to be desirable for application in this study. Solid liquid interface visualization and temperature evolution are employed to understand the mechanism of heat transfer during the different stages. Results indicated that the inclusion of PCM can lower component increase temperature and extends twice the critical time of the heat sink. The use of Graphite matrix filled by PCM showed more improvement on system thermal performance than silicon matrix. Also, for the same fraction of copper, it was found that incorporating long copper fins with suitable spacing into PCM, can enhance heat distribution into PCM leading to longer remain component temperature below the critical limit. This work therefore shows that the combination of PCM and long, well-spaced fins presents an effective means for thermal control of electronic devices. - Highlights: • Study on thermal performance of different PCM based heat sink in electronic cooling. • Examination of heat transfer mechanism into heat sink for different conditions. • Graphite matrix shows more efficiency than silicon. • Inclusion PCM can reduce temperature increasing. • Heat sink with longer well spaced fins can extend longer the critical time

  16. Dual fiber Bragg gratings configuration-based fiber acoustic sensor for low-frequency signal detection

    Science.gov (United States)

    Yang, Dong; Wang, Shun; Lu, Ping; Liu, Deming

    2014-11-01

    We propose and fabricate a new type fiber acoustic sensor based on dual fiber Bragg gratings (FBGs) configuration. The acoustic sensor head is constructed by putting the sensing cells enclosed in an aluminum cylinder space built by two Cband FBGs and a titanium diaphragm of 50 um thickness. One end of each FBG is longitudinally adhered to the diaphragm by UV glue. Both of the two FBGs are employed for reflecting light. The dual FBGs play roles not only as signal transmission system but also as sensing component, and they demodulate each other's optical signal mutually during the measurement. Both of the two FBGs are pre-strained and the output optical power experiences fluctuation in a linear relationship along with a variation of axial strain and surrounding acoustic interference. So a precise approach to measure the frequency and sound pressure of the acoustic disturbance is achieved. Experiments are performed and results show that a relatively flat frequency response in a range from 200 Hz to 1 kHz with the average signal-to-noise ratio (SNR) above 21 dB is obtained. The maximum sound pressure sensitivity of 11.35mV/Pa is achieved with the Rsquared value of 0.99131 when the sound pressure in the range of 87.7-106.6dB. It has potential applications in low frequency signal detection. Owing to its direct self-demodulation method, the sensing system reveals the advantages of easy to demodulate, good temperature stability and measurement reliability. Besides, performance of the proposed sensor could be improved by optimizing the parameters of the sensor, especially the diaphragm.

  17. Studies on different configurations of cobalt phthalocyanine based flexible organic field effect transistor

    Science.gov (United States)

    Kumar, A.; Jha, P.; Samanta, S.; Singh, A.; Debnath, A. K.; Aswal, D. K.; Gupta, S. K.

    2016-05-01

    Organic Field Effect Transistors (OFETs) are being investigated for a number of low-cost, large area applications; particularly those that are compatible with flexible plastic substrates. Development of low temperature processes can make way for OFETs to be integrated on flexible plastic substrates. Here we have made systematic studies on OFETs in different configurations wherein we have chosen Cobalt Phthalocyanine (CoPc) as active material. We have found the best mobility (1.86 × 10-5 cm2/V-s) in Bottom Gate Top Contact configuration. However, threshold voltage (-5V) and On off ratio (62)were found to be better in Top Gate Bottom Contact configuration The electromechanical properties of the Bottom Gate Top Contact transistors were studied by measuring the transfer characteristics of the devices in bend condition and thereby calculating mobility under different radii of bending. No significant change in the mobility of the device was observed under bent conditions.

  18. Multiconfiguration self-consistent field method based on superposition of singly excited configurations

    International Nuclear Information System (INIS)

    The LCAO approximation has been used in deriving the equations in the multiconfiguration self-consistent field method, in which the function is taken as the superposition of the ground configuration and a singly excited singlet one (the MCSCF CI method). In the energy functional, one can vary not only the configurational factors and the molecular orbitals (LCAO coefficients) but also parameters governing the basis functions in a nonlinear fashion. The formulation in density-matrix terms enables one to overlook the individual configurational factors and LCAO coefficients and to operate with entire matrices constructed from them. There is a discussion of possible ways of solving the equations iteratively and of the area of application

  19. Operational Dynamic Configuration Analysis

    Science.gov (United States)

    Lai, Chok Fung; Zelinski, Shannon

    2010-01-01

    Sectors may combine or split within areas of specialization in response to changing traffic patterns. This method of managing capacity and controller workload could be made more flexible by dynamically modifying sector boundaries. Much work has been done on methods for dynamically creating new sector boundaries [1-5]. Many assessments of dynamic configuration methods assume the current day baseline configuration remains fixed [6-7]. A challenging question is how to select a dynamic configuration baseline to assess potential benefits of proposed dynamic configuration concepts. Bloem used operational sector reconfigurations as a baseline [8]. The main difficulty is that operational reconfiguration data is noisy. Reconfigurations often occur frequently to accommodate staff training or breaks, or to complete a more complicated reconfiguration through a rapid sequence of simpler reconfigurations. Gupta quantified a few aspects of airspace boundary changes from this data [9]. Most of these metrics are unique to sector combining operations and not applicable to more flexible dynamic configuration concepts. To better understand what sort of reconfigurations are acceptable or beneficial, more configuration change metrics should be developed and their distribution in current practice should be computed. This paper proposes a method to select a simple sequence of configurations among operational configurations to serve as a dynamic configuration baseline for future dynamic configuration concept assessments. New configuration change metrics are applied to the operational data to establish current day thresholds for these metrics. These thresholds are then corroborated, refined, or dismissed based on airspace practitioner feedback. The dynamic configuration baseline selection method uses a k-means clustering algorithm to select the sequence of configurations and trigger times from a given day of operational sector combination data. The clustering algorithm selects a simplified

  20. 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.

  1. The Transition to a Configurator Based Design Process in an MTO+C+E Environment

    Science.gov (United States)

    Ahrens, Fred

    2009-01-01

    University student internships can be an important pre-professional experience for the student and be an immense benefit to an employer. Because of the findings of a 6-Sigma project to reduce engineering errors, a design configurator was to be rebuilt to include updated design information and expanded product coverage. Lacking available full time…

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

    OpenAIRE

    Clemente Fernández, Francisco Javier; Monzó Cabrera, Juan; Pedreño Molina, Juan Luis; Lozano Guerrero, Antonio José; Fayos Fernández, José; Díaz Morcillo, Alejandro Benedicto

    2012-01-01

    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 analy...

  3. Sensitivity of aerosol retrieval to geometrical configuration of ground-based sun/sky-radiometer observations

    Directory of Open Access Journals (Sweden)

    B. Torres

    2013-03-01

    Full Text Available A sensitivity study of the aerosol optical properties retrieval to the geometrical configuration of the ground-based sky radiometer observations is carried out through the inversion tests. Specifically, the study is focused on the principal plane and almucantar observation, since these geometries are employed in Aeronet (AErosol RObotic NETwork. The following effects has been analyzed with simulated data for both geometries: sensitivity of the retrieval to variability of the observed scattering angle range, uncertainties in the assumptions of the aerosol vertical distribution and surface reflectance, possible instrument pointing errors and the effects of the finite field of view. The synthetic observations of radiometer in the tests were calculated using a previous climatology data of retrieved aerosol over three Aeronet sites: Mongu (Zambia for biomass burning aerosol, Goddard Space Flight Center (Maryland-USA for urban aerosol and Solar Village (Saudi Arabia for desert dust aerosol. The results show that almucantar retrievals, in general, are more reliable than principal plane retrievals in presence of the analyzed error sources. This fact partially can be explained by to practical advantages of almucantar geometry: the symmetry between its left and right branches that helps to eliminate some observational uncertainties and the constant value of optical mass constant during the measurements that makes almucantar observations nearly independent on vertical variability of aerosol. Nevertheless, almucantar retrievals present instabilities at high sun observations due to the reduction of the scattering angle range coverage resulting in decrease of information content. The last part of the study is devoted to identification of possible differences between the aerosol retrieval results obtained from real Aeronet data using both geometries. In particular, we have compared Aeronet retrievals at three different key sites: Mongu (biomass burning

  4. 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

  5. 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.

  6. 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.

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

    CERN Document Server

    Fromager, Emmanuel; Jensen, Hans Jørgen Aa

    2012-01-01

    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-range density-functional (DFT) description, is then considered. The resulting time-dependent multi-configuration short-range DFT (TD-MC-srDFT) model is applied to the calculation of singlet excitation energies in H2, Be and ferrocene, considering both short-range local density (srLDA) and generalized gradient (srGGA) approximations. In contrast to regular TD-DFT, TD-MC-srDFT can describe double excitations. 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 [K. Pernal, J. Chem. Phys. 136, 184105 (2012)], the description of both the 1^1D doubly-excited state in Be and the 1^1\\Sigma^+_u state in the stretch...

  8. Effect of contact interface configuration on electronic transport in (C20)2-based molecular junctions

    International Nuclear Information System (INIS)

    Using first-principles calculations, we study the electronic transport properties in Au-(C20)2-Au molecular junctions with different contact interface configurations: point contact and bond contact. We observe that the transmission through the bond contact is considerably higher than that of point contact. Furthermore, the I–V characteristics are rather different. For the bond contact, we get a metallic behavior followed by a varistor-type behavior. While as for the point contact, the current increases very slowly in a nonlinear way and is one order of magnitude smaller than that of bond contact. We attribute these obvious differences to the distinct contact configurations. -- Highlights: ► The I–V properties of (C20)2 molecular devices are affected by contact configuration. ► As for the bond contact, metallic behavior in the low bias is observed. ► Varistor-type behavior and nonlinear I–V characteristic in the high bias are found. ► As for the point contact, the Landauer conductance greatly decreases. ► The current is one order of magnitude smaller than that of bond contact.

  9. 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

    2016-07-01

    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 S ˆ 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 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.

  10. 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.

  11. 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.

  12. Configuration of hydraulic effective porosity based on borehole investigation in fractured rock

    International Nuclear Information System (INIS)

    The groundwater flow velocity in void space of rock mass is one of the important parameters for evaluating mass transport in deep underground, especially on the safety assessment of high-level radioactive waste disposal. In general, the groundwater velocity in void space of rock mass is calculated by Darcy velocity divided by the effective porosity. For estimating the effective porosity, the groundwater flowing void space should be evaluated. This paper describes configuration of the hydraulic effective porosity of fractured rock, and the study of estimating the hydraulic effective porosity by using borehole investigation data drilled from the surface. (author)

  13. Nonlinear cascade-configuration multi-wave mixing scheme based on electromagnetically induced transparency

    Institute of Scientific and Technical Information of China (English)

    Li Jia-Hua; Yang Wen-Xing; Peng Ju-Cun

    2004-01-01

    A nonlinear optical cascade-configuration multi-wave mixing (CCMWM) scheme is presented and analysed for the generation of coherent light in a six-level atomic system in the context of electromagnetically induced transparency (EIT). A detailed semi-classical study of the propagation of the generated mixing and probe fields is demonstrated.We show by numerical simulations that EIT is capable of suppressing linear and nonlinear photon absorption. The analytical dependence of the generated mixing field on the probe field and the respective detuning is also predicted.Such a nonlinear optical process can be used for generating coherent short-wavelength radiation.

  14. Structural Model for Jet Engine Configuration Using Knowledge-Based Engineering

    OpenAIRE

    Tenllado Cunillera, Albert

    2009-01-01

    The overall goal is to develop a structural model that enables configuration of different jet engine concepts and used as input to the research project where dynamic and stress analysis will be performed. The specific goal is to: use the KBE-module of Siemens PLM NX5 called Knowledge Fusion to implement a simplified turbofan jet engine containing accordin to Figure 1. Although the focus is on the structural (i.e the parts that create the stiffness of the jet engine and mostly are static) part...

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

    OpenAIRE

    Radovan Stojanovic; Dejan Karadaglic

    2013-01-01

    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...

  16. Multi-output DC-DC converters based on diode-clamped converters configuration

    DEFF Research Database (Denmark)

    Nami, A.; Zare, F.; Ghosh, A.;

    2010-01-01

    This study presents a new DC DC multi-output boost (MOB) converter which can share its total output between different series of output voltages for low- and high-power applications. This configuration can be utilised instead of several single output power supplies. This is a compatible topology for...... a diode-clamed inverter in the grid connection systems, where boosting low rectified output-voltage and series DC link capacitors is required. To verify the proposed topology, steady-state and dynamic analyses of a MOB converter are examined. A simple control strategy has been proposed to...

  17. High Energy Terahertz Parametric Oscillator Based on Surface-Emitted Configuration

    Science.gov (United States)

    Xu, De-Gang; Zhang, Hao; Jiang, Hao; Wang, Yu-Ye; Liu, Chang-Ming; Yu, Hong; Li, Zhong-Yang; Shi, Wei; Yao, Jian-Quan

    2013-02-01

    We experimentally demonstrate a high power nanosecond pulsed terahertz (THz)-wave parametric oscillator (TPO) by using a wide pump beam. A surface emitted cavity configuration is employed to reduce the THz absorption in MgO:LiNbO3 crystal. The THz wave can be tuned from 1 THz to 3 THz. A maximum THz output energy of 438 nJ/pulse is achieved at 1.56 Hz using a 4.5-mm-diameter pump beam with a pulse energy of 226 mJ pump energy with the repetition of 10 Hz, corresponding to the energy conversion efficiency of 1.94 × 10-6.

  18. The State-Universal Multi-Reference Coupled-Cluster Theory: An Overview of Some Recent Advances

    Directory of Open Access Journals (Sweden)

    Karol Kowalski

    2002-06-01

    Full Text Available Abstract: Some recent advances in the area of multi-reference coupled-cluster theory of the state-universal type are overviewed. An emphasis is placed on the following new developments: (i the idea of combining the state-universal multi-reference coupled-cluster singles and doubles method (SUMRCCSD with the multi-reference many-body perturbation theory (MRMBPT, in which cluster amplitudes of the SUMRCCSD formalism that carry only core and virtual orbital indices are replaced by their first-order MRMBPT estimates; and (ii the idea of combining the recently proposed method of moments of coupled-cluster equations with the SUMRCC formalism. It is demonstrated that the new SUMRCCSD(1 method, obtained by approximating the SUMRCCSD cluster amplitudes carrying only core and virtual orbital indices by their first-order MRMBPT values, provides the results that are comparable to those obtained with the complete SUMRCCSD approach.

  19. 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.

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

    International Nuclear Information System (INIS)

    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

  1. 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. PMID:27498046

  2. Accurate multireference configuration interaction calculations of the 24 Λ-S states and 60 Ω states of the BO(+) cation.

    Science.gov (United States)

    Liu, Hui; Shi, Deheng; Sun, Jinfeng; Zhu, Zunlue

    2016-11-01

    The potential energy curves were calculated for the 24 Λ-S states correlating with the lowest four dissociation channels of the BO(+) cation. The potential energy curves were also computed for the 60 Ω states generated from the 24 Λ-S states. Calculations were made for internuclear separations from 0.08 to 1.05nm using the CASSCF method, which was followed by the icMRCI approach with the correlation-consistent basis sets. Core-valence correlation, scalar relativistic and basis extrapolation were accounted for. Of the 24 Λ-S states, only three states (2(5)Π, 1(5)Σ(-), and 2(5)Σ(-)) were found to be repulsive; only the 1(5)Δ state was found to be a very weakly-bound state; and the E(1)Π, 2(3)Π, and 1(5)Π states were found to be very strong bound. In addition, the B(1)Σ(+) and 3(1)Σ(+) states have double wells by the avoided crossing between the two states. The a(3)Π, 1(3)Σ(-), and 2(3)Σ(-) states are inverted with the spin-orbit coupling effect included. The spectroscopic parameters were determined and the vibrational properties of several Λ-S states were predicted. Comparison with available experimental data shows that the methodology employed is highly accurate for this system. PMID:27289351

  3. Application of complete space multireference many-body perturbation theory to N2: Dependence on reference space and H0

    Science.gov (United States)

    Finley, James P.; Freed, Karl F.

    1995-01-01

    We study the wide latitude available in choosing the reference space and the zeroth order Hamiltonian H0 for complete reference space multireference perturbation theory. This effective Hamiltonian Heff method employs a general one-body form of H0 which is varied by using different molecular orbitals and orbital energies. An energy gap is imposed between the zeroth order reference and secondary space states by forcing the valence orbitals to be degenerate. The forced valence orbital degeneracy removes the occurrence of detrimentally small perturbation energy denominators. Extensive computations are provided for the nitrogen molecule, where calculated ground state spectroscopic constants are compared with full configuration interaction computations and calculated vertical excitation energies are compared with multireference coupled cluster computations. It is demonstrated that the forced reference space degeneracy can lead to certain perturbation denominators becoming too small for practical convergence. This characteristic is illustrated by a simple two-orbital model which stresses the need for important zeroth order excitation energies (equivalent to the factors appearing in the perturbation energy denominators) to exceed those in an Epstein-Nesbet perturbation partitioning. This simple model illustrates the general behavior found in all the more extensive Heff computations. In many cases where zeroth order excitation energies are too small for satisfactory third order results, improvements are obtained by using an H0 which redefines the orbital energies in order to increase problematic zeroth order excitation energies. The necessary orbital energy shifts are identified by examining the first order wave functions from larger reference spaces and the zeroth order energies. Frequently, fractional occupancy Fock-type operators are employed to provide the requisite orbital energy shifts. Some of the reference spaces investigated deviate extremely from quasidegeneracy

  4. Cognitive distortions based on MDS configuration and sketch mapping: a case study in Beijing

    Science.gov (United States)

    Shen, Si; Xue, Lulu; Wu, Lun; Liu, Yu

    2007-06-01

    As an emerging field, cognitive map kept playing a significant role in geography these decades. To date, there are two dominant methods to externalize human's internal cognitive map, namely, multidimensional scaling (MDS) and skech mapping. However, among most recent researches on cognitive map, the differences between both methods are always ignored. The usage of one method over another is still under scrutiny. In order to shed light on the similarity or distinctions of MDS configuration and sketch mapping, we conducted an experiment on Beijing residents by requesting a sketch of the region within 3rd Ring and meanwhile extracting distance estimates between 8 landmarks. Employing the Bidimensional regression along with standard deviational ellipse, we studied the global and local distortions among two kinds of cognitive maps and quantitatively measure the overall and local cognitive maps distortions. Besides, we use Monte Carlo simulation method to calculate the radius of distortion for the Distortion Index (DI). It shows that the average cognitive distortion of habitants in Beijing is 2km to 3km, and the distortion takes 2nd-ring road as a border, displaying a southwest-northeast diagonal stretch and an east-west contracted tendency. The distortion in the two methods is remarkably both correlated with factors, such as travel frequency and years of residence. Comparing two methods, it turned out that sketch map was more consistent with real map, while the distortion orientations of sketch map resembled MDS configuration. Finally, we gave possible reasons with regard to above conclusions and advices for future usage of two methods.

  5. Internally contracted multireference coupled-cluster theory in a multistate framework

    Science.gov (United States)

    Aoto, Yuri Alexandre; Köhn, Andreas

    2016-02-01

    The internally contracted multireference coupled cluster (icMRCC) theory is reexamined in a multistate framework. The new derivation starts from the Bloch equations employing a wave operator similar to the one originally employed by Jeziorski and Monkhorst [Phys. Rev. A 24, 1668 (1981)], but allows for a multideterminantal model-space basis. The resulting working equations are a generalization of state-universal multireference coupled-cluster (SU-MRCC) theory. In the case of truncated cluster operators, energies and wave functions depend on the choice of the model-space basis. It is shown that the state-specific solutions of the original icMRCC theory exactly diagonalize the effective Hamiltonian of the multistate theory and thus decouple the multistate equations. While this in principle means that icMRCC is a multistate theory, we find that truncated icMRCC theory still shows minor artifacts close to avoided crossings, which can be removed by considering a true multistate ansatz. The results also shed new light on the orbital variance of the original SU-MRCC theory.

