WorldWideScience

Sample records for source-receptor matrix calculation

  1. Source-receptor matrix calculation with a Lagrangian particle dispersion model in backward mode

    Directory of Open Access Journals (Sweden)

    P. Seibert

    2004-01-01

    Full Text Available The possibility to calculate linear-source receptor relationships for the transport of atmospheric trace substances with a Lagrangian particle dispersion model (LPDM running in backward mode is shown and presented with many tests and examples. This mode requires only minor modifications of the forward LPDM. The derivation includes the action of sources and of any first-order processes (transformation with prescribed rates, dry and wet deposition, radioactive decay, etc.. The backward mode is computationally advantageous if the number of receptors is less than the number of sources considered. The combination of an LPDM with the backward (adjoint methodology is especially attractive for the application to point measurements, which can be handled without artificial numerical diffusion. Practical hints are provided for source-receptor calculations with different settings, both in forward and backward mode. The equivalence of forward and backward calculations is shown in simple tests for release and sampling of particles, pure wet deposition, pure convective redistribution and realistic transport over a short distance. Furthermore, an application example explaining measurements of Cs-137 in Stockholm