  6. 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].

  7. 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

  8. Balancing single- and multi-reference correlation in the chemiluminescent reaction of dioxetanone using the anti-Hermitian contracted Schroedinger equation

    International Nuclear Information System (INIS)

    Direct computation of energies and two-electron reduced density matrices (2-RDMs) from the anti-Hermitian contracted Schroedinger equation (ACSE) [D. A. Mazziotti, Phys. Rev. Lett. 97, 143002 (2006)], it is shown, recovers both single- and multi-reference electron correlation in the chemiluminescent reaction of dioxetanone especially in the vicinity of the conical intersection where strong correlation is important. Dioxetanone, the light-producing moiety of firefly luciferin, efficiently converts chemical energy into light by accessing its excited-state surface via a conical intersection. Our previous active-space 2-RDM study of dioxetanone [L. Greenman and D. A. Mazziotti, J. Chem. Phys. 133, 164110 (2010)] concluded that correlating 16 electrons in 13 (active) orbitals is required for realistic surfaces without correlating the remaining (inactive) orbitals. In this paper we pursue two complementary goals: (i) to correlate the inactive orbitals in 2-RDMs along dioxetanone's reaction coordinate and compare these results with those from multireference second-order perturbation theory (MRPT2) and (ii) to assess the size of the active space--the number of correlated electrons and orbitals--required by both MRPT2 and ACSE for accurate energies and surfaces. While MRPT2 recovers very different amounts of correlation with (4,4) and (16,13) active spaces, the ACSE obtains a similar amount of correlation energy with either active space. Nevertheless, subtle differences in excitation energies near the conical intersection suggest that the (16,13) active space is necessary to determine both energetic details and properties. Strong electron correlation is further assessed through several RDM-based metrics including (i) total and relative energies, (ii) the von Neumann entropy based on the 1-electron RDM, as well as the (iii) infinity and (iv) squared Frobenius norms based on the cumulant 2-RDM.

  9. 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

    ... HFET-based fuel economy values for vehicle configurations. 600.206-08 Section 600.206-08 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Fuel Economy Regulations for 1977 and Later Model Year...

  10. Investigation of ultraviolet response enhanced PV cell with silicon-based SINP configuration

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    In this study,we report on the realization of ultraviolet response enhancement in PV cells through the structure of ITO/SiO2/np-Silicon frame(named as SINP),which was fabricated by the state of the art processing.The fabrication process consists of thermal diffusion of phosphorus element into p-type texturized crystal Si wafer,thermal deposition of an ultra-thin silicon dioxide layer(15-20) at low temperature,and subsequent deposition of thick In2O3:SnO2(ITO) layer by RF sputtering.The structure,morphology,optical and electric properties of the ITO film were characterized by XRD,SEM,UV-VIS spectrophotometer and Hall effect measurement,respectively.The results showed that ITO film possesses high quality in terms of antireflection and electrode functions.The device parameters derived from current-voltage(I-V) relationship under different conditions,spectral response and responsivity of the ultraviolet photoelectric cell with SINP configuration were analyzed in detail.We found that the main feature of our PV cell is the enhanced ultraviolet response and optoelectronic conversion.The improved short-circuit current,open-circuit voltage,and filled factor indicate that the device is promising to be developed into an ultraviolet and blue enhanced photovoltaic device in the future.

  11. 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.

  12. 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. PMID:22455024

  13. 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

  14. CONFIGURATION GENERATOR MODEL

    International Nuclear Information System (INIS)

    ''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 keff regression analysis associated with the methodology. However, the use of a keff 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

  15. STRUTEX: A prototype knowledge-based system for initially configuring a structure to support point loads in two dimensions

    Science.gov (United States)

    Robers, James L.; Sobieszczanski-Sobieski, Jaroslaw

    1989-01-01

    Only recently have engineers begun making use of Artificial Intelligence (AI) tools in the area of conceptual design. To continue filling this void in the design process, a prototype knowledge-based system, called STRUTEX has been developed to initially configure a structure to support point loads in two dimensions. This prototype was developed for testing the application of AI tools to conceptual design as opposed to being a testbed for new methods for improving structural analysis and optimization. This system combines numerical and symbolic processing by the computer with interactive problem solving aided by the vision of the user. How the system is constructed to interact with the user is described. Of special interest is the information flow between the knowledge base and the data base under control of the algorithmic main program. Examples of computed and refined structures are presented during the explanation of the system.

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

    OpenAIRE

    C. H. Grohmann; C. Riccomini; M. A. C. Chamani

    2011-01-01

    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 ...

  17. The accuracy of molecular bond lengths computed by multireference electronic structure methods

    International Nuclear Information System (INIS)

    We compare experimental Re values with computed Re values for 20 molecules using three multireference electronic structure methods, MCSCF, MR-SDCI, and MR-AQCC. Three correlation-consistent orbital basis sets are used, along with complete basis set extrapolations, for all of the molecules. These data complement those computed previously with single-reference methods. Several trends are observed. The SCF Re values tend to be shorter than the experimental values, and the MCSCF values tend to be longer than the experimental values. We attribute these trends to the ionic contamination of the SCF wave function and to the corresponding systematic distortion of the potential energy curve. For the individual bonds, the MR-SDCI Re values tend to be shorter than the MR-AQCC values, which in turn tend to be shorter than the MCSCF values. Compared to the previous single-reference results, the MCSCF values are roughly comparable to the MP4 and CCSD methods, which are more accurate than might be expected due to the fact that these MCSCF wave functions include no extra-valence electron correlation effects. This suggests that static valence correlation effects, such as near-degeneracies and the ability to dissociate correctly to neutral fragments, play an important role in determining the shape of the potential energy surface, even near equilibrium structures. The MR-SDCI and MR-AQCC methods predict Re values with an accuracy comparable to, or better than, the best single-reference methods (MP4, CCSD, and CCSD(T)), despite the fact that triple and higher excitations into the extra-valence orbital space are included in the single-reference methods but are absent in the multireference wave functions. The computed Re values using the multireference methods tend to be smooth and monotonic with basis set improvement. The molecular structures are optimized using analytic energy gradients, and the timings for these calculations show the practical advantage of using variational wave

  18. Monitoring of high-power fiber laser welding based on principal component analysis of a molten pool configuration

    International Nuclear Information System (INIS)

    There exists plenty of welding quality information on a molten pool during high-power fiber laser welding. An approach for monitoring the high-power fiber laser welding status based on the principal component analysis (PCA) of a molten pool configuration is investigated. An infrared-sensitive high-speed camera was used to capture the molten pool images during laser butt-joint welding of Type 304 austenitic stainless steel plates with a high-power (10 kW) continuous wave fiber laser. In order to study the relationship between the molten pool configuration and the welding status, a new method based on PCA is proposed to analyze the welding stability by comparing the situation when the laser beam spot moves along, and when it deviates from the weld seam. Image processing techniques were applied to process the molten pool images and extract five characteristic parameters. Moreover, the PCA method was used to extract a composite indicator which is the linear combination of the five original characteristics to analyze the different status during welding. Experimental results showed that the extracted composite indicator had a close relationship with the actual welding results and it could be used to evaluate the status of the high-power fiber laser welding, providing a theoretical basis for the monitoring of laser welding quality. (paper)

  19. Sub-Wavelength Resonances in Metamaterial-Based Multi-Cylinder Configurations

    DEFF Research Database (Denmark)

    Arslanagic, Samel; Breinbjerg, Olav

    2011-01-01

    , structures consisting of 1, 2 and 4 sets of metamaterial-based concentric cylinders excited by an electric line current are analyzed numerically. It is demonstrated that these structures recover the resonances of the individual structures even when the cylinders are closely spaced and the new structure...

  20. Contextual Cueing in Multiconjunction Visual Search Is Dependent on Color- and Configuration-Based Intertrial Contingencies

    Science.gov (United States)

    Geyer, Thomas; Shi, Zhuanghua; Muller, Hermann J.

    2010-01-01

    Three experiments examined memory-based guidance of visual search using a modified version of the contextual-cueing paradigm (Jiang & Chun, 2001). The target, if present, was a conjunction of color and orientation, with target (and distractor) features randomly varying across trials (multiconjunction search). Under these conditions, reaction times…

  1. Mod $p$ truncated configuration spaces

    OpenAIRE

    Yamaguchi, Kohhei

    2004-01-01

    In this paper we study the homotopy types of mod $p$ truncated configuration spaces. In particular, we investigate a finite dimensional configuration space model for the based loop space of mod $p$ lens space as an application.

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

    International Nuclear Information System (INIS)

    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/GdOx bilayer system. Bipolar set and reset operations have been clearly observed in the Pt/GdOx system similarly in the vertical device based on GdOx. 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/GdOx device. The superior performance of the CoFeB/GdOx device implies the importance of the spin on the resistive switching

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

    Science.gov (United States)

    Kawakita, Masatoshi; Okabe, Kyota; Kimura, Takashi

    2016-01-01

    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/GdOx bilayer system. Bipolar set and reset operations have been clearly observed in the Pt/GdOx system similarly in the vertical device based on GdOx. 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/GdOx device. The superior performance of the CoFeB/GdOx device implies the importance of the spin on the resistive switching.

  4. 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.

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

    Science.gov (United States)

    Müller, Julian; Hartke, Bernd

    2016-08-01

    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. PMID:27415976

  6. 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.

  7. 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

  8. Flat lenses constructed by graded negative index-based photonic crystals with tuned configurations

    International Nuclear Information System (INIS)

    Flat lenses are designed by means of graded negative refractive index-based photonic crystals (PCs) constructed using air-holes tuned with different shapes. By gradually modifying the filling factor along the transverse direction, we obtain the graded negative index-based lenses for the purpose of focusing an incident plane wave. The finite-difference and time-domain (FDTD) algorithm is adopted for numerical calculation. Our calculation results indicate that these lenses can finely focus incident plane waves. Moreover, for the same size of air-holes, the focusing properties of the lens with rectangular air-holes are better than those with the other shaped air-holes. The graded negative index PCs lenses could possibly enable new applications in optoelectronic systems. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

  9. Bio-Economic Assessment of Different Sunflower Based Intercropping Systems at Different Geometric Configurations

    OpenAIRE

    Rashid Saleem; Umar Farooq, M.; Riaz Ahmed

    2003-01-01

    Studies to see the comparative productive efficiency and feasibility of different sunflower based intercropping systems were conducted at Agronomic Research area, University of Agriculture, Faisalabad. Intercropping systems included sunflower alone, sunflower + mash and sunflower + mung. Sunflower was sown in 90 cm apart single rows as well as 90 cm apart double row strips. The results of studies indicated that when sunflower grown alone gave the maximum yield of 2.89 t ha‾1 followed by 2.75 ...

  10. Predicting the planform configuration of the braided Toklat River, AK with a suite of rule-based models

    Science.gov (United States)

    Podolak, Charles J.

    2013-01-01

    An ensemble of rule-based models was constructed to assess possible future braided river planform configurations for the Toklat River in Denali National Park and Preserve, Alaska. This approach combined an analysis of large-scale influences on stability with several reduced-complexity models to produce the predictions at a practical level for managers concerned about the persistence of bank erosion while acknowledging the great uncertainty in any landscape prediction. First, a model of confluence angles reproduced observed angles of a major confluence, but showed limited susceptibility to a major rearrangement of the channel planform downstream. Second, a probabilistic map of channel locations was created with a two-parameter channel avulsion model. The predicted channel belt location was concentrated in the same area as the current channel belt. Finally, a suite of valley-scale channel and braid plain characteristics were extracted from a light detection and ranging (LiDAR)-derived surface. The characteristics demonstrated large-scale stabilizing topographic influences on channel planform. The combination of independent analyses increased confidence in the conclusion that the Toklat River braided planform is a dynamically stable system due to large and persistent valley-scale influences, and that a range of avulsive perturbations are likely to result in a relatively unchanged planform configuration in the short term.

  11. State specific multireference Møller–Plesset perturbation theory: A few applications to ground, excited and ionized states

    International Nuclear Information System (INIS)

    Graphical abstract: We have investigated various interesting and computationally challenging systems [H2O, H2O+, BeC, MgC, CO+, Be3, benzene, trimethylenemethanes and 1,2,3-tridehydrobenzene] in either their ground, or excited/ionized states via SS-MRMPPT method. Highlights: ►Spin-free SS-MRPT method is employed for ground or excited/ionized states. ► SS-MRPT is formally elegant and cost/accuracy ratio of the method is impressive. ► We have computed PES, optimized geometries and ionization/excitation energies. ► We found that it is effective when the states of interest acquire SR or MR characters. ► Our results can meaningfully be compared with other established theoretical estimates. - Abstract: We provide further tests and illustrations of the complete active space based state specific multireference Møller–Plesset perturbation theory (SS-MRMPPT) which opens the way for the treatment of dynamic correlations in situations containing significant static correlations also in an accurate, size- extensive and intruder free manner enjoying at the same time a very favorable computational cost. We have investigated various interesting and computationally challenging systems [H2O, H2O+, BeC, MgC, CO+, Be3, benzene, trimethylenemethane and 1,2,3-tridehydrobenzene] in either their ground, or excited/ionized states. It is found that SS-MRMPPT calculations provide very encouraging results which can be meaningfully compared with other state-of-the-art theoretical estimates. Present results convincingly indicate that the SS-MRMPPT method is not only successful in portraying situations that warrant MR description but also performs acceptably good in cases where a naive single-reference method is enough which reinforces the claim that the SS-MRMPPT is a very useful and flexible ab initio method.

  12. 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.

  13. Left-handed metamaterials based on a leaf-shaped configuration

    Science.gov (United States)

    Zhu, Weiren; Zhao, Xiaopeng; Gong, Boyi

    2011-05-01

    Based upon the bionics principle, we present the design of a metal-dielectric-metal sandwiched leaf-shaped metamaterial, and the numerical simulation and experiment have confirmed an obvious left-handed transmission peak by this structure. The retrieved effective permittivity, permeability, and refractive index are all negative around the frequency of the resonant peak, and the planar lens focusing experiment has further confirmed its left-handed features. The results in this paper can be used to explain the resonance mechanism of the left-handed metamaterials fabricated by means of the nano-self-assembly approach, and thus may greatly promote the development of optical metamaterials.

  14. CAD-Based Aerodynamic Design of Complex Configurations using a Cartesian Method

    Science.gov (United States)

    Nemec, Marian; Aftosmis, Michael J.; Pulliam, Thomas H.

    2003-01-01

    A modular framework for aerodynamic optimization of complex geometries is developed. By working directly with a parametric CAD system, complex-geometry models are modified nnd tessellated in an automatic fashion. The use of a component-based Cartesian method significantly reduces the demands on the CAD system, and also provides for robust and efficient flowfield analysis. The optimization is controlled using either a genetic or quasi-Newton algorithm. Parallel efficiency of the framework is maintained even when subject to limited CAD resources by dynamically re-allocating the processors of the flow solver. Overall, the resulting framework can explore designs incorporating large shape modifications and changes in topology.

  15. 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.

  16. 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.

  17. Space gripper configuration and its dimension synthesis based on genetic algorithm

    Institute of Scientific and Technical Information of China (English)

    Zhu Yingyuan; Shi Shicai; Xie Zongwu; Liu Hong

    2008-01-01

    The special fingers of the gripper on the space robot have been developed based on genetic algorithm for the space application.Therefore, the symmetrical wedgelike finger composed of the 4-link mechanism and the relevant track were designed.To decrease the weight and optimize the kinematics and grip force,the compositive fitness function for dynamics and kinematics was created.The calculation efficiency could be improved by novel methods which overcame the problem of too many constraints in the solution space,such as introducing the specialist' s experience and punishment function and simplifying the variables.The solutions show that the optimized finger could perform well and the methods were effectual.

  18. 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.

  19. Development of system based code (2). Application of reliability target for configuration of ISI requirement

    International Nuclear Information System (INIS)

    The concept of System Based Code (SBC) has been proposed to achieve compatibility in matters of reliability, safety, and cost of fast breeder reactors (FBRs). This code extends the present structural design standard to include the broad areas such as load setting, fabrication, inspection, and maintenance related to FBR design and operation. Therefore, a quantitative index that can correlate these different areas is required. One such index is the probability of failure. The determination of a target value is also one of the key points to implement the SBC concept. We have proposed a new method to determine reliability targets for structures and components in FBR plants from the viewpoint of safety. Analysis models based on probabilistic safety assessments are used in the method for determining reliability targets. In this study, the effectiveness of the probability of failure as an index and the reliability targets produced using the new method are investigated through a trial setting of an in-service inspection (ISI) requirement for a reactor vessel. The probability of failure due to fatigue-creep interaction is calculated using a Monte Carlo simulation. The reliability targets for failure related to the risks arising from internal initiating events are derived using the new method. The summation of the probability of failure and of the reliability targets up to the end of the in-service period enables us to compare them directly. The results show that the reactor vessel has sufficient reliability even without an ISI. Through this example, we demonstrate that the probability of failure is a promising index and that reliability targets derived using the new method are compatible with SBC. (author)

  20. Configurable-bandwidth imaging spectrometer based on an acousto-optic tunable filter

    Science.gov (United States)

    Vila-Francés, Joan; Calpe-Maravilla, Javier; Muñoz-Mari, Jordi; Gómez-Chova, Luis; Amorós-López, Julia; Ribes-Gómez, Emilio; Durán-Bosch, Vicente

    2006-07-01

    This article presents a new imaging spectrometer called autonomous tunable filtering system. The instrument acquires sequential images at different spectral wavelengths in the visible and near infrared range of the electromagnetic spectrum. The spectral selection is performed by an acousto-optic tunable filter (AOTF), which is driven by a custom radio-frequency (rf) generator based on a direct digital synthesizer (DDS). The DDS allows a high flexibility in terms of acquisition speed and bandwidth selection. The rf power is dynamically controlled to drive the AOTF with the optimum value for each wavelength. The images are formed through a carefully designed optical layout and acquired with a high performance digital camera. The application software controls the instrument and acquires the raw spectral images from the camera. This software optionally corrects the image for the AOTF nonidealities, such as diffraction efficiency variations, spatial nonuniformity, and chromatic aberration, and generates a single multiband image file. Moreover, the software can calculate the reflectance or transmittance of the acquired images. The instrument has been calibrated to give precise and repetitive measurements and has been validated against a high performance point spectrometer. As a case example, the instrument has been successfully used for the mapping of chlorophyll content of plant leaves from their multispectral reflectance images.

  1. Energy configuration optimization of submerged propeller in oxidation ditch based on CFD

    International Nuclear Information System (INIS)

    The submerged propeller is presented as an important dynamic source in oxidation ditch. In order to guarantee the activated sludge not deposit, it is necessary to own adequate drive power. Otherwise, it will cause many problems such as the awful mixed flow and the great consuming of energy. At present, carrying on the installation optimization of submerged propeller in oxidation ditch mostly depends on experience. So it is necessary to use modern design method to optimize the installation position and number of submerged propeller, and to research submerged propeller flow field characteristics. The submerged propeller internal flow is simulated by using CFD software FLUENT6.3. Based on Navier-Stokes equations and standard k − ε turbulence model, the flow was simulated by using a SIMPLE algorithm. The results indicate that the submerged propeller installation position change could avoid the condition of back mixing, which caused by the strong drive. Besides, the problem of sludge deposit and the low velocity in the bend which caused by the drive power attenuation could be solved. By adjusting the submerged propeller number, the least power density that the mixing drive needed could be determined and saving energy purpose could be achieved. The study can provide theoretical guidance for optimize the submerged propeller installation position and determine submerged propeller number.

  2. Risk-based decision on configuration of AAC DGs in multi-units site

    International Nuclear Information System (INIS)

    Since a domestic nuclear plant site different from overseas has 6 units in a site, it is necessary to consider deeply a mitigating measure to station blackout accident (SBO). Currently it is proposed the installation of additional diesel generator to ensure an alternative AC power source, but it has not been decided yet how many diesel generators should be installed in a multi-units site: one or two. In this paper, risk-based decision making method, which evaluates reliability, core damage frequency, and average of core damage frequencies of nuclear power plants, is introduced to draw up the suitable number of diesel generator. The results shows that installing two diesel generators increases 1.4% of average of core damage frequencies as compared with installing one diesel generator but for both cases 4.5% of reliability of the electrical system equally increases. In the light of risk - informed decisions in regulatory guide 1.174, there is no difference of safety between two alternatives. It is concluded that one additional diesel generator sufficiently guarantees safety against station black out of nuclear power plants in multi-units site

  3. Multireference Equation of Motion Coupled Cluster study of atomic excitation spectra of first-row transition metal atoms Cr, Mn, Fe and Co

    Czech Academy of Sciences Publication Activity Database

    Liu, Z.; Demel, Ondřej; Nooijen, M.

    2015-01-01

    Roč. 311, SI (2015), s. 54-63. ISSN 0022-2852 Institutional support: RVO:61388955 Keywords : multireference * coupled cluster * electronic excited states Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.482, year: 2014

  4. 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.

  5. Implementace procesu Configuration management

    OpenAIRE

    Šipka, Ladislav

    2010-01-01

    The aim of this Thesis is to describe the practical implementation of process management in terms of Configuration Management process and subsequent implementation support tool, configuration and management database, focusing on describing and identifying particular steps needed for the definition and implementation process and the subsequent selection and implementation support tools. As an initial base of this Thesis I have used the practical experience of projects focusing on the definitio...

  6. 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.

  7. 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.

  8. 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.

  9. 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).

  10. 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.

  11. The research of product configuration based on purchase preference of consumer%面向顾客购买偏好的产品配置研究

    Institute of Scientific and Technical Information of China (English)

    李泽蓉; 李春梅; 周兰花; 周丹; 曾富洪

    2012-01-01

    In order to increase market competiveness of enterprise products by blending Purchase Preference of Consumer ( PPC) in product configuration design. A configuration model of product based on PPC was established, which effectively integrated Configuration Units ( CU) and Configuration Rules ( CR) and Configuration Constraints ( CC) at the core with Generic Units (GU) ,the solution of analysis on PPC was presented based on conjoint analysis method, and an algorithm for solving consumer utility value of CU based on SPSS software was given. An algorithm system based on genetic algorithms was designed for configuration scheme solving with objective of maximize PPC satisfaction. Finally, a configurable computer case was presented to verify the effectiveness and feasibility of the presented approach.%为了将顾客购买偏好行为有机地融入产品配置设计中,从而提高企业产品的市场竞争力,建立面向顾客购买偏好的产晶配置模型,该模型将配置单元、配置规则及配置约束以类单元为核心进行有效集成;基于该模型给出联合分析法分析实现顾客购买偏好的策略,并给出基于SPSS软件的配置单元效用值求解算法,设计了以消费者偏好最大满足度为目标、基于遗传算法理念的算法体系,来完成配置方案优选.最后,以某公司的电脑配置设计为应用实例,验证了所述方法的可行性和有效性.

  12. Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds?

    Science.gov (United States)

    Pastore, Mariachiara; Helal, Wissam; Evangelisti, Stefano; Leininger, Thierry; Malrieu, Jean-Paul; Maynau, Daniel; Angeli, Celestino; Cimiraglia, Renzo

    2008-05-01

    In this paper, the problem of the calculation of the electronic structure of mixed-valence compounds is addressed in the frame of multireference perturbation theory (MRPT). Using a simple mixed-valence compound (the 5,5' (4H,4H')-spirobi[ciclopenta[c]pyrrole] 2,2',6,6' tetrahydro cation), and the n-electron valence state perturbation theory (NEVPT2) and CASPT2 approaches, it is shown that the ground state (GS) energy curve presents an unphysical "well" for nuclear coordinates close to the symmetric case, where a maximum is expected. For NEVPT, the correct shape of the energy curve is retrieved by applying the MPRT at the (computationally expensive) third order. This behavior is rationalized using a simple model (the ionized GS of two weakly interacting identical systems, each neutral system being described by two electrons in two orbitals), showing that the unphysical well is due to the canonical orbital energies which at the symmetric (delocalized) conformation lead to a sudden modification of the denominators in the perturbation expansion. In this model, the bias introduced in the second order correction to the energy is almost entirely removed going to the third order. With the results of the model in mind, one can predict that all MRPT methods in which the zero order Hamiltonian is based on canonical orbital energies are prone to present unreasonable energy profiles close to the symmetric situation. However, the model allows a strategy to be devised which can give a correct behavior even at the second order, by simply averaging the orbital energies of the two charge-localized electronic states. Such a strategy is adopted in a NEVPT2 scheme obtaining a good agreement with the third order results based on the canonical orbital energies. The answer to the question reported in the title (is this theoretical approach a reliable tool for a correct description of these systems?) is therefore positive, but care must be exercised, either in defining the orbital energies

  13. A Numerical Study of the Turbulent Flow Characteristics in the Inlet Transition Square Duct Based on Roof Configuration

    International Nuclear Information System (INIS)

    Configuration of the inlet transition square duct (hereinafter referred to as 'transition duct') for heat recovery steam generator (hereinafter referred to as 'HRSG') in combined cycle power plant is limited by the construction type of HRSG and plant site condition. The main purpose of the present study is to analyze the effect of a variation in turbulent flow pattern by roof slop angle change of transition duct for horizontal HRSG, which is influencing heat flux in heat transfer structure to the finned tube bank. In this study, a computational fluid dynamics(CFD) is applied to predict turbulent flow pattern and comparisons are made to 1/12th scale cold model test data for verification. Re-normalization group theory (RNG) based k-ε turbulent model, which improves the accuracy for rapidly strained flow and swirling flow in comparison with standard k-ε model, is used for the results cited in this study. To reduce the amount of computer resources required for modeling the finned tube bank, a porous media model is used

  14. Three-phase Complex Filters Based on a Leapfrog Configuration and Compensation for the Finite Gain Bandwidth of Operational Amplifiers

    Science.gov (United States)

    Sugita, Junichi; Shouno, Kazuhiro

    Recently, three-phase complex filters attract attention because the number of required elements of the three-phase complex filter is lower than that of the four-phase (balanced) complex filter. In this paper, three-phase complex filters based on a leapfrog configuration are realized. The method for removing the inverter is proposed. The resulting circuit can be realized by using 3n operational amplifiers for n-th order complex filter. It is shown that the sensitivity of the proposed circuit is lower than that of the conventional one. The deviation of the passband response from the ideal one is due to the finite gain bandwidth of operational amplifiers. By taking the finite gain bandwidth of operational amplifiers into account, it is shown that the passband response of the proposed circuit is improved. The validity of the proposed method is confirmed through both of computer simulation and experiment. The experimental circuit exhibits complex bandpass characteristics (18-22kHz) and an image rejection ratio of 60.91dB.

  15. 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.

  16. Regression-based approach for testing the association between multi-region haplotype configuration and complex trait

    Directory of Open Access Journals (Sweden)

    Zhao Hongbo

    2009-09-01

    Full Text Available Abstract Background It is quite common that the genetic architecture of complex traits involves many genes and their interactions. Therefore, dealing with multiple unlinked genomic regions simultaneously is desirable. Results In this paper we develop a regression-based approach to assess the interactions of haplotypes that belong to different unlinked regions, and we use score statistics to test the null hypothesis of non-genetic association. Additionally, multiple marker combinations at each unlinked region are considered. The multiple tests are settled via the minP approach. The P value of the "best" multi-region multi-marker configuration is corrected via Monte-Carlo simulations. Through simulation studies, we assess the performance of the proposed approach and demonstrate its validity and power in testing for haplotype interaction association. Conclusion Our simulations showed that, for binary trait without covariates, our proposed methods prove to be equal and even more powerful than htr and hapcc which are part of the FAMHAP program. Additionally, our model can be applied to a wider variety of traits and allow adjustment for other covariates. To test the validity, our methods are applied to analyze the association between four unlinked candidate genes and pig meat quality.

  17. 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,...

  18. 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.

  19. Hyperfine structures and Landé gJ-factors for n=2 states in beryllium-, boron-, carbon-, and nitrogen-like ions from relativistic configuration interaction calculations

    International Nuclear Information System (INIS)

    Energy levels, hyperfine interaction constants, and Landé gJ-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

  20. 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

  1. 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.

  2. 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.

  3. Polyradical Character of Triangular Non-Kekulé Structures, Zethrenes, p-Quinodimethane-Linked Bisphenalenyl, and the Clar Goblet in Comparison: An Extended Multireference Study.

    Science.gov (United States)

    Das, Anita; Müller, Thomas; Plasser, Felix; Lischka, Hans

    2016-03-10

    In this work, two different classes of polyaromatic hydrocarbon (PAH) systems have been investigated in order to characterize the amount of polyradical character and to localize the specific regions of chemical reactivity: (a) the non-Kekulé triangular structures phenalenyl, triangulene and a π-extended triangulene system with high-spin ground state and (b) PAHs based on zethrenes, p-quinodimethane-linked bisphenalenyl, and the Clar goblet containing varying polyradical character in their singlet ground state. The first class of structures already have open-shell character because of their high-spin ground state, which follows from the bonding pattern, whereas for the second class the open-shell character is generated either because of the competition between the closed-shell quinoid Kekulé and the open-shell singlet biradical resonance structures or the topology of the π-electron arrangement of the non-Kekulé form. High-level ab initio calculations based on multireference theory have been carried out to compute singlet-triplet splitting for the above-listed compounds and to provide insight into their chemical reactivity based on the polyradical character by means of unpaired densities. Unrestricted density functional theory and Hartree-Fock calculations have been performed for comparison also in order to obtain better insight into their applicability to these types of complicated radical systems. PMID:26859789

  4. 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.

  5. State-selective multireference coupled-cluster theory employing the single-reference formalism: Implementation and application to the H8 model system

    International Nuclear Information System (INIS)

    The new state-selective (SS) multireference (MR) coupled-cluster (CC) method exploiting the single-reference (SR) particle-hole formalism, which we have introduced in our recent paper [P. Piecuch, N. Oliphant, and L. Adamowicz, J. Chem. Phys. 99, 1875 (1993)], has been implemented and the results of the pilot calculations for the minimum basis-set (MBS) model composed of eight hydrogen atoms in various geometrical arrangements are presented. This model enables a continuous transition between degenerate and nondegenerate regimes. Comparison is made with the results of SR CC calculations involving double (CCD), single and double (CCSD), single, double, and triple (CCSDT), and single, double, triple, and quadruple (CCSDTQ) excitations. Our SS CC energies are also compared with the results of the Hilbert space, state-universal (SU) MR CC(S)D calculations, as well as with the MR configuration interaction (CI) results (with and without Davidson-type corrections) and the exact correlation energies obtained using the full CI (FCI) method. Along with the ground-state energies, we also analyze the resulting wave functions by examining some selected cluster components. This analysis enables us to assess the quality of the resulting wave functions. Our SS CC theory truncated at double excitations, which emerges through selection of the most essential clusters appearing in the full SR CCSDTQ formalism [SS CCSD (TQ) method] provides equally good results in nondegenerate and quasidegenerate regions. The difference between the ground-state energy obtained with the SS CCSD(TQ) approach and the FCI energy does not exceed 1.1 mhartree over all the geometries considered. This value compares favorably with the maximum difference of 2.8 mhartree between the SU CCSD energies and the FCI energies obtained for the same range of geometries

  6. 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.

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

    International Nuclear Information System (INIS)

    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. (paper)

  8. Conceptual design of a thermo-electrical energy storage system based on heat integration of thermodynamic cycles – Part B: Alternative system configurations

    International Nuclear Information System (INIS)

    Thermo-electrical energy storage (TEES) based on thermodynamic cycles is currently under investigation at ABB corporate research as an alternative solution to more consolidated but site-dependent electricity storage technologies such as pump-hydro or compressed air energy storage. During charge electricity is converted into thermal energy by means of a heat pump and during discharge a thermal engine converts thermal energy into electricity. The synthesis and the thermodynamic optimization of a TEES system based on hot water, ice storage and on transcritical CO2 cycles is discussed in two papers (part A and part B). A methodology for the conceptual design of a TEES system based on Pinch Analysis tools was introduced in part A together with the results of a thermodynamic optimization of a base case. The overall synthesis problem was solved by implementing in the optimization a heuristic procedure for the synthesis of the heat exchanger network and the storage tanks thus letting the optimal complete system structure and its design parameters to be found for given values of cycle parameters. In part A, basic topologies for the CO2 heat pump (HP) and thermal engine (TE) were considered, and no alternative cycle configurations were investigated through the optimization. A larger synthesis problem involving the change of cycle topologies is addressed in this second paper. Different system configurations were generated by modifying the base case configuration through an organized procedure and were optimized separately following the objective of maximum roundtrip efficiency only, as done for the base case in part A. The optimization results of the new configurations are discussed and compared with the base case scenario. A complete picture of the impact of design choices on the maximum system performances is obtained. -- Highlights: ► A thermo-electrical energy storage (TEES) system based on hot water, ice storage and transcritical CO2 cycles is investigated.

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

    International Nuclear Information System (INIS)

    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

  10. Method of moments for the continuous transition between the Brillouin-Wigner-type and Rayleigh-Schroumldinger-type multireference coupled cluster theories

    Czech Academy of Sciences Publication Activity Database

    Pittner, Jiří; Piecuch, P.

    2009-01-01

    Roč. 107, 8-12 (2009), s. 1209-1221. ISSN 0026-8976 R&D Projects: GA ČR GA203/07/0070; GA AV ČR 1ET400400413; GA AV ČR KSK4040110 Institutional research plan: CEZ:AV0Z40400503 Keywords : multireference coupled cluster theory * method of moments of coupled cluster equations * state-universal multireference coupled cluster approach Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.634, year: 2009

  11. HR contribution to a firm's success examined from a configurational perspective: An exploratory study based on the Spanish CRANET data

    OpenAIRE

    Dolan, Simon L.; Mach, Mercè; Sierra Olivera, Vicenta

    2005-01-01

    The objective in this study was to examine whether a firm's economic/financial success can be associated with the application of certain HRM policies, practices and strategies. In this empirical study, an extended rationale borrowed from a configurational conceptual model was used in order to examine the multiple linkages and architecture between certain HR policies and practices, HR Department characteristics as well as some organizational characteristics, and the overall economic/financial ...

  12. Effect of contact interface configuration on electronic transport in (C{sub 20}){sub 2}-based molecular junctions

    Energy Technology Data Exchange (ETDEWEB)

    Ji, Guomin; Li, Dongmei; Fang, Changfeng; Xu, Yuqing [School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (China); Zhai, Yaxin [Department of Physics and Astronomy, University of Utah, Salt Lake City, UT 84112-0830 (United States); Cui, Bin [School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (China); Liu, Desheng, E-mail: liuds@sdu.edu.cn [School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100 (China); Department of Physics, Jining University, Qufu 273155 (China)

    2012-01-16

    Using first-principles calculations, we study the electronic transport properties in Au-(C{sub 20}){sub 2}-Au molecular junctions with different contact interface configurations: point contact and bond contact. We observe that the transmission through the bond contact is considerably higher than that of point contact. Furthermore, the I–V characteristics are rather different. For the bond contact, we get a metallic behavior followed by a varistor-type behavior. While as for the point contact, the current increases very slowly in a nonlinear way and is one order of magnitude smaller than that of bond contact. We attribute these obvious differences to the distinct contact configurations. -- Highlights: ► The I–V properties of (C{sub 20}){sub 2} molecular devices are affected by contact configuration. ► As for the bond contact, metallic behavior in the low bias is observed. ► Varistor-type behavior and nonlinear I–V characteristic in the high bias are found. ► As for the point contact, the Landauer conductance greatly decreases. ► The current is one order of magnitude smaller than that of bond contact.

  13. Parallel Implementation of Multireference Coupled-Cluster Theories Based on the Reference-Level Parallelism

    Czech Academy of Sciences Publication Activity Database

    Brabec, Jiří; Pittner, Jiří; van Dam, H. J. J.; Apra, E.; Kowalski, K.

    2012-01-01

    Roč. 8, č. 2 (2012), s. 487-497. ISSN 1549-9618 R&D Projects: GA ČR GAP208/11/2222 Institutional research plan: CEZ:AV0Z40400503 Keywords : Blast forum standard * Hilbert-space * State-universal Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 5.389, year: 2012

  14. 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...

  15. Resource Configurations, Generic Strategies, and Firm Performance :: Exploring the Parallels Between Resource-Based and Competitive Strategy Theories in a New Industry

    OpenAIRE

    Furrer, Olivier; Sudharshan, D.; Thomas, Howard; Alexandre, Maria Tereza

    2014-01-01

    Purpose – This paper, anchored in the resource-based view of the firm, attempts to develop linkages between firm-level resources, Porter’s competitive strategy space and firm performance and explores them in the context of a new industry – the marketing technology industry. Design/methodology/approach – In the marketing technology industry the authors classify resource configurations (generalists, specialists, innovators) which group firms with distinctive competences on similar resource dime...

  16. Optimizing configuration parameters of a stationary digital breast tomosynthesis system based on carbon nanotube x-ray sources

    Science.gov (United States)

    Tucker, Andrew; Qian, Xin; Gidcumb, Emily; Spronk, Derrek; Sprenger, Frank; Kuo, Johnny; Ng, Susan; Lu, Jianping; Zhou, Otto

    2012-03-01

    The stationary Digital Breast Tomosynthesis System (s-DBT) has the advantage over the conventional DBT systems as there is no motion blurring in the projection images associated with the x-ray source motion. We have developed a prototype s-DBT system by retrofitting a Hologic Selenia Dimensions rotating gantry tomosynthesis system with a distributed carbon nanotube (CNT) x-ray source array. The linear array consists of 31 x-ray generating focal spots distributed over a 30 degree angle. Each x-ray beam can be electronically activated allowing the flexibility and easy implementation of novel tomosynthesis scanning with different scanning parameters and configurations. Here we report the initial results of investigation on the imaging quality of the s-DBT system and its dependence on the acquisition parameters including the number of projections views, the total angular span of the projection views, the dose distribution between different projections, and the total dose. A mammography phantom is used to visually assess image quality. The modulation transfer function (MTF) of a line wire phantom is used to evaluate the system spatial resolution. For s-DBT the in-plan system resolution, as measured by the MTF, does not change for different configurations. This is in contrast to rotating gantry DBT systems, where the MTF degrades for increased angular span due to increased focal spot blurring associated with the x-ray source motion. The overall image quality factor, a composite measure of the signal difference to noise ratio (SdNR) for mass detection and the z-axis artifact spread function for microcalcification detection, is best for the configuration with a large angular span, an intermediate number of projection views, and an even dose distribution. These results suggest possible directions for further improvement of s-DBT systems for high quality breast cancer imaging.

  17. 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.

  18. Stellarator - tokamak configurations

    International Nuclear Information System (INIS)

    The stellarator configuration and tokamak configuration with helical fields have been studied both from an equilibrium and stability point of view. The model was restricted to a surface current model with a sharp boundary between plasma and vacuum. A general derivation of equilibrium and stability based on the Energy Principle is given. Physically the unstable modes are identified as external global modes. Detailed numerical results in different parameter regimes are presented and discussed. Critical β-limits for equilibrium and stability are obtained and in particular it is shown that in certain parameter ranges there exist a high-β as well as a low-β-region of stability. 7 refs., 14 figs

  19. 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...

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

    International Nuclear Information System (INIS)

    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(H2O)6]2+ complex. The results show good agreement with the experimental data obtained in this work, whereas the sudden approximation demonstrates distinct deviations from experiments

  1. 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.

  2. 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.

  3. Implementation of the multireference Brillouin-Wigner and Mukherjee's coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism

    Czech Academy of Sciences Publication Activity Database

    Bhaskaran-Nair, Kiran; Brabec, Jiří; Apra, E.; van Dam, H. J. J.; Pittner, Jiří

    2012-01-01

    Roč. 137, č. 9 (2012), 094112. ISSN 0021-9606 R&D Projects: GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : multireference methods * molecular applications * Brillouin-Wogner Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.164, year: 2012

  4. 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.

  5. 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.

  6. Configuration interaction investigation including spin–orbit coupling effect for electronic states of IBr and its cation

    International Nuclear Information System (INIS)

    Iodine monobromide (IBr) and its cation (IBr+), which play an important role in the stratospheric ozone depletion, have received much attention. However, the electronic states of IBr/IBr+ have not been well understood. In this paper, the potential energy curves (PECs) of low-lying electronic states for IBr/IBr+ were computed with high-level multireference configuration interaction (MRCI) method. The spin–orbit coupling effect was taken into account via the state interaction method with the full Breit–Pauli Hamiltonian. For IBr, the PECs of 12 Λ–S states correlated with the lowest dissociation limit of IBr molecule and 23Ω states generated from those Λ–S states were calculated. The spectroscopic constants of the bound states were obtained, which are consistent with previous experimental results. The two avoided crossing points between (2)0+/(3)0+ and (3)0+/(4)0+ were interpreted by analysis of Λ–S compositions of Ω states at various bond lengths. Based on potential energy curves and transition dipole moments, the radiative lifetime of 13Π1 was evaluated. For IBr+, the PECs of 12 Λ–S states and 4 low-lying Ω states were calculated, from which the spectroscopic constants were evaluated. Finally, the ionization energies from the neutral ground state (X1Σ+) to different ionic states (X2Π3/2, X2Π1/2, A2Π3/2 and A2Π1/2) were obtained. -- Highlights: • The potential energy curves of IBr and IBr+ were calculated with configuration interaction method including spin–orbit coupling effect. • Spectroscopic parameters for bound states of IBr and IBr+ were computed. • The radiative lifetime of 13Π1 state of IBr was evaluated. • The ionization energies of IBr were given

  7. Resolution and Determination of the Absolute Configuration of a Twisted Bis-Lactam Analogue of Tröger's Base: A Comparative Spectroscopic and Computational Study.

    Science.gov (United States)

    Rúnarsson, Ögmundur Vidar; Benkhäuser, Christian; Christensen, Niels Johan; Ruiz, Josep Artacho; Ascic, Erhad; Harmata, Michael; Snieckus, Victor; Rissanen, Kari; Fristrup, Peter; Lützen, Arne; Wärnmark, Kenneth

    2015-08-21

    The first reported twisted bis-lactam, a racemic Tröger's base (TB) analogue (2), was resolved into its enantiomers on a chiral stationary phase HPLC column. The absolute configuration of (+)-2 was determined to be (R,R)-2 by comparing experimental and calculated vibrational circular dichroism (VCD) and electronic circular dichroism (ECD) spectra. The absolute configuration of (-)-2 was determined by comparing experimental and calculated electronic circular dichroism (ECD) spectra. The corresponding theoretical spectra were calculated using the lowest energy conformation of (R,R)-2 and (S,S)-2 at the B3LYP/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 P212121 using Cu-irradiation resulting in a very low Flack parameter of -0.06(3), despite the heaviest element being an oxygen atom, thus unambiguously confirming the results from the spectroscopic studies. We conclude that, for the Tröger's base (TB) analogue (2), we may rank the reliability of the individual methods for AC determination as AXRD ≫ VCD > ECD, while the synergy of all three methods provides very strong confidence in the assigned ACs of (+)-(R,R)-2 and (-)-(S,S)-2. PMID:26244379

  8. Typology of Product Configuration Systems

    DEFF Research Database (Denmark)

    Jensen, Klaes Ladeby; Edwards, Kasper; Haug, Anders

    2007-01-01

    Many organisations are moving from mass production to mass customization. Product configuration systems (PCS) are increasingly seen as an interesting option for firms who wish to pursue a strategy with a high degree of product variance while retaining a low cost of specifying the product. To become...... more specific in relation to how product configuration systems can support mass customization, it is necessary to understand how different product configuration systems can be classified, and how these differ. This paper presents a typology of product configuration systems based on the five kinds of...... knowledge needed for the configuration task. Lastly, we discuss the implementation and use-related issues that can be derived from the typology....

  9. Analysis of Qinshan Nuclear Power Base Emergency Mobile Power Configuration%秦山核电基地应急移动电源配置分析

    Institute of Scientific and Technical Information of China (English)

    王贵良

    2016-01-01

    应急移动电源是核电厂在全厂断电工况下,保证反应堆堆芯冷却的重要手段。本文对秦山核电基地应急移动电源的配置进行了论述和分析,其对国内其他核电厂的应急移动电源配置也具有一定的参考价值。%Emergency mobile power supply is an important means for the nuclear power plant to ensure the cooling of the reactor core while station blackout (SBO). This article analyzes the configuration of Qinshan Nuclear Power Base emergency mobile power, which has referential and practical value for other domestic nuclear power plant emergency mobile power supply configuration.

  10. Applying Monte Carlo configuration interaction to transition metal dimers: exploring the balance between static and dynamic correlation

    CERN Document Server

    Coe, J P; Paterson, M J

    2014-01-01

    We calculate potential curves for transition metal dimers using Monte Carlo configuration interaction (MCCI). These results, and their associated spectroscopic values, are compared with experimental and computational studies. The multireference nature of the MCCI wavefunction is quantified and we estimate the important orbitals. We initially consider the ground state of the chromium dimer. Next we calculate potential curves for Sc$_{2}$ where we contrast the lowest triplet and quintet states. We look at the molybdenum dimer where we compare non-relativistic results with the partial inclusion of relativistic effects via effective core potentials, and report results for scandium nickel.

  11. Software configuration management

    International Nuclear Information System (INIS)

    Software Configuration Management is directed towards identifying system configuration at specific points of its life cycle, so as to control changes to the configuration and to maintain the integrity and traceability of the configuration throughout its life. SCM functions and tasks are presented in the paper

  12. Conceptualizing Embedded Configuration

    DEFF Research Database (Denmark)

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

    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...

  13. 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.

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

    International Nuclear Information System (INIS)

    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

  15. Reasearch on Task-based Software Configuration Management Model%基于任务的软件配置管理模型的研究

    Institute of Scientific and Technical Information of China (English)

    毛佳; 张臻鉴

    2013-01-01

    The characters of the conventional Software Configuration Management have been summarized.The Task Based Software Configuration Management Model is researched,which aims at dispersant on management and difficulty on creating relationship between data versions.This model adds the task level,takes the function request as the objective,and creates task notes.Through finishing the tasks,the traceability between the top objective and related configuration items is established.%介绍了传统配置管理模型的特点,针对其管理分散、难于在数据以及数据版本间建立关联等问题,对基于任务的软件配置管理模型进行了深入研究.模型在传统的配置管理模型中增加任务层,以功能要求为目标驱动,创建任务结点,通过任务的完成建立起上层目标与所有相关的配置项及配置项版本的关联,从而实现了目标与基本管理单元的自动追踪.

  16. 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......The first reported twisted bis-lactam, a racemic Troger's base (TB) analogue (2), was resolved into its enantiomers on a chiral stationary phase HPLC column. The absolute configuration of (+)-2 was determined to be (R,R)-2 by comparing experimental and calculated vibrational circular dichroism (VCD......) and electronic circular dichroism (ECD) spectra. The absolute configuration of (-)-2 was determined by comparing experimental and calculated electronic circular dichroism (ECD) spectra. The corresponding theoretical spectra were calculated using the lowest energy conformation of (R,R)-2 and (S,S)-2 at the B3LYP...

  17. Device configuration-management system

    International Nuclear Information System (INIS)

    The Fusion Chamber System, a major component of the Magnetic Fusion Test Facility, contains several hundred devices which report status to the Supervisory Control and Diagnostic System for control and monitoring purposes. To manage the large number of diversity of devices represented, a device configuration management system was required and developed. Key components of this software tool include the MFTF Data Base; a configuration editor; and a tree structure defining the relationships between the subsystem devices. This paper will describe how the configuration system easily accomodates recognizing new devices, restructuring existing devices, and modifying device profile information

  18. Are both symmetric and buckled dimers on Si(100) minima? Density functional and multireference perturbation theory calculations

    Energy Technology Data Exchange (ETDEWEB)

    Jung, Yousung; Shao, Yihan; Gordon, Mark S.; Doren, Douglas J.; Head-Gordon, Martin

    2003-08-29

    We report a spin-unrestricted density functional theory (DFT) solution at the symmetric dimer structure for cluster models of Si(100). With this solution, it is shown that the symmetric structure is a minimum on the DFT potential energy surface, although higher in energy than the buckled structure. In restricted DFT calculations the symmetric structure is a saddle point connecting the two buckled minima. To further assess the effects of electron correlation on the relative energies of symmetric versus buckled dimers on Si(100), multireference second order perturbation theory (MRMP2) calculations are performed on these DFT optimized minima. The symmetric structure is predicted to be lower in energy than the buckled structure via MRMP2, while the reverse order is found by DFT. The implications for recent experimental interpretations are discussed.

  19. A Novel Attempt to Standardize Results of CFD Simulations Basing on Spatial Configuration of Aortic Stent-Grafts

    Science.gov (United States)

    Polanczyk, Andrzej; Podyma, Marek; Trebinski, Lukasz; Chrzastek, Jaroslaw; Zbicinski, Ireneusz; Stefanczyk, Ludomir

    2016-01-01

    Currently, studies connected with Computational Fluid Dynamic (CFD) techniques focus on assessing hemodynamic of blood flow in vessels in different conditions e.g. after stent-graft’s placement. The paper propose a novel method of standardization of results obtained from calculations of stent-grafts' “pushing forces” (cumulative WSS—Wall Shear Stress), and describes its usefulness in diagnostic process. AngioCT data from 27 patients were used to reconstruct 3D geometries of stent-grafts which next were used to create respective reference cylinders. We made an assumption that both the side surface and the height of a stent-graft and a reference cylinder were equal. The proposed algorithm in conjunction with a stent-graft “pushing forces” on an implant wall, allowed us to determine which spatial configuration of a stent-graft predispose to the higher risk of its migration. For stent-grafts close to cylindrical shape (shape factor φ close to 1) WSS value was about 267Pa, while for stent-grafts different from cylindrical shape (φ close to 2) WSS value was about 635Pa. It was also noticed that deformation in the stent-graft’s bifurcation part impaired blood flow hemodynamic. Concluding the proposed algorithm of standardization proved its usefulness in estimating the WSS values that may be useful in diagnostic process. Angular bends or tortuosity in bifurcations of an aortic implant should be considered in further studies of estimation of the risk of implantation failure. PMID:27073907

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

    International Nuclear Information System (INIS)

    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.

  1. 基于赋时事件图的周期可重构流水作业构形建模与优化%Cyclic Reconfigurable Flow Shop under Different Configurations Modeling and Optimization Based on Timed Event Graph

    Institute of Scientific and Technical Information of China (English)

    任思成; 徐德; 王芳; 谭民

    2006-01-01

    Based on the idea that modules are independent of machines, different combinations of modules and machines result in different configurations and the system performances differ under different configurations, a kind of cyclic reconfigurable flow shops are proposed for the new manufacturing paradigm-reconfigurable manufacturing system. The cyclic reconfigurable flow shop is modeled as a timed event graph. The optimal configuration is defined as the one under which the cyclic reconfigurable flow shop functions with the minimum cycle time and the minimum number of pallets. The optimal configuration, the minimum cycle time and the minimum number of pallets can be obtained in two steps.

  2. Recommendation Technologies for Configurable Products

    OpenAIRE

    Falkner, Andreas; Siemens AG Austria; Felfernig, Alexander; Graz University of Technology; Haag, Albert; SAP AG

    2011-01-01

    State of the art recommender systems support users in the selection of items from a predefined assortment (for example, movies, books, and songs). In contrast to an explicit definition of each individual item, configurable products such as computers, financial service portfolios, and cars are repre¬sented in the form of a configuration knowledge base that describes the properties of allowed instances. Although the knowledge representation used is different compared to non-confi¬gurable produc...

  3. Systems-based modeling of generation variability under alternate geographic configurations of photovoltaic (PV) installations in Virginia

    International Nuclear Information System (INIS)

    With increased focus on renewable energy in our modern era, it is increasingly important to understand the impact of policies on the performance and reliability of regional energy systems. This research develops a model to understand how geographic dispersion of PV installations impacts the reliability of electricity generated from the total PV network, measured by the variance of the distribution of generated electricity. Using NREL data, beta probability distributions of sunlight (kWh/m2/day) in various regions of Virginia are estimated using a fitting method that minimizes the Kolmogorov-Smirnov test statistic. A Monte Carlo simulation model is developed to measure PV electricity generation from multiple centralized and dispersed configurations over 100,000 days of probabilistic sunlight. There is a calculable tradeoff between average generation and generation variability, and increased geographic dispersion of PV installations can decrease this variability. Controlling variable generation through policies that promote efficient PV siting can help provide reliable power, minimizing the need for load-balancing peaking power infrastructure and costly electricity purchases from the grid. Using a tradeoff framework of generation and costs, this paper shows that geographically dispersed generation can mitigate the risk of unreliable solar generation that can significantly impact the end-user costs and make PV infrastructure unattractive. - Highlights: → We model how uncertain sunlight affects generation of different PV systems. → We show that geographically dispersed systems decrease generation variability. → Geographically dispersed PV systems are potentially more costly in the short run. → Controlling variability provides reliable power, which can decrease long-run costs. → Promoting mixes of uncertain energy sources requires assessment of these tradeoffs.

  4. Superior lithium-ion storage properties of si-based composite powders with unique Si@carbon@void@graphene configuration.

    Science.gov (United States)

    Choi, Seung Ho; Jung, Dae Soo; Choi, Jang Wook; Kang, Yun Chan

    2015-01-26

    Composite powders of the configuration Si@carbon@void@graphene were prepared by a one-step spray pyrolysis process, by adding polyvinylpyrrolidone (PVP) to a precursor solution containing graphene oxide (GO) sheets and silicon nanoparticles (NPs). Morphological analysis indicates that the individual Si NPs are coated with amorphous carbon and encapsulated in a micrometer-sized graphene ball structure that offers a large amount of buffer space. The addition of PVP improves the stability of the colloidal spray solution containing the GO sheets and the Si NPs. Consequently, the prepared Si@C@void@graphene composite powders have a relatively more uniform morphology than the Si@void@graphene composite powders prepared from the spray solution without PVP. The first charge and discharge capacities of the Si@C@void@graphene electrode measured at 0.1 A g(-1) are as high as 3102 and 2215 mA h g(-1) , respectively. With an increase in the current rate from 0.5 to 11 A g(-1) , 46 % of the original capacity (i.e., 2134 mA h g(-1) ) is maintained. After 500 cycles at a high rate of 7 A g(-1) , the Si@C@void@graphene electrode shows 84 % capacity retention and 99.8 % of the average Coulombic efficiency. The superior cycling and rate capabilities of the prepared Si@C@void@graphene electrode could be attributed to the uniform carbon coating of the Si NPs and the graphene ball structure, which facilitates efficient diffusion of Li ions and prevents the penetration of electrolyte into graphene ball during cycling. PMID:25450157

  5. Simulation and thermoeconomic analysis of different configurations of gas turbine (GT)-based dual-purpose power and desalination plants (DPPDP) and hybrid plants (HP)

    International Nuclear Information System (INIS)

    This paper contains a simulation and a thermoeconomic analysis of several configurations of gas turbine (GT)-based dual-purpose power and desalination plants (DPPDP): Gas turbine with reverse osmosis (GT+RO), combined cycle with reverse osmosis (CC+RO), combined cycle with multi-effect distillation (CC+MED) and two different hybrid plant (HP) arrangements combining CC, MED and RO (CC+MED+RO, CC+MED+RO bis ). The last two configurations only differ from the feed solution to the MED units (raw seawater or brine coming from the RO discharge). A complete thermodynamic simulation at both design and at part load conditions has been made, as well as an exergy and an exergo-economic (thermoeconomic) analysis of each configuration, in order to compare the evolution of the water and electricity cost for different arrangements. The results show that even for a significantly reduced fuel cost (1.42 $/GJ), the CC is much more profitable than a GT operating in open cycle, with electricity cost values of 1.647 and 2.166 c$/kWh, respectively. As was expected, RO is more efficient and profitable than MED desalination processes, the difference in the obtained desalted water cost being significant. In the hybrid configuration with MED fed by the RO brine discharge, a decrease in the equivalent electrical consumption of nearly 2 kWh/m3 was achieved, but even in this case RO was more efficient (14.15 vs. 4.048 kWh/m3). The evolution of electricity cost in each configuration is more similar at part load operation than at full load, but in the case of water cost, RO is once again more profitable and less sensitive to load variations. Costs given in this paper correspond to investment and fuel costs. Further, profitability and operation strategies of HP, i.e., DPPDP combining distillation and membrane processes, are also analyzed. It is shown that HP can be more profitable than RO plants in the case of increasing the water production capacity of existing DPPDP, because the profit margin

  6. (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. PMID:26682898

  7. 一种基于Web组态技术的安全生产调度系统%A Security Production Dispatching System Based on Web Configuration Technology

    Institute of Scientific and Technical Information of China (English)

    罗海英

    2012-01-01

    A security production dispatching system based on web configuration technology is an advanced information system that integrates Internet,Database,XML and Web configuration technology.The system combines organically information of real-time data of safety monitoring and production scheduling,and digitizes it and finally discloses solution Visual Graph via ActiveX-based components of Web configuration to achieve standardization,normalization,and high efficiency of coal mine safety production scheduling.This system has been successfully utilized in coal mine for one years and achieved expected success of providing fresh,quantitative,and truthful production scheduling information for safety production scheduling and management department.%一种基于Web组态技术的安全生产调度系统是一套先进的综合Internet、数据库、XML及Web组态等技术的信息系统。该系统可广泛用于煤矿生产、水利调度等领域,该系统将安全监控、生产调度的实时数据等信息有机地融合起来,进行数字化处理,通过基于ActiveX的组态元件Web发布解决方案Visual Graph实现了安全生产调度的标准化、规范化、高效化。该系统已在企业安全运行一年,可为安全生产调度管理部门提供及时、定量、真实可靠的调度信息,取得了满意的效果。

  8. Component versioning for protocol configuration management

    Institute of Scientific and Technical Information of China (English)

    CHEN Tian-zhou; HE Zhen-jie; HUANG Jiang-wei; DAI Hong-jun

    2005-01-01

    Classical software configuration management which deals with source code versioning becomes insufficient when most components are distributed in binary form. As an important aspect of software configuration, protocol configuration also encounters those problems. This paper focuses on solving protocol component versioning issues for protocol configuration management on embedded system, incorporating the following versioning issues: version identification, version description and protocol component archiving and retrieving based on the version library.

  9. Configurable Aperture Space Telescope

    Science.gov (United States)

    Ennico, Kimberly; Bendek, Eduardo

    2015-01-01

    In December 2014, we were awarded Center Innovation Fund to evaluate an optical and mechanical concept for a novel implementation of a segmented telescope based on modular, interconnected small sats (satlets). The concept is called CAST, a Configurable Aperture Space Telescope. With a current TRL is 2 we will aim to reach TLR 3 in Sept 2015 by demonstrating a 2x2 mirror system to validate our optical model and error budget, provide straw man mechanical architecture and structural damping analyses, and derive future satlet-based observatory performance requirements. CAST provides an alternative access to visible and/or UV wavelength space telescope with 1-meter or larger aperture for NASA SMD Astrophysics and Planetary Science community after the retirement of HST

  10. 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...

  11. Free electrons and ionic liquids: study of excited states by means of electron-energy loss spectroscopy and the density functional theory multireference configuration interaction method

    OpenAIRE

    Regeta, Khrystyna; Bannwarth, Christoph; Grimme, Stefan; Allan, Michael

    2015-01-01

    The technique of low energy (0–30 eV) electron impact spectroscopy, originally developed for gas phase molecules, is applied to room temperature ionic liquids (IL). Electron energy loss (EEL) spectra recorded near threshold, by collecting 0–2 eV electrons, are largely continuous, assigned to excitation of a quasi-continuum of high overtones and combination vibrations of low-frequency modes. EEL spectra recorded by collecting 10 eV electrons show predominantly discrete vibrational and electron...

  12. 航天应用FPGA配置可靠性研究%Research on the Reliability of FPGA Configuration in Space-based Systems

    Institute of Scientific and Technical Information of China (English)

    王文华; 韩双丽; 张宇; 李国宁; 李新娥; 任建岳

    2011-01-01

    Designers of space-based systems face unique challenges to insure each unit against failure.FPGA are used gradually in the aerospace field since it is invented with abundant I/O pins and flexible design margin.Many manufactures have been improving those space-qualified FPGA devices to adapt the aerospace high-radiation environments.FPGA devices based on SRAMs have to load configuration data from external PROMs on power-up before the logic is activated.However, not each batch or each device can be configured successfully with zero-failure.This paper explores every possible factor such as enviroment temperature, signal integrality, configuration rate and so on.Aiming at Xilinx FPGA devices, this paper provides a series of safeguard solutions for higher reliability of configuration.It has significant reference value in aerospace application fields for its feasibility and reliability.%航天应用系统必须保证每一单元的安全性及可靠性.现场可编程门阵列(Field Programmable Gate Array,FPGA),以其I/O管脚丰富、设计灵活等优势,逐渐被广泛应用于航天领域.其设计与工艺不断完善,以适应太空中电子辐射等复杂的工作环境.由于基于SRAM的FPGA芯片断电后程序丢失,因此每次上电后都需要先从PROM等外部存储器中加载程序才能正常工作.然而,并不是每一个芯片的每一次加载配置都能成功完成,FPGA的上电配置结果将直接关系到卫星任务的成败.研究发现,诸如环境温度'信号完整性、供电电压、配置时钟速率等因素会影响FPGA的配置过程,致使出现偶尔的配置失败,这在航天应用中是绝对不允许的.针对实际应用的Xilinx公司FPGA芯片,为提高上电配置可靠性,提出了一系列设计保障措施,在FPGA航天应用领域具有一定的参考价值.

  13. Towards a configuration interaction method with flexible spaces

    International Nuclear Information System (INIS)

    A configuration interaction (CI) method is presented in which the space of configuration state functions expands in every iteration until all numerically significant configurations are taken into account. The algorithm is based on a new scheme of addressing unstructured sets of configurations and on the projection into the space of intermediate spin-adapted configurations with 2 electrons fixed on ghost orbitals

  14. 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.

  15. Research on Product Family Configuration Based on Multidimensional Association Rules%基于多维关联规则的产品族配置研究

    Institute of Scientific and Technical Information of China (English)

    罗妤; 郭钢; 徐建萍

    2011-01-01

    A product configuration method based on association rule was introduced aiming at the choice of optional parts in product configuration of large complex products.A component-constraint-rule data warehouse(CCRDW) could be built with the information of product family BOM(bill of material) structure.According to the parameters of customer requirements,a data cube from the data warehouse could be established and by using multidimensional association rule data mining algorithm on the data cube,the appropriate components in materials store would be found.The configuration method of a gear box and its instance was presented.The method has advantages in enhancing the efficiency and reusability of the components.%针对产品配置中可选零部件的选择问题,提出了基于多维关联规则的产品族配置方法:根据产品族BOM结构,构建零部件约束规则数据仓库,设计人员根据客户的产品需求参数建立数据立方,并运用多维关联规则挖掘出物料库中潜在的、能满足配置需求的物料信息,实现产品的个性化配置。实例验证了该配置方法的可行性。该配置方法有效地提高了产品配置效率及零部件的重用性。

  16. 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).

  17. 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...

  18. 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.

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

    International Nuclear Information System (INIS)

    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.)

  20. Optimization Method for Configurable Products Based on Conjoint Analysis%基于联合分析的可配置产品优化选择方法

    Institute of Scientific and Technical Information of China (English)

    雒兴刚; 杨勇

    2012-01-01

    An optimization method for selection of configurable products based on conjoint analysis was proposed.By applying this method,an optimal configured product and some near-optimal solutions can be generated after input customer requirements,product budget and lead time.The establishment of the mathematical model for proposed approach was explained.The feasibility of the approach was evaluated through a case study.%提出一种基于联合分析的可配置产品优化选择新方法,在用户输入顾客需求、产品总预算和产品交货周期后,可以为顾客自动选择一个能最大限度满足顾客需求的定制产品,并同时提供次优的备选产品。给出了该方法的优化数学模型的详细建立过程,并通过案例分析验证了方法的可行性。

  1. 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.

  2. 基于配置文件的web页面自动生成系统%The Web Page Auto-generating System based on Configuration Files

    Institute of Scientific and Technical Information of China (English)

    尹航; 詹舒波

    2014-01-01

    In order to improve the efficiency of web application development, a lot of automatic generation tool have been proposed,such as the tool based on template and the page editing tool. But the requirements for developers are still too high, and the automation degree is low. This paper introduces a web page auto-generating system based on xml files, which converts the xml file to the web page. All these pages constitute the whole web application. These configuration files de-scribe the sytle, components, interactive logics of the page and the relations between components and database. The data-base structure is described by another configuration files. Users do not need to write code, instead of writing the xml confi-guration files, which greatly improves the efficiency of web development, reduce the cost of development and maintainance.%为了提高web应用的开发效率,产生了很多自动生成工具,如基于模板、可视化页面编辑工具。但仍需要开发人员具备较高的专业技能,并且生成工具的自动化程度不高。本文给出了一个解析xml配置文件生成web页面,并由这些页面组成完整的web系统的自动生成工具。Xml配置文件用于描述页面的风格、控件、交互逻辑以及页面元素与后台的数据的关联等信息,同时数据库表的结构也通过后台 xml配置文件描述。用户无需编写前台和后台代码,而只需要书写描述页面的配置文件,这大大提高了web开发的效率,降低了开发和维护的成本。

  3. 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.

  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. 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. 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.

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

    International Nuclear Information System (INIS)

    We report an all-fiber two-stage high power pulsed amplifier, seeded with a 1550 nm, 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 maximal 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. (fundamental areas of phenomenology (including applications))

  8. 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.

  9. 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 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...

  10. 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.

  11. 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.

  12. 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.

  13. Pyramidal central configurations and perverse solutions

    OpenAIRE

    Zhifu Xie; Shiqing Zhang

    2004-01-01

    For $n$-body problems, a central configuration (CC) plays an important role. In this paper, we establish the relation between the spatial pyramidal central configuration (PCC) and the planar central configuration. We prove that the base of PCC is also a CC and we also prove that for some given conditions a planar CC can be extended to a PCC. In particular, if the pyramidal central configuration has a regular polygon base, then the masses of base are equal and the distance between the top vert...

  14. Configuration management at NEK

    International Nuclear Information System (INIS)

    Configuration Management (CM) objectives at NEK are to ensure consistency between Design Requirements, Physical Plant Configuration and Configuration Information. Software applications, supporting Design Change, Work Control and Document Control Processes, are integrated in one module-oriented Management Information System (MIS). Master Equipment Component List (MECL) database is central MIS module. Through a combination of centralized database and process migrated activities it is ensured that the CM principles and requirements (accurate, current design data matching plant's physical configuration while complying to applicable requirements), are followed and fulfilled.(author)

  15. 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.

  16. 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...

  17. Towards numerically robust multireference theories: The driven similarity renormalization group truncated to one- and two-body operators

    CERN Document Server

    Li, Chenyang

    2016-01-01

    The first nonperturbative version of the multireference driven similarity renormalization group (MR-DSRG) theory [C. Li and F. A. Evangelista, J. Chem. Theory Comput. $\\mathbf{11}$, 2097 (2015)] is introduced. The renormalization group structure of the MR-DSRG equations ensures numerical robustness and avoidance of the intruder state problem, while the connected nature of the amplitude and energy equations guarantees size consistency and extensivity. We approximate the MR-DSRG equations by keeping only one- and two-body operators and using a linearized recursive commutator approximation of the Baker--Campbell--Hausdorff expansion [T. Yanai and G. K.-L. Chan, J. Chem. Phys. $\\mathbf{124}$, 194106 (2006)]. The resulting MR-LDSRG(2) equations contain only 39 terms and scales as ${\\cal O}(N^2 N_{\\rm P}^2 N_{\\rm H}^2)$ where $N_{\\rm H}$, $N_{\\rm P}$, and $N$ correspond to the number of hole, particle, and total orbitals, respectively. Benchmark MR-LDSRG(2) computations on the hydrogen fluoride and molecular nitrog...

  18. A comparison of neutral and charged species of one- and two-dimensional models of graphene nanoribbons using multireference theory

    Energy Technology Data Exchange (ETDEWEB)

    Horn, Shawn [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061 (United States); Lischka, Hans, E-mail: hans.lischka@univie.ac.at [Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas 79409-1061 (United States); Institute for Theoretical Chemistry, University of Vienna, Waehringerstrasse 17, 1090 Vienna (Austria)

    2015-02-07

    This study examines the dependence of the polyradical character of charged quasi-linear n-acenes and two-dimensional periacenes used as models for graphene nanoribbons in comparison to the corresponding neutral compounds. For this purpose, high-level ab initio calculations have been performed using the multireference averaged quadratic coupled cluster theory. Vertical ionization energies and electron affinities have been computed. Systematic tests show that the dependence on chain length of these quantities can be obtained from a consideration of the π system only and that remaining contributions coming from the σ orbitals or extended basis sets remain fairly constant. Using best estimate values, the experimental values for the ionization energy of the acene series can be reproduced within 0.1 eV and the experimental electron affinities within 0.4 V. The analysis of the natural orbital occupations and related unpaired electron densities shows that the ionic species exhibit a significant decrease in polyradical character and thus an increased chemical stability as compared to the neutral state.

  19. 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).

  20. Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory.

    Science.gov (United States)

    Banik, Subrata; Ravichandran, Lalitha; Brabec, Jiří; Hubač, Ivan; Kowalski, Karol; Pittner, Jiří

    2015-03-21

    As a further development of the previously introduced a posteriori Universal State-Selective (USS) corrections [K. Kowalski, J. Chem. Phys. 134, 194107 (2011); J. Brabec et al., ibid. 136, 124102 (2012)], we suggest an iterative form of the USS correction by means of correcting effective Hamiltonian matrix elements. We also formulate USS corrections via the left Bloch equations. The convergence of the USS corrections with excitation level towards the full configuration interaction (FCI) limit is also investigated. Various forms of the USS and simplified diagonal USS corrections at the singles and doubles and perturbative triple levels are numerically assessed on several model systems and on the ozone and tetramethyleneethane molecules. It is shown that the iterative USS correction can successfully replace the previously developed a posteriori Brillouin-Wigner coupled cluster size-extensivity correction, while it is not sensitive to intruder states and performs well also in other cases when the a posteriori one fails, like, e.g., for the asymmetric vibration mode of ozone. PMID:25796230

  1. 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.

  2. 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

    2015-01-01

    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. PMID:26393594

  3. Visualization of the CMS python configuration system

    International Nuclear Information System (INIS)

    The job configuration system of the CMS experiment is based on the Python programming language. Software modules and their order of execution are both represented by Python objects. In order to investigate and verify configuration parameters and dependencies naturally appearing in modular software, CMS employs a graphical tool. This tool visualizes the configuration objects, their dependencies, and the information flow. Furthermore it can be used for documentation purposes. The underlying software concepts as well as the visualization are presented.

  4. Equivariant configuration spaces

    OpenAIRE

    Rourke, Colin; Sanderson, Brian

    1997-01-01

    We use the compression theorem (arxiv:math.GT/9712235) cf section 7, to prove results for equivariant configuration spaces analogous to the well-known non-equivariant results of May, Milgram and Segal.

  5. FEL phased array configurations

    Science.gov (United States)

    Shellan, Jeffrey B.

    1986-01-01

    The advantages and disadvantages of various phased array and shared aperture concepts for FEL configurations are discussed. Consideration is given to the characteristics of intra- and inter-micropulse phasing; intra-macropulse phasing; an internal coupled resonator configuration; and an injection locked oscillator array. The use of a master oscillator power amplifier (MOPA) configuration with multiple or single master oscillators for FELs is examined. The venetian blind, rotating plate, single grating, and grating rhomb shared aperture concepts are analyzed. It is noted that the shared aperture approach using a grating rhomb and the MOPA concept with a single master oscillator and a coupled resonator are useful for FEL phased array configurations; and the MOPA concept is most applicable.

  6. Determination of DTL configurations

    International Nuclear Information System (INIS)

    A computer code (DLT) has been developed for quickly designing and evaluating different drift-tube linac (DLC) configurations. Inputs to the code include the power losses on reference DTL components determined previously by a computer code such as SUPERFISH. The scaling parameters for the new DTL configuration are beta (particle velocity), accelerating gradient, synchronous phase angle, transit-time factor, and the number of cells per DTL tank. Resulting calculations determine cell size, rf power losses, beam energy, and DTL length of the new configuration. A complete new configuration can be generated in a few seconds on an Apple II computer. Accuracy of this code is within 1% of the more sophisticated code PARMILA

  7. 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.

  8. 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...

  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. Computer software configuration management

    International Nuclear Information System (INIS)

    This report reviews the basic elements of software configuration management (SCM) as defined by military and industry standards. Several software configuration management standards are evaluated given the requirements of the nuclear industry. A survey is included of available automated tools for supporting SCM activities. Some information is given on the experience of establishing and using SCM plans of other organizations that manage critical software. The report concludes with recommendations of practices that would be most appropriate for the nuclear power industry in Canada

  11. Compact Torsatron configurations

    International Nuclear Information System (INIS)

    Low-aspect-ratio stellarator configurations can be realized by using torsatron winding. Plasmas with aspect ratios in the range of 3.5 to 5 can be confined by these Compact Torsatron configurations. Stable operation at high Β should be possible in these devices, if a vertical field coil system is adequately designed to avoid breaking of the magnetic surfaces at finite Β. 17 refs., 21 figs., 1 tab

  12. 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...... 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....

  13. Hubble Space Telescope Configuration

    Science.gov (United States)

    1985-01-01

    This image illustrates the overall Hubble Space Telescope (HST) configuration. The HST is the product of a partnership between NASA, European Space Agency Contractors, and the international community of astronomers. It is named after Edwin P. Hubble, an American Astronomer who discovered the expanding nature of the universe and was the first to realize the true nature of galaxies. The purpose of the HST, the most complex and sensitive optical telescope ever made, is to study the cosmos from a low-Earth orbit. By placing the telescope in space, astronomers are able to collect data that is free of the Earth's atmosphere. The HST detects objects 25 times fainter than the dimmest objects seen from Earth and provides astronomers with an observable universe 250 times larger than visible from ground-based telescopes, perhaps as far away as 14 billion light-years. The HST views galaxies, stars, planets, comets, possibly other solar systems, and even unusual phenomena such as quasars, with 10 times the clarity of ground-based telescopes. The major elements of the HST are the Optical Telescope Assembly (OTA), the Support System Module (SSM), and the Scientific Instruments (SI). The HST is approximately the size of a railroad car, with two cylinders joined together and wrapped in a silvery reflective heat shield blanket. Wing-like solar arrays extend horizontally from each side of these cylinders, and dish-shaped anternas extend above and below the body of the telescope. The HST was deployed from the Space Shuttle Discovery (STS-31 mission) into Earth orbit in April 1990. The Marshall Space Flight Center had responsibility for design, development, and construction of the HST. The Perkin-Elmer Corporation, in Danbury, Connecticut, developed the optical system and guidance sensors. The Lockheed Missile and Space Company of Sunnyvale, California produced the protective outer shroud and spacecraft systems, and assembled and tested the finished telescope.

  14. Configuration of the base of the Edwards-Trinity aquifer system and hydrogeology of the underlying pre-Cretaceous rocks, west-central Texas

    Science.gov (United States)

    Barker, Rene A.; Ardis, Ann F.

    1992-01-01

    The Edwards-Trinity aquifer system is underlain by an extensive complex of rocks, ranging from Late Cambrian through Late Triassic in age, that are typically about 10 to perhaps 1,000 times less permeable than those composing the aquifer system. The Cretaceous rocks of the aquifer system are separated from the pre-Cretaceous rocks by an unconformity that spans about 60 million years of erosion during the Jurassic Period. The upper surface of the pre-Cretaceous rock complex forms the base of the Edwards-Trinity aquifer system. The configuration of the base reflects the original topography of the eroded pre-Cretaceous land surface plus the effects of subsequent deformation. The most permeable pre-Cretaceous rocks are in the eastern half of the study area where they compose the Hickory aquifer (in Upper Cambrian rocks), Ellenburger-San Saba aquifer (Upper Cambrian- Lower Ordovician), and Marble Falls aquifer (Lower Pennsylvanian). These aquifers are hydraulically connected to the northeastern fringe of the Edwards-Trinity aquifer system, as their up-turned margins crop out around the flanks of the breached Llano uplift. The Rustler aquifer in rocks of Late Permian age underlies parts of the Trans-Pecos region, where it yields small amounts of greatly mineralized water for industrial and agricultural purposes. The Dockum aquifer in rocks of Late Triassic age directly underlies the Edwards-Trinity aquifer system in western parts of the study area, and locally increases the saturated thickness of the ground-water-flow system by an average of about 200 feet. Despite these notable exceptions, the collective effect of the pre-Cretaceous rocks is that 01 a barrier to ground-water flow, which limits the exchange of water across the base of the Edwards-Trinity aquifer system.

  15. Study of low-lying electronic states of ozone by multireference Møller-Plesset perturbation method

    Science.gov (United States)

    Tsuneda, T.; Nakano, H.; Hirao, K.

    1995-10-01

    The geometry and relative energy of the seven low-lying electronic states of ozone and the ground state of ozonide anion have been determined in C2v symmetry by the complete active space self-consistent field (CASSCF) and the multireference Møller-Plesset perturbation (MRMP) methods. The results are compared with the photodetachment spectra of O-3 observed recently by Arnold et al. The theoretical electron affinity of ozone is 1.965 eV, which is 0.14 eV below the experimental result of 2.103 eV. The calculated adiabatic excitation energies (assignment of Arnold et al. in parentheses) of ozone are 3A2 0.90 eV (1.18 eV), 3B2, 1.19 eV (1.30 eV), 3B1, 1.18 eV (1.45 eV), 1A2, 1.15 eV (˜1.6 eV), 1B1, 1.65 eV (2.05 eV), and 1B2, 3.77 eV (3.41 eV), respectively. Overall the present theory supports the assignment of Arnold et al. However, the simple considerations of geometry and energy are insufficient to determine a specific assignment of the 3B2 and 3B1 states. The dissociation energy of the ground state of ozone is computed to be 0.834 eV at the present level of theory. The present theory also predicts that none of the excited states lies below the ground state dissociation limit of O3.

  16. 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.

  17. Description of electron transfer in the ground and excited states of organic donor–acceptor systems by single-reference and multi-reference density functional methods

    International Nuclear Information System (INIS)

    Electron transfer in the ground and excited states of a model donor–acceptor (D–A) system is investigated using the single-reference and multi-reference density functional theory (DFT) methods. To analyze the results of the calculations, a simple two-site multi-reference model was derived that predicts a stepwise electron transfer in the S0 state and a wave-like dependence of the S1 electron transfer on the external stimulus. The standard single-reference Kohn-Sham (KS) DFT approach and the time-dependent DFT (TDDFT) method failed to describe the correct dependence of the S0 and S1 electron transfer on the external electric field applied along the donor–acceptor system. The multi-reference DFT approach, the spin-restricted ensemble-referenced KS (REKS) method, was able to successfully reproduce the correct behavior of the S0 and S1 electron transfer on the applied field. The REKS method was benchmarked against experimentally measured gas phase charge transfer excitations in a series of organic donor–acceptor complexes and displayed its ability to describe this type of electronic transitions with a very high accuracy, mean absolute error of 0.05 eV with the use of the standard range separated density functionals. On the basis of the calculations undertaken in this work, it is suggested that the non-adiabatic coupling between the S0 and S1 states may interfere with the electron transfer in a weakly coupled donor–acceptor system. It is also suggested that the electronic excitation of a D+–A− system may play a dual role by assisting the further electron transfer at certain magnitudes of the applied electric field and causing the backward transfer at lower electric field strengths

  18. 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...

  19. Dynamic Model-Based Evaluation of Process Configurations for Integrated Operation of Hydrolysis and Co-Fermentation for Bioethanol Production from Lignocellulose

    DEFF Research Database (Denmark)

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

    2011-01-01

    In this study a number of different process flowsheets were generated and their feasibility evaluated using simulations of dynamic models. A dynamic modeling framework was used for the assessment of operational scenarios such as, fed-batch, continuous and continuous with recycle configurations. E......) operating 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........ Each configuration was evaluated 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 show that simultaneous saccharification and co-fermentation (SSCF...

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

    OpenAIRE

    Altun, Ahmet; Yokoyama, Shozo; Morokuma, Keiji

    2008-01-01

    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 m...

  1. 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...

  2. 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.

  3. 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.

  4. Isospin mixing within the multi-reference nuclear density functional theory and beyond - selected aspects

    CERN Document Server

    Satula, W; Konieczka, M; Nazarewicz, W

    2013-01-01

    The results of systematic calculations of isospin-symmetry-breaking corrections to superallowed beta-decays based on the self-consistent isospin- and angular-momentum-projected nuclear density functional theory (DFT) are reviewed with an emphasis on theoretical uncertainties of the model. Extensions of the formalism towards no core shell model approach with basis cutoff scheme dictated by the self-consistent particle-hole DFT solutions will be also discussed.

  5. 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.

  6. SPR based fiber-optic sensor with enhanced electric field intensity and figure of merit using different single and bimetallic configurations

    Science.gov (United States)

    Tabassum, Rana; Gupta, Banshi D.

    2016-05-01

    We present numerical simulations of electric field intensity, sensitivity and figure of merit (FOM) for different single and bimetallic configured surface plasmon resonance (SPR) fiber optic sensors. The metals considered are gold (Au), silver (Ag), copper (Cu) and aluminum (Al). The overall performance of the sensor is evaluated in terms of electric field intensity, sensitivity, FOM, chemical stability and the cost of fabrication of the sensor. More specifically, in terms of the sensing parameters, Al and Cu bimetallic configuration is found to be much better than the single and the other bimetallic configured sensors. The bimetallic configuration of Al and Cu for fiber optic SPR sensor is also evaluated experimentally. Additionally, the film adhesion capability of both the materials gets improved when used in bimetallic combination which further improves the chemical stability of the sensor; this is a serious problem with Al and Cu in their single layer configuration. The combinations which possess gold as outer layer are more chemically stable but found to be weaker in terms of sensing parameters and cost of fabrication as gold is highly expensive.

  7. Knowledge Engineering for Embedded Configuration

    DEFF Research Database (Denmark)

    Oddsson, Gudmundur Valur

    2008-01-01

    . Simplifications of the internal workings are both due to hardware- and application-induced configuration taking place both within the overall system and in each subsystem. By relating parameters in such a way, the number of user inputs or decision variables should decrease drastically, thus increasing the overall...... that have been treated with extreme postponement, meaning that variance is given with variables while installing. Variables here can be both software- and hardware-like in nature. These variables are defined as decision variables, and it is the reduction of these variables that is the overall goal. The next...... 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...

  8. 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.

  9. Space Station Final Configuration

    Science.gov (United States)

    1994-01-01

    An artist's conception of what the final configuration of the International Space Station (ISS) will look like when it is fully built and deployed. The ISS is a multidisciplinary laboratory, technology test bed, and observatory that will provide an unprecedented undertaking in scientific, technological, and international experimentation.

  10. 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.

  11. 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…

  12. 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.

  13. 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.

  14. Configuration Management Plan for K Basins

    International Nuclear Information System (INIS)

    This plan describes a configuration management program for K Basins that establishes the systems, processes, and responsibilities necessary for implementation. The K Basins configuration management plan provides the methodology to establish, upgrade, reconstitute, and maintain the technical consistency among the requirements, physical configuration, and documentation. The technical consistency afforded by this plan ensures accurate technical information necessary to achieve the mission objectives that provide for the safe, economic, and environmentally sound management of K Basins and the stored material. The configuration management program architecture presented in this plan is based on the functional model established in the DOE Standard, DOE-STD-1073-93, open-quotes Guide for Operational Configuration Management Programclose quotes

  15. 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.*

  16. Ringed Accretion Disks: Equilibrium Configurations

    Science.gov (United States)

    Pugliese, D.; Stuchlík, Z.

    2015-12-01

    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.

  17. The electronic states of 1,2,4-triazoles: A study of 1H- and1-methyl-1,2,4-triazole by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy and a comparison with ab initio configuration interaction computations

    DEFF Research Database (Denmark)

    Palmer, Michael H.; Camp, Philip J.; Hoffmann, Søren Vrønning; Jones, Nykola C.; Head, Ashley R.; Lichtenberger, Dennis L.

    2012-01-01

    The first vacuum ultraviolet absorption spectrum of a 1,2,4-triazole has been obtained and analyzed in detail, with assistance from both an enhanced UV photoelectron spectroscopic study and ab initio multi-reference multi-root configuration interaction procedures. For both 1H- and 1-methyl-1......,2,4-triazoles, the first ionization energy bands show complex vibrational structure on the low-energy edges of otherwise unstructured bands. Detailed analysis of these bands confirms the presence of three ionized states. The 6–7 eV VUV spectral region shows an unusual absorption plateau, which is interpreted in...

  18. Forced topological nontrivial field configurations

    International Nuclear Information System (INIS)

    The motion of a two-dimensional kink and its energy losses are considered as a model of interaction of a nontrivial topological field configuration with an external field. The approach is based on the calculation of the zero modes excitation probability in the external field. We study in the same way the interaction of the t'Hooft-Polyakov monopole with weak external fields. The basic idea is to treat the excitation of a monopole zero mode as the monopole displacement. The excitation is found perturbatively. As an example we consider the interaction of the t-Hooft-Polyakov monopole with an external uniform magnetic field. (author). 22 refs, 3 figs

  19. Observed benefits from product configuration systems

    DEFF Research Database (Denmark)

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

    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...... systems in industry companies and partly to assess if the objectives suggested are appropriate for describing the impact of product configuration systems and identifying other possible objectives. The empirical study of the com-panies also gives an indication of more overall performance indicators being...

  20. 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.

  1. 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.

  2. Optimal sensor configuration for complex systems

    DEFF Research Database (Denmark)

    Sadegh, Payman; Spall, J. C.

    1998-01-01

    Considers the problem of sensor configuration for complex systems. Our approach involves definition of an appropriate optimality criterion or performance measure, and description of an efficient and practical algorithm for achieving the optimality objective. The criterion for optimal sensor...... configuration is based on maximizing the overall sensor response while minimizing the correlation among the sensor outputs. The procedure for sensor configuration is based on simultaneous perturbation stochastic approximation (SPSA). SPSA avoids the need for detailed modeling of the sensor response by simply...... relying on observed responses as obtained by limited experimentation with test sensor configurations. We illustrate the approach with the optimal placement of acoustic sensors for signal detection in structures. This includes both a computer simulation study for an aluminum plate, and real...

  3. Integrating information systems in support of configuration management

    International Nuclear Information System (INIS)

    Many nuclear power plants are reconstructing, validating, and documenting their plant design basis using configuration management and configuration control processes. Successful implementation of configuration management requires an up-to-date, accurate, and accessible information base. The quantity of information and complexity of its interrelationships makes development of an integrated, multifunctional, computer-based information system important, if not necessary, to meeting configuration management objectives. This paper discusses the approach applied at Texas Utilities (TU) Electrics Comanche Peak steam electric station to integrate and computerize the information base in support of configuration management

  4. 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.

  5. 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.

  6. Working towards an ITIL Compliant Configuration Management

    OpenAIRE

    Omidiora, Abimbola

    2012-01-01

    The objective of this Thesis is to suggest how to implement an ITIL compliant configuration management based on a set of ITIL-oriented recommendations tailored for the case company. Information Technology Infrastructure Library (ITIL) is a de facto standard to manage complex IT systems which comprises best practices from IT Service Management (ITSM). Configuration Management (CM) is an integral part of ITIL processes designed to streamline IT management by systematizing IT environment, and th...

  7. Dopamine Adsorption Configurations on Anatase (101) Surface

    Science.gov (United States)

    Stashans, Arvids; Marcillo, Freddy; Castillo, Darwin

    2015-05-01

    Present work is based on the density functional theory (DFT) and generalized gradient approximation studies. Different adsorption geometries of dopamine, C8H11O2N, on the anatase (101) surface have been considered and carefully investigated. Bidentate chelating configuration with two molecular oxygens binding to the same surface titanium has been found to be the equilibrium case. The Ti-O distances for this configuration are obtained to be equal to 2.23 and 2.37 Å, respectively.

  8. Configurational Entropy Revisited

    Science.gov (United States)

    Lambert, Frank L.

    2007-09-01

    Entropy change is categorized in some prominent general chemistry textbooks as being either positional (configurational) or thermal. In those texts, the accompanying emphasis on the dispersal of matter—independent of energy considerations and thus in discord with kinetic molecular theory—is most troubling. This article shows that the variants of entropy can be treated from a unified viewpoint and argues that to decrease students' confusion about the nature of entropy change these variants of entropy should be merged. Molecular energy dispersal in space is implicit but unfortunately tacit in the cell models of statistical mechanics that develop the configurational entropy change in gas expansion, fluids mixing, or the addition of a non-volatile solute to a solvent. Two factors are necessary for entropy change in chemistry. An increase in thermodynamic entropy is enabled in a process by the motional energy of molecules (that, in chemical reactions, can arise from the energy released from a bond energy change). However, entropy increase is only actualized if the process results in a larger number of arrangements for the system's energy, that is, a final state that involves the most probable distribution for that energy under the new constraints. Positional entropy should be eliminated from general chemistry instruction and, especially benefiting "concrete minded" students, it should be replaced by emphasis on the motional energy of molecules as enabling entropy change.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Configuring the development space for conceptualization

    DEFF Research Database (Denmark)

    Brønnum, Louise; Clausen, Christian

    2013-01-01

    meet and interact. Based on a case study from an industrial medical company, the paper addresses and analyses the configuration of the development space in a number of projects aiming to take up user oriented perspectives in their activities. It presents insights on how the FEI was orchestrated...... and staged and how different elements and objects contributed to the configuration of the space in order to make it perform in a certain way. The analysis points at the importance of the configuration processes and indicate how these configurations often may act as more or less hidden limitations on concept......This paper addresses issues of conceptualization in the early stages of concept development noted as the Front End of Innovation [FEI]. We examine this particular development space as a socio technical space where a diversity of technological knowledge, user perspectives and organizational agendas...

  14. Configuration spaces of tori

    OpenAIRE

    Feler, Yoel

    2006-01-01

    The configuration space C^n of unordered n-tuples of distinct points on a torus T^2 is a non-singular complex algebraic variety. We study holomorphic self-maps of C^n and prove that for n>4 any such map F either carries the whole of C^n into an orbit of the diagonal Aut(T^2) action in C^n or is of the form F(x)=T(x)x for some holomorphic map T:C^n-->Aut(T^2). We also prove that for n>4 any endomorphism of the torus braid group B_n(T^2) with a non-abelian image preserves the pure torus braid g...

  15. 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.

  16. Configuration files processing in Sonix+

    International Nuclear Information System (INIS)

    The work is dedicated to configuration files processing in software package Sonix+. The work contains a list of software data processing drawbacks and their solutions. The structure of configuration files was formalized and the model providing editing of configurations files was developed during the work. The document contains logic of functions related with data processing and description of additional functions for developers.

  17. Relatedness with different interaction configurations.

    Science.gov (United States)

    Taylor, Peter D; Grafen, A

    2010-02-01

    In an inclusive fitness model of social behaviour, a key concept is that of the relatedness between two interactants. This is typically calculated with reference to a "focal" actor taken to be representative of all actors, but when there are different interaction configurations, relatedness must be constructed as an average over all such configurations. We provide an example of such a calculation in an island model with local reproduction but global mortality, leading to variable island size and hence variable numbers of individual interactions. We find that the analysis of this example significantly sharpens our understanding of relatedness. As an application, we obtain a version of Hamilton's rule for a tag-based model of altruism in a randomly mixed population. For large populations, the selective advantage of altruism is enhanced by low (but not too low) tag mutation rates and large numbers of tags. For moderate population sizes and moderate numbers of tags, we find a window of tag mutation rates with critical benefit/cost ratios of between 1 and 3. PMID:19833134

  18. 基于易控组态软件的液位监控系统设计与实现%Liquid Level Monitoring System Based on lNSPEC Configuration Software

    Institute of Scientific and Technical Information of China (English)

    徐健

    2015-01-01

    以实验室的液位控制系统为例,构建一个基于易控组态软件的液位监控系统。阐述了系统的硬件构成和组态软件的设计过程,提供了实现基于易控组态软件的过程监控系统的一种解决方案,该方案具有一定的工程应用价值。%Liquid level control system of laboatory as an example of constructing a liquid level monitoring system based on lNSPEC configuration software.Hardware structure and design process of configuration software are described in detail in this paper,and a solution for realizing process monitoring system based on lNSPEC configuration software is provided.There are certain engineering value and applicability.

  19. 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.

  20. Configuration space Faddeev calculations

    International Nuclear Information System (INIS)

    The detailed study of few-body systems provides one of the most precise tools for studying the dynamics of nuclei. Our research program consists of a careful theoretical study of the nuclear few-body systems. During the past year we have completed several aspects of this program. We have continued our program of using the trinucleon system to investigate the validity of various realistic nucleon-nucleon potentials. Also, the effects of meson-exchange currents in nuclear systems have been studied. Initial calculations using the configuration-space Faddeev equations for nucleon-deuteron scattering have been completed. With modifications to treat relativistic systems, few-body methods can be applied to phenomena that are sensitive to the structure of the individual hadrons. We have completed a review of Relativistic Hamiltonian Dynamics in Nuclear and Particle Physics for Advances in Nuclear Physics. Although it is called a review, it is a large document that contains a significant amount of new research

  1. Planned evolution of airport airside configurations

    Science.gov (United States)

    Nanayakkara, A. G. A. N.

    Air travel has become one of the main modes of transportation in the modern world with ever increasing demand resulting in the need to expand airports. Further, airports have to undergo alterations as the characteristics of aircraft it is expected to handle, changes with advancements in related technology. Thus, airports evolve over time. A long term strategy is important to ensure efficiency of the airport airside configuration at different stages of its evolution. Establishment of a network of efficient airside configurations connected with possible paths of evolution from one configuration to another could enable airport designers to develop a long term strategy for planned evolution of airports. The objective of this research is to understand and develop the key requisites for establishing such a network. This thesis has initially identified the factors that affect the choice of airside configurations and is followed by an analysis of different classification systems established based on aircraft characteristics and a methodology in categorizing airports considering the aircraft they experience. The thesis includes a detailed analysis of air traffic rules established by regulatory authorities with an explanation on applicability of the rules for different circumstances, and recommendations for situations where current rules are found to be inadequate in terms of safety. This is followed by details on formulation of a network of different runway configurations indicating the possible paths of evolution from one configuration to another. Further, the thesis contains information on impact of the runway layout on the arrangement of passenger terminal buildings and their effect on aircraft taxiing distance. Finally, the thesis provides an explanation on the methodology in evaluating the airside configurations considering the capacity and taxiing distance which are important criteria in determining the efficiency of an airside configuration.

  2. Improving the quotation process with product configuration

    DEFF Research Database (Denmark)

    Hvam, Lars; Christensen, Simon Pape

    2006-01-01

    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...... 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...

  3. 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.

  4. A multireference coupled-cluster potential energy surface of diazomethane, CH.sub.2./sub.N.sub.2./sub

    Czech Academy of Sciences Publication Activity Database

    Kerkines, I. S. K.; Čársky, Petr; Mavridis, A.

    2005-01-01

    Roč. 109, č. 44 (2005), s. 10148-10152. ISSN 1089-5639 R&D Projects: GA MŠk OC D23.001 Grant ostatní: European Community by a Marie Curie Fellowship IHP(XE) HPMT-CT-2000-00022 Institutional research plan: CEZ:AV0Z40400503 Keywords : configuration-interaction * electronic-structure * ground-states * methylene Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.898, year: 2005

  5. 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.

  6. An approach for the development of visual configuration systems

    DEFF Research Database (Denmark)

    Hvam, Lars; Ladeby, Klaes Rohde

    2007-01-01

    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......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...... visualization of the product in the visual configuration system....

  7. 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 positive...... effects in engineering-oriented companies such as reduced lead times, fewer errors, shorter learning periods for new employees, etc. Unfortunately, many configuration projects also fail because the task of developing the configurator turns out to be much more difficult and time-consuming than anticipated...

  8. Control Configuration Selection for Multivariable Descriptor Systems

    DEFF Research Database (Denmark)

    Shaker, Hamid Reza; Stoustrup, Jakob

    2012-01-01

    Control configuration selection is the procedure of choosing the appropriate input and output pairs for the design of SISO (or block) controllers. This step is an important prerequisite for a successful industrial control strategy. In industrial practices it is often the case that the system, which...... 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...

  9. Stability of Dirac sheet configurations

    International Nuclear Information System (INIS)

    Using cooling for SU(2) lattice configurations, purely Abelian constant magnetic-field configurations were left over after the annihilation of constituents that formed metastable Q=0 configurations. These so-called Dirac sheet configurations were found to be stable if emerging from the confined phase, close to the deconfinement phase transition, provided their Polyakov loop was sufficiently nontrivial. Here we show how this is related to the notion of marginal stability of the appropriate constant magnetic-field configurations. We find a perfect agreement between the analytic prediction for the dependence of stability on the value of the Polyakov loop (the holonomy) in a finite volume and the numerical results studied on a finite lattice in the context of the Dirac sheet configurations

  10. Examination of energy price policies in Iran for optimal configuration of CHP and CCHP systems based on particle swarm optimization algorithm

    International Nuclear Information System (INIS)

    The current subsidized energy prices in Iran are proposed to be gradually eliminated over the next few years. The objective of this study is to examine the effects of current and future energy price policies on optimal configuration of combined heat and power (CHP) and combined cooling, heating, and power (CCHP) systems in Iran, under the conditions of selling and not-selling electricity to utility. The particle swarm optimization algorithm is used for minimizing the cost function for owning and operating various CHP and CCHP systems in an industrial dairy unit. The results show that with the estimated future unsubsidized utility prices, CHP and CCHP systems operating with reciprocating engine prime mover have total costs of 5.6 and $2.9x106 over useful life of 20 years, respectively, while both systems have the same capital recovery periods of 1.3 years. However, for the same prime mover and with current subsidized prices, CHP and CCHP systems require 4.9 and 5.2 years for capital recovery, respectively. It is concluded that the current energy price policies hinder the promotion of installing CHP and CCHP systems and, the policy of selling electricity to utility as well as eliminating subsidies are prerequisites to successful widespread utilization of such systems.

  11. Examination of energy price policies in Iran for optimal configuration of CHP and CCHP systems based on particle swarm optimization algorithm

    International Nuclear Information System (INIS)

    The current subsidized energy prices in Iran are proposed to be gradually eliminated over the next few years. The objective of this study is to examine the effects of current and future energy price policies on optimal configuration of combined heat and power (CHP) and combined cooling, heating, and power (CCHP) systems in Iran, under the conditions of selling and not-selling electricity to utility. The particle swarm optimization algorithm is used for minimizing the cost function for owning and operating various CHP and CCHP systems in an industrial dairy unit. The results show that with the estimated future unsubsidized utility prices, CHP and CCHP systems operating with reciprocating engine prime mover have total costs of 5.6 and 2.9 x 106 over useful life of 20 years, respectively, while both systems have the same capital recovery periods of 1.3 years. However, for the same prime mover and with current subsidized prices, CHP and CCHP systems require 4.9 and 5.2 years for capital recovery, respectively. It is concluded that the current energy price policies hinder the promotion of installing CHP and CCHP systems and, the policy of selling electricity to utility as well as eliminating subsidies are prerequisites to successful widespread utilization of such systems. (author)

  12. Examination of energy price policies in Iran for optimal configuration of CHP and CCHP systems based on particle swarm optimization algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Tichi, S.G.; Ardehali, M.M.; Nazari, M.E. [Energy Research Center, Department of Electrical Engineering, Amirkabir University of Technology (Tehran Polytechnic), 424 Hafez Ave., Tehran 15825-4413 (Iran)

    2010-10-15

    The current subsidized energy prices in Iran are proposed to be gradually eliminated over the next few years. The objective of this study is to examine the effects of current and future energy price policies on optimal configuration of combined heat and power (CHP) and combined cooling, heating, and power (CCHP) systems in Iran, under the conditions of selling and not-selling electricity to utility. The particle swarm optimization algorithm is used for minimizing the cost function for owning and operating various CHP and CCHP systems in an industrial dairy unit. The results show that with the estimated future unsubsidized utility prices, CHP and CCHP systems operating with reciprocating engine prime mover have total costs of 5.6 and 2.9 x 10{sup 6} over useful life of 20 years, respectively, while both systems have the same capital recovery periods of 1.3 years. However, for the same prime mover and with current subsidized prices, CHP and CCHP systems require 4.9 and 5.2 years for capital recovery, respectively. It is concluded that the current energy price policies hinder the promotion of installing CHP and CCHP systems and, the policy of selling electricity to utility as well as eliminating subsidies are prerequisites to successful widespread utilization of such systems. (author)

  13. Curvature bounds for configuration spaces

    OpenAIRE

    Erbar, Matthias; Huesmann, Martin

    2014-01-01

    We show that the configuration space over a manifold M inherits many curvature properties of the manifold. For instance, we show that a lower Ricci curvature bound on M implies for the configuration space a lower Ricci curvature bound in the sense of Lott-Sturm-Villani, the Bochner inequality, gradient estimates and Wasserstein contraction. Moreover, we show that the heat flow on the configuration space, or the infinite independent particle process, can be identified as the gradient flow of t...

  14. High Energy Electron Confinement in a Magnetic Cusp Configuration

    OpenAIRE

    Park, Jaeyoung; Krall, Nicholas A.; 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 configur...

  15. 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.

  16. Installation and configuration of Octave computation cluster

    OpenAIRE

    Mikulka, Zdeněk

    2014-01-01

    This diploma thesis contains detailed design of high-performance cluster, primarely focused for parallel computing in Octave application. Each of component of this cluster is described along with instructions for installation and configuration. Cluster is based on GNU/Linux operating system and Message Parsing Interface. Design alllows implementation of this cluster in computers of schoolroom with active lessons.

  17. 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

  18. Space Station reference configuration update

    Science.gov (United States)

    Bonner, Tom F., Jr.

    1985-01-01

    The reference configuration of the NASA Space Station as of November 1985 is presented in a series of diagrams, drawings, graphs, and tables. The configurations for components to be contributed by ESA, Canada, and Japan are included. Brief captions are provided, along with answers to questions raised at the conference.

  19. Reference frame for Product Configuration

    DEFF Research Database (Denmark)

    Ladeby, Klaes Rohde; Oddsson, Gudmundur Valur

    2011-01-01

    This paper presents a reference frame for configuration. The reference frame is established by review of existing literature, and consequently it is a theoretical frame of reference. The review of literature shows a deterioration of the understanding of configuration. Most recent literature reports...

  20. Visible upconversion fiber lasers in ring configuration

    Science.gov (United States)

    Caspary, Reinhard; Baraniecki, Tomasz P.; Kozak, Marcin M.; Kowalsky, Wolfgang

    2005-09-01

    Up-conversion fiber lasers based on Pr3+/Yb3+ doped fluoride fibers and pumped at 835 nm can operate on emission lines in the red, orange, green, and blue spectral region. Up to now only Fabry-Perot configurations with two mirrors butt-coupled to the fiber ends were investigated. In this paper we present the first visible Pr3+/Yb3+ fiber lasers in a ring configuration. In contrast to the usual Fabry-Perot configuration, the basic ring resonator setup contains no free-space optics and no parts which need to be adjusted. The main challenge for such a setup is the connection between the fluoride laser fiber and the remaining part of the ring resonator, which is made from silica fibers. Due to the very different melting temperatures of both glasses usual fusion splices are impossible. We use a special technique to couple the fibers with glue.

  1. Configuration management for nuclear power plants

    International Nuclear Information System (INIS)

    Technical configuration management is more than control of documents, their storage and retrieval, it is an integral part of the plant operation and maintenance process encompassing plant structures, systems, components, computer software and other documents important to safe and reliable operation. The technical configuration management system developed by Framatome, France, for the 900 MW and 1300 MW pressurized water reactor series is explained. It includes a suitable document base, a way of continuously updating documents and ensuring conformity to the requirements and software tools to allow document and modification management. Currently (1988) microfilm is used to give access to the information but electronic storage and direct access by means of an optical disc will be provided. The benefits of configuration management are listed. (UK)

  2. Configurational entropy of Wigner crystals

    CERN Document Server

    Radzvilavičius, Arūnas; 10.1088/0953-8984/23/7/075302

    2012-01-01

    We present a theoretical study of classical Wigner crystals in two- and three-dimensional isotropic parabolic traps aiming at understanding and quantifying the configurational uncertainty due to the presence of multiple stable configurations. Strongly interacting systems of classical charged particles confined in traps are known to form regular structures. The number of distinct arrangements grows very rapidly with the number of particles, many of these arrangements have quite low occurrence probabilities and often the lowest-energy structure is not the most probable one. We perform numerical simulations on systems containing up to 100 particles interacting through Coulomb and Yukawa forces, and show that the total number of metastable configurations is not a well defined and representative quantity. Instead, we propose to rely on the configurational entropy as a robust and objective measure of uncertainty. The configurational entropy can be understood as the logarithm of the effective number of states; it is...

  3. SQUARE AND RHOMBUS CENTRAL CONFIGURATIONS

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    In this paper, we consider the flat central configurations of bodies using the characteristic set method. We completely solve two special cases of four planets, namely,the square and the rhombus. For the square case, we obtain that a square is a central configuration only in the case where the masses are equal and there exactly are two different square central configurations determined by the mass and the angular velocity; for the rhombus case, we obtain that if a rhombus is a central configuration, then the masses of the diagonal vertices must be equal. Furthermore, there are two or three or four different rhombus central configurations determined by the masses and the angular velocity.

  4. Computer Aided Aerodynamic Design of Missile Configuration

    Directory of Open Access Journals (Sweden)

    S. Panneerselvam

    1987-10-01

    Full Text Available Aerodynamic configurations of tactical missiles have to produce the required lateral force with minimum time lag to meet the required manoeuvability and response time. The present design which is mainly based on linearised potential flow involves (a indentification of critical design points, (b design of lifting components and their integration with mutual interference, (c evaluation of aerodynamic characteristics, (d checking its adequacy at otherpoints, (e optimization of parameters and selection of configuration, and (f detailed evaluation including aerodynamic pressure distribution. Iterative design process in involed because of the mutual dependance between aerodynamic charactertistics and the parameters of the configuration. though this design method is based on third level of approximation with respect to real flow, aid of computer is essential for carrying out the iterative design process and also for effective selection of configuration by analysing performance. Futuristic design requirement which demand better accuracy on design and estimation calls for sophisticated super computer based theoretical methods viz. , full Euler solution/Navier-Strokes solutions.

  5. Comparing a thermo-mechanical Weichselian Ice Sheet reconstruction to reconstructions based on the sea level equation: aspects of ice configurations and glacial isostatic adjustment

    OpenAIRE

    Schmidt, P.; Lund, B; Näslund, J-O.; Fastook, J.

    2014-01-01

    In this study we compare a recent reconstruction of the Weichselian Ice Sheet as simulated by the University of Maine ice sheet model (UMISM) to two reconstructions commonly used in glacial isostatic adjustment (GIA) modelling: ICE-5G and ANU (Australian National University, also known as RSES). The UMISM reconstruction is carried out on a regional scale based on thermo-mechanical modelling, whereas ANU and ICE-5G are global models based on the sea level equation. The three ...

  6. Configurationally exhaustive first-principles study of a quaternary superalloy with a vast configuration space

    Science.gov (United States)

    Maisel, S. B.; Höfler, M.; Müller, S.

    2016-07-01

    Exploration of the vast configuration space encountered in a multicomponent alloy is impossible without a suitable engine like the cluster-expansion (CE) method. While a CE ansatz can be formulated for an arbitrary number of components n , the combinatorial explosion of configuration space with increasing n can still be prohibitive. In this paper, we present a configurationally exhaustive study of a four-component nickel-based superalloy. We obtain all ground-state compounds, temperature- and concentration-dependent configurational energies, and micrographs of the γ /γ' microstructure of the γ'-strengthened superalloy Ni-Al-Ta-W. Several phenomena that cannot be studied from the binary building blocks Ni-Al, Ni-W, or Ni-Ta alone are discussed, e.g., the suppression of γ'' formation in Al-Ni-Ta-W, the effect of Ta on the γ' composition, and the tungsten partitioning ratio as a function of both temperature and bulk composition.

  7. Experimental investigation at 10 Gb/s of the noise suppression capabilities in a pass-through configuration in SOA-based interferometric structures

    DEFF Research Database (Denmark)

    Wolfson, David; Fjelde, Tina; Kloch, Allan;

    2000-01-01

    We experimentally investigate a pass-through scheme for all-optical noise suppression in a SOA-based interferometric structure at 10 Gb/s. An input power dynamic range of ~8 dB as well as a noise suppression capability of ~4.5 dB has been demonstrated. Furthermore, the transmission properties have...

  8. 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...... curriculum. It is either not taught at all or is just a minor part of a general course in software engineering. In this paper, we report on our experience with giving a full course entirely dedicated to Software Configuration Management topics and start a discussion of what ideally should be the goal and...

  9. Study on limiting efficiencies of a-Si:H/μc-Si:H-based single-nanowire solar cells under single and tandem junction configurations

    Science.gov (United States)

    Zhai, Xiongfei; Cao, Guoyang; Wu, Shaolong; Shang, Aixue; Li, Xiaofeng

    2015-11-01

    Detailed balance calculations are presented for a-Si:H/μc-Si:H-based single- and tandem-junction single-nanowire solar cells (S- and T-SNSCs). Our study is based on three-dimensional finite-element electromagnetic simulation and thermodynamic balanced analysis, which includes radiative and Auger recombinations simultaneously. We quantify and compare the limiting short-circuit current densities, open-circuit voltages, and light-conversion efficiencies of these highly compact photovoltaic cells, addressing especially the effect of Auger recombination on the open-circuit voltages of SNSCs. Results show that tandem design leads to much higher light-conversion capability than μc-Si:H S-SNSCs, but exhibits superior performance than a-Si:H S-SNSCs only for cells with large radii.

  10. Study on limiting efficiencies of a-Si:H/μc-Si:H-based single-nanowire solar cells under single and tandem junction configurations

    Energy Technology Data Exchange (ETDEWEB)

    Zhai, Xiongfei; Cao, Guoyang; Wu, Shaolong, E-mail: shaolong-wu@suda.edu.cn, E-mail: xfli@suda.edu.cn; Shang, Aixue; Li, Xiaofeng, E-mail: shaolong-wu@suda.edu.cn, E-mail: xfli@suda.edu.cn [College of Physics, Optoelectronics and Energy & Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University, Suzhou 215006 (China); Key Lab of Advanced Optical Manufacturing Technologies of Jiangsu Province and Key Lab of Modern Optical Technologies of Education Ministry of China, Soochow University, Suzhou 215006 (China)

    2015-11-02

    Detailed balance calculations are presented for a-Si:H/μc-Si:H-based single- and tandem-junction single-nanowire solar cells (S- and T-SNSCs). Our study is based on three-dimensional finite-element electromagnetic simulation and thermodynamic balanced analysis, which includes radiative and Auger recombinations simultaneously. We quantify and compare the limiting short-circuit current densities, open-circuit voltages, and light-conversion efficiencies of these highly compact photovoltaic cells, addressing especially the effect of Auger recombination on the open-circuit voltages of SNSCs. Results show that tandem design leads to much higher light-conversion capability than μc-Si:H S-SNSCs, but exhibits superior performance than a-Si:H S-SNSCs only for cells with large radii.

  11. Implementation of the multireference Brillouin-Wigner and Mukherjee’s coupled cluster methods with non-iterative triple excitations utilizing reference-level parallelism

    Energy Technology Data Exchange (ETDEWEB)

    Bhaskaran-Nair, Kiran; Brabec, Jiri; Apra, Edoardo; van Dam, Hubertus JJ; Pittner, Jiri; Kowalski, Karol

    2012-09-07

    In this paper we discuss the performance of the non-iterative State-Specific Mul- tireference Coupled Cluster (SS-MRCC) methods accounting for the effect of triply excited cluster amplitudes. The corrections to the Brillouin-Wigner and Mukherjee MRCC models based on the manifold of singly and doubly excited cluster amplitudes (BW-MRCCSD and Mk-MRCCSD, respectively) are tested and compared with the exact full configuration interaction results (FCI) for small systems (H2O, N2, and Be3). For larger systems (naphthyne isomers and -carotene), the non-iterative BW-MRCCSD(T) and Mk-MRCCSD(T) methods are compared against the results obtained with the single reference coupled cluster methods. We also report on the parallel performance of the non-iterative implementations based on the use of pro- cessor groups.

  12. Belene NPP project configuration management

    International Nuclear Information System (INIS)

    The configuration management includes: change identification; change assessment; change coordination; change approval or rejection; Change introduction. One of the main tasks while implementing the above processes is the analysis of the effect of one change upon all the related elements

  13. 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.

  14. 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 ...

  15. Configurational entropy of native proteins.

    OpenAIRE

    Karplus, M.; Ichiye, T; Pettitt, B. M.

    1987-01-01

    Simulations of the residual configurational entropy of a protein in the native state suggest that it is nearly an order of magnitude larger than the entropy of denaturation. The implications of this result are discussed.

  16. High-level system configuration

    OpenAIRE

    Delaet, Thomas; Joosen, Wouter

    2008-01-01

    The high rate of requirement changes make system administration a complex task. This complexity is further influenced by the increasing scale, unpredictable behaviour of software and diversity in terms of hardware and software. In order to deal with this complexity, system configuration tools have been proposed. The processes that many system configuration tools advocate are kept close to manual system administration. We feel that this approach has failed to address the complexity of system a...

  17. Space Station reference configuration description

    Science.gov (United States)

    1984-01-01

    The data generated by the Space Station Program Skunk Works over a period of 4 months which supports the definition of a Space Station reference configuration is documented. The data were generated to meet these objectives: (1) provide a focal point for the definition and assessment of program requirements; (2) establish a basis for estimating program cost; and (3) define a reference configuration in sufficient detail to allow its inclusion in the definition phase Request for Proposal (RFP).

  18. 基于小波包分解的风电混合储能容量配置方法%Wind power hybrid energy storage capacity configuration based on wavelet packet decomposition

    Institute of Scientific and Technical Information of China (English)

    卢芸; 徐骏

    2016-01-01

    This paper sets up a method of hybrid energy storage capacity configuration based on wavelet packet decomposition. Wind power is firstly decomposed into low frequency section and high frequency section by wavelet packet decomposition, and using low frequency section as the target of grid-connected power while high frequency section is divided into medium-high and highest on the base of the complementary property of battery and super-capacitor. Besides, the method of Gaussian approximation is adopted to fit the probability density function so that the capacity configuration of energy storage system can be calculated finally. The hybrid energy storage system simulation model is set up based on Matlab/Simulink. So the effectiveness of the capacity configuration can be verified by the fluctuation range and the state of charge (SOC) of energy storage system.%提出了一种基于小波包分解的风电混合储能容量配置方法。该方法对风电输出功率进行小波包分解,将其分解为低频部分和高频部分,采用低频部分作为并网目标功率,根据蓄电池和超级电容器的互补特性,分别用其平抑次高频部分和最高频部分。通过高斯逼近法拟合波动功率的概率密度函数,进而得出混合储能系统的容量。在 Matlab/Simulink 平台上搭建混合储能系统仿真模型。通过风电并网点输出功率的平滑程度以及混合储能系统荷电状态波动范围的分析,验证了该容量配置的有效性。

  19. 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.

  20. Dynamic configuration of the CMS Data Acquisition cluster

    CERN Document Server

    Bauer, Gerry; Biery, Kurt; Boyer, Vincent; Branson, James; Cano, Eric; Cheung, Harry; Ciganek, Marek; Cittolin, Sergio; Coarasa, Jose Antonio; Deldicque, Christian; Dusinberre, Elizabeth; Erhan, Samim; Fortes Rodrigues, Fabiana; Gigi, Dominique; Glege, Frank; Gomez-Reino, Robert; Gutleber, Johannes; Hatton, Derek; Laurens, Jean-Francois; Lopez Perez, Juan Antonio; Meijers, Frans; Meschi, Emilio; Meyer, Andreas; Mommsen, Remigius K; Moser, Roland; O'Dell, Vivian; Oh, Alexander; Orsini, Luciano; Patras, Vaios; Paus, Christoph; Petrucci, Andrea; Pieri, Marco; Racz, Attila; Sakulin, Hannes; Sani, Matteo; Schieferdecker, Philipp; Schwick, Christoph; Shpakov, Dennis; Simon, Sean; Sumorok, Konstanty; Zanetti, Marco

    2010-01-01

    The CMS Data Acquisition cluster, which runs around 10000 applications, is configured dynamically at run time. XML configuration documents determine what applications are executed on each node and over what networks these applications communicate. Through this mechanism the DAQ System may be adapted to the required performance, partitioned in order to perform (test-) runs in parallel, or re-structured in case of hardware faults. This paper presents the CMS DAQ Configurator tool, which is used to generate comprehensive configurations of the CMS DAQ system based on a high-level description given by the user. Using a database of configuration templates and a database containing a detailed model of hardware modules, data and control links, nodes and the network topology, the tool automatically determines which applications are needed, on which nodes they should run, and over which networks the event traffic will flow. The tool computes application parameters and generates the XML configuration documents as well a...

  1. Configuration of water resources for a typical river basin in an arid region of China based on the ecological water requirements (EWRs) of desert riparian vegetation

    Science.gov (United States)

    Ling, Hongbo; Guo, Bin; Xu, Hailiang; Fu, Jinyi

    2014-11-01

    Desert riparian vegetation is a natural cover promoting the stability and development of inland river ecosystems in arid regions. Calculating the ecological water requirements (EWRs) of desert riparian vegetation is an important step in achieving reasonable water utilization. Therefore, this study examined the Tarim River, located in an extremely arid region of China, and collected relevant data on hydrology, weather and vegetation using remote sensing. Subsequently, we analyzed the spatial distribution of the desert riparian vegetation in four sections of the Tarim River and calculated the EWR of the desert riparian vegetation using the phreatic evaporation model; additionally, we determined the required runoffs at five hydrologic stations based on the water balance principle. Ultimately, the necessary protection ranges and goals for desert riparian vegetation were established according to the water resource variations in the Tarim River. Our research showed that the total area of desert riparian vegetation along the Tarim River is 16,285.3 km2; this distribution area gradually decreased as the distance from the river increased, and areas varied in the different river sections. The EWRs of desert riparian vegetation from Sections 1 to 5 are 5.698 × 108, 7.585 × 108, 4.900 × 108, 4.101 × 108 m3 and 1.078 × 108 m3, respectively. Therefore, the total EWR of the study region is 23.362 × 108 m3. In terms of the transpiration law of the "unimodal type", the peak value of EWR of natural vegetation occurs in July, and the decreasing trend appears in the other months. Based on the water balance principle, the required runoffs in Alar, Xinquman, Yingbaza, Wusiman and Qiala were determined to be 47.105 × 108, 35.174 × 108, 22.734 × 108, 15.775 × 108 and 7.707 × 108 m3, respectively. According to the water resource frequency and the EWR of the desert riparian vegetation along the Tarim River, we divided the region into three protection ranges: key protection (8

  2. DICOM supported sofware configuration by XML files

    International Nuclear Information System (INIS)

    A method for the configuration of informatics systems that provide support to DICOM standards using XML files is proposed. The difference with other proposals is base on that this system does not code the information of a DICOM objects file, but codes the standard itself in an XML file. The development itself is the format for the XML files mentioned, in order that they can support what DICOM normalizes for multiple languages. In this way, the same configuration file (or files) can be use in different systems. Jointly the XML configuration file generated, we wrote also a set of CSS and XSL files. So the same file can be visualized in a standard browser, as a query system of DICOM standard, emerging use, that did not was a main objective but brings a great utility and versatility. We exposed also some uses examples of the configuration file mainly in relation with the load of DICOM information objects. Finally, at the conclusions we show the utility that the system has already provided when the edition of DICOM standard changes from 2006 to 2007

  3. Customized warranty offering for configurable products

    International Nuclear Information System (INIS)

    Although configurable products have been common in the market, buyers often receive standard warranty offerings rather than customized ones from manufacturers. In this study, a reliability based method is proposed to specify warranties for certain product configuration schemes. A continuous time Markov model is adopted to measure the vulnerabilities of components involved in configuration. Then the warranty claim probability of a product with multiple components is calculated, and the warranty costs in varied warranty periods are estimated. Under a minimal repair warranty in which only failed components are replaced free of charge, warranty plans can be customized for different configuration schemes on the basis of warranty costs. Next, an example of laptop computer is introduced to illustrate the procedure and effectiveness of the proposed method. Impacts of operating frequency and operating time of products on warranty costs are also measured. In addition, some recommendations are provided in order to deal with issues of replacement policy, pro-rata rebate warranty (PRW) and compatibility between components

  4. 47 CFR 22.923 - Cellular system configuration.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 2 2010-10-01 2010-10-01 false Cellular system configuration. 22.923 Section... MOBILE SERVICES Cellular Radiotelephone Service § 22.923 Cellular system configuration. Mobile stations... directly or through cellular repeaters. Auxiliary test stations may communicate with base or...

  5. 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.

  6. Configuration performance predication method of product family based on hierarchical support vector machine%基于递阶支持向量机的产品族配置性能预测

    Institute of Scientific and Technical Information of China (English)

    崔文华; 刘晓冰; 王伟; 王介生

    2013-01-01

    To predict the configuration performances of modular product family design accurately and quickly for judging whether to meet the diverse customer demand,a configuration performance prediction method of modular product family based on Hierarchical Support Vector Machine (H-SVM) was proposed.The new variant product performances were predicted through the data mining on the history database of typical product in the product family.The framework and basic procedure of configuration comprehensive performance prediction method based on H-SVM was introduced.An improved Shuffled Frog Leaping Algorithm (SFLA) was adopted to optimize the kernel function parameters and error penalty factors of SVM models,where the simulated annealing algorithm was used to increase local searching ability and convergence velocity.The method was verified on a developed modular paper currency sorter product family to assess the effectiveness of the proposed method.%为了准确而快速地对模块化产品族的配置性能进行预测,以判断其是否满足多样化的客户需求,提出了基于递阶支持向量机的模块化产品族配置性能预测方法.新配置产品性能通过对产品族中的典型产品历史数据库进行数据挖掘进行预测.介绍了基于递阶支持向量机的配置综合性能预测方法的预测框架和基本步骤,并提出一种改进混合蛙跳算法来优化支持向量化模型的核函数参数和误差惩罚因子,模拟退火算法用来提高算法的局部搜索能力和收敛速度.以某模块化设计的纸币清分机产品族为例,验证了所提评估策略的有效性.

  7. Domain configuration changes under electric field-induced antiferroelectric-ferroelectric phase transitions in NaNbO3-based ceramics

    International Nuclear Information System (INIS)

    We recently developed a feasible crystal chemistry strategy to stabilize the antiferroelectricity in NaNbO3 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)NaNbO3-xCaZrO3 and (1-x)NaNbO3-xSrZrO3, 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)NaNbO3-xCaZrO3 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 CaZrO3 substitution into NaNbO3 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 NaNbO3-based systems

  8. 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.

  9. Bethe's quantum numbers and rigged configurations

    OpenAIRE

    Kirillov, Anatol N.; Sakamoto, Reiho

    2016-01-01

    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).

  10. Improvement of Mooring Configurations in Geraldton Harbour

    OpenAIRE

    Wim van der Molen; Doug Scott; David Taylor; Trevor Elliott

    2015-01-01

    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 soft...

  11. Generation Favorable Institutional Configuration Regional Business Environment

    OpenAIRE

    Natalia Zinovievna Solodilova; Rustam Ilkamovich Malikov; Konstantin Yevgenevich Grishin

    2014-01-01

    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. Sta...

  12. A logic approach to configuration in ADA

    OpenAIRE

    Asirelli, Patrizia; Inverardi, Paola

    1985-01-01

    This paper presents a new application of logic programming in the area of integrated programming environments for algorithmic languages. Integrated programming environments are based upon the existence of a project database which is the repository of all information relevant to programming project throughout the life cycle of the project. In particular, modules management (configuration), is a typical activity which requires relationships among objects to be handled. The paper addresses the a...

  13. Computer Aided Aerodynamic Design of Missile Configuration

    OpenAIRE

    Panneerselvam, S; P. Theerthamalai; A.K. Sarkar

    1987-01-01

    Aerodynamic configurations of tactical missiles have to produce the required lateral force with minimum time lag to meet the required manoeuvability and response time. The present design which is mainly based on linearised potential flow involves (a) indentification of critical design points, (b) design of lifting components and their integration with mutual interference, (c) evaluation of aerodynamic characteristics, (d) checking its adequacy at otherpoints, (e) optimization of parameters an...

  14. 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).

  15. Comparative ab initio studies on the molecular structure and spectroscopic properties of FeF2: Single reference versus multireference methods.

    Science.gov (United States)

    Solomonik, Victor G; Stanton, John F; Boggs, James E

    2008-06-28

    The electronic excitation energies, molecular geometry, quadratic force fields, and vibrational frequencies in the ground (5)Delta(g) and low-lying excited (5)Sigma(g) (+) and (5)Pi(g) electronic states of iron difluoride are studied at sophisticated levels of theory. Two families of basis sets, nonrelativistic and Douglas-Kroll-Hess relativistic, are used that range in quality from triple-zeta to quintuple-zeta. These are augmented by additional diffuse functions (on fluorine atoms) and tight functions (on all atoms) for the description of core-valence correlation and utilized to determine complete basis set molecular properties. The quality of electron correlation treatment using conventional single reference coupled cluster methods CCSD and CCSD(T) is compared to that attained at the multiconfigurational quasidegenerate second-order perturbation theory (CASSCF+MCQDPT2) and the electron attachment equation-of-motion coupled cluster (EOMEA-CCSD) levels. Spin-orbit coupling effects are studied by the SO-MCQDPT2 method using the full Breit-Pauli spin-orbit operator. Effects of spin contamination in the coupled cluster molecular calculations are carefully analyzed. Results of the single reference CCSD(T) and multireference calculations are found to be in a remarkable agreement. The calculations indicate that the EOMEA-CC approach provides a suitable tool for an accurate treatment of FeF(2) and other systems where delicate electron correlation effects have to be carefully dealt with. The inclusion of relativistic effects is shown to be necessary for an accurate description of the molecular geometry and excitation energies of FeF(2). The results of calculations are in good agreement with the experimental data available. The predicted FeF(2) molecular properties are compared to those of the related FeF(3). PMID:18601314

  16. Solar hydrogen system configuration using genetic algorithms

    International Nuclear Information System (INIS)

    For standalone power supply systems based on solar hydrogen technology to work efficiently, the photovoltaic generator and electrolyse stack have to be configured so that they produce the needed amount of hydrogen in order for the fuel cell to produce sufficient power to operate the load. This paper discusses how genetic algorithms were applied to optimise the design of the photovoltaic generator and electrolyser combination by searching for the best configuration in terms of number of parallel and series PV modules, number of electrolyser cells, and cell surface area. First, a mathematical simulation model based on the current-voltage PV characteristics and the polarisation characteristics of the electrolyser was developed. The models parameters were obtained by fitting the mathematical models to experimental data. A genetic code was then developed. The code id based on the PV and electrolyser models as an evaluation measures for the fitness of the solutions generated. Results are presented confirming the effectiveness of using the genetic algorithms technique for solar hydrogen system configuration.(author)

  17. BAYESIAN IMAGE RESTORATION, USING CONFIGURATIONS

    Directory of Open Access Journals (Sweden)

    Thordis Linda Thorarinsdottir

    2011-05-01

    Full Text Available In this paper, we develop a Bayesian procedure for removing noise from images that can be viewed as noisy realisations of random sets in the plane. The procedure utilises recent advances in configuration theory for noise free random sets, where the probabilities of observing the different boundary 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 in detail for 3 X 3 and 5 X 5 configurations and examples of the performance of the procedure are given.

  18. 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...

  19. Singlet and triplet excited states and intersystem crossing in free-base porphyrin: TDDFT and DFT/MRCI study.

    Science.gov (United States)

    Perun, Serhiy; Tatchen, Jörg; Marian, Christel M

    2008-02-01

    Extensive time-dependent DFT (TDDFT) and DFT/multireference configuration interaction (MRCI) calculations are performed on the singlet and triplet excited states of free-base porphyrin, with emphasis on intersystem crossing processes. The equilibrium geometries, as well as the vertical and adiabatic excitation energies of the lowest singlet and triplet excited states are determined. Single and double proton-transfer reactions in the first excited singlet state are explored. Harmonic vibrational frequencies are calculated at the equilibrium geometries of the ground state and of the lowest singlet and triplet excited states. Furthermore, spin-orbit coupling matrix elements of the lowest singlet and triplet states and their numerical derivatives with respect to nuclear displacements are computed. It is shown that opening of an unprotonated pyrrole ring as well as excited-state single and double proton transfer inside the porphyrin cavity lead to crossings of the potential energy curves of the lowest singlet and triplet excited states. It is also found that displacements along out-of-plane normal modes of the first excited singlet state cause a significant increase of the , , and spin-orbit coupling matrix elements. These phenomena lead to efficient radiationless deactivation of the lowest excited states of free-base porphyrin via intercombination conversion. In particular, the S1-->T1 population transfer is found to proceed at a rate of approximately 10(7) s(-1) in the isolated molecule. PMID:18189251

  20. 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.

  1. Tearing mode in RFP configurations

    International Nuclear Information System (INIS)

    The tearing mode appearing in RFP configurations is studied both by numerical solution of the exact eigenequations and by using Δ'theory. Systematic parameter studies for force free configurations have been carried out. We find that Δ'theory is a good approximation only when β=0. In general, the growth rate is sensitive to the β value and 3/5 Δ' scaling no longer applies for finite beta. For typical experimental beta values we find that the tearing mode is always unstable within the parametri- zation considered. 17 figs

  2. 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,

  3. Configurable silicon photonic crystal waveguides

    International Nuclear Information System (INIS)

    In this Letter, we demonstrate that the mode cut off of a photonic crystal waveguide can be trimmed with high accuracy by electron beam bleaching of a chromophore doped polymer cladding. Using this method, configurable waveguides are realized, which allow for spatially resolved changes of the photonic crystal's effective lattice constant as small as 7.6 pm. We show three different examples how to take advantage of configurable photonic crystal waveguides: Shifting of the complete transmission spectrum, definition of cavities with high quality factor, and tuning of existing cavities

  4. Topological complexity of configuration spaces

    OpenAIRE

    Farber, Michael; Grant, Mark

    2008-01-01

    The topological complexity TC(X) is a homotopy invariant which reflects the complexity of the problem of constructing a motion planning algorithm in the space X, viewed as configuration space of a mechanical system. In this paper we complete the computation of the topological complexity of the configuration space of n distinct points in Euclidean m-space for all m>1$ and n>1; the answer was previously known in the cases m=2 and m odd. We also give several useful general results concerning sha...

  5. Configuration spaces with summable labels

    OpenAIRE

    Salvatore, Paolo

    1999-01-01

    Let M be an n-manifold, and let A be a space with a partial sum behaving as an n-fold loop sum. We define the space C(M;A) of configurations in M with summable labels in A via operad theory. Some examples are symmetric products, labelled configuration spaces, and spaces of rational curves. We show that C(I^n,dI^n;A) is an n-fold delooping of C(I^n;A), and for n=1 it is the classifying space by Stasheff. If M is compact, parallelizable, and A is path connected, then C(M;A) is homotopic to the ...

  6. Model Counting in Product Configuration

    CERN Document Server

    Kübler, Andreas; Küchlin, Wolfgang; 10.4204/EPTCS.29.5

    2010-01-01

    We describe how to use propositional model counting for a quantitative analysis of product configuration data. Our approach computes valuable meta information such as the total number of valid configurations or the relative frequency of components. This information can be used to assess the severity of documentation errors or to measure documentation quality. As an application example we show how we apply these methods to product documentation formulas of the Mercedes-Benz line of vehicles. In order to process these large formulas we developed and implemented a new model counter for non-CNF formulas. Our model counter can process formulas, whose CNF representations could not be processed up till now.

  7. Dynamic configuration of the CMS Data Acquisition cluster

    International Nuclear Information System (INIS)

    The CMS Data Acquisition cluster, which runs around 10000 applications, is configured dynamically at run time. XML configuration documents determine what applications are executed on each node and over what networks these applications communicate. Through this mechanism the DAQ System may be adapted to the required performance, partitioned in order to perform (test-) runs in parallel, or re-structured in case of hardware faults. This paper presents the configuration procedure and the CMS DAQ Configurator tool, which is used to generate comprehensive configurations of the CMS DAQ system based on a high-level description given by the user. Using a database of configuration templates and a database containing a detailed model of hardware modules, data and control links, nodes and the network topology, the tool automatically determines which applications are needed, on which nodes they should run, and over which networks the event traffic will flow. The tool computes application parameters and generates the XML configuration documents and the configuration of the run-control system. The performance of the configuration procedure and the tool as well as operational experience during CMS commissioning and the first LHC runs are discussed.

  8. Dynamic configuration of the CMS Data Acquisition cluster

    Science.gov (United States)

    Bauer, G.; Behrens, U.; Biery, K.; Boyer, V.; Branson, J.; Cano, E.; Cheung, H.; Ciganek, M.; Cittolin, S.; Coarasa, J. A.; Deldicque, C.; Dusinberre, E.; Erhan, S.; Fortes Rodrigues, F.; Gigi, D.; Glege, F.; Gomez-Reino, R.; Gutleber, J.; Hatton, D.; Laurens, J. F.; Lopez Perez, J. A.; Meijers, F.; Meschi, E.; Meyer, A.; Mommsen, R. K.; Moser, R.; O'Dell, V.; Oh, A.; Orsini, L. B.; Patras, V.; Paus, C.; Petrucci, A.; Pieri, M.; Racz, A.; Sakulin, H.; Sani, M.; Schieferdecker, P.; Schwick, C.; Shpakov, D.; Simon, S.; Sumorok, K.; Zanetti, M.

    2010-04-01

    The CMS Data Acquisition cluster, which runs around 10000 applications, is configured dynamically at run time. XML configuration documents determine what applications are executed on each node and over what networks these applications communicate. Through this mechanism the DAQ System may be adapted to the required performance, partitioned in order to perform (test-) runs in parallel, or re-structured in case of hardware faults. This paper presents the configuration procedure and the CMS DAQ Configurator tool, which is used to generate comprehensive configurations of the CMS DAQ system based on a high-level description given by the user. Using a database of configuration templates and a database containing a detailed model of hardware modules, data and control links, nodes and the network topology, the tool automatically determines which applications are needed, on which nodes they should run, and over which networks the event traffic will flow. The tool computes application parameters and generates the XML configuration documents and the configuration of the run-control system. The performance of the configuration procedure and the tool as well as operational experience during CMS commissioning and the first LHC runs are discussed.

  9. 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.

  10. Study of piping configurations. [LMFBR

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Y.; Rafer, A.; Ahmed, H.

    1980-01-01

    A study of piping and elbow flexibility is performed using an analytical approach and piping analysis computer programs ADLPIPE and MARC. The study focuses on pipe loop configurations commonly used to accommodate thermal expansion in such applications as Liquid Metal Fast Breeder Reactors.

  11. 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...

  12. 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...

  13. Cancer, Finitude and Life Configuration

    Czech Academy of Sciences Publication Activity Database

    Chrz, Vladimír; Čermák, Ivo; Plachá, V.

    Huddersfield : University of Huddersfield Press, 2006, s. 149-158. ISBN 1 86218 051 2. [Narrative, memeory and knowledge : Representations, Aesthetics and Contexts. Huddersfield (GB), 09.04.2005] Institutional research plan: CEZ:AV0Z70250504 Keywords : narrative understanding * narrative configuration * genres of life stories Subject RIV: AN - Psychology

  14. Inversion and Configuration of Faces.

    Science.gov (United States)

    Bartlett, James C.; Searcy, Jean

    1993-01-01

    The Thatcher illusion, in which the inverted mouth and eyes of a face appear grotesque when upright, but not when the whole configuration is inverted, was studied in 3 experiments involving 89 undergraduates. Results suggest that the illusion represents a disruption of encoding of holistic information when faces are inverted. (SLD)

  15. 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

  16. 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...

  17. 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 in...

  18. Double micropipettes configuration method of scanning ion conductance microscopy

    Science.gov (United States)

    Zhuang, Jian; Li, Zeqing; Jiao, Yangbohan

    2016-07-01

    In this paper, a new double micropipettes configuration mode of scanning ion conductance microscopy (SICM) is presented to better overcome ionic current drift and further improve the performance of SICM, which is based on a balance bridge circuit. The article verifies the feasibility of this new configuration mode from theoretical and experimental analyses, respectively, and compares the quality of scanning images in the conventional single micropipette configuration mode and the new double micropipettes configuration mode. The experimental results show that the double micropipettes configuration mode of SICM has better effect on restraining ionic current drift and better performance of imaging. Therefore, this article not only proposes a new direction of overcoming the ionic current drift but also develops a new method of SICM stable imaging.

  19. 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 ...

  20. 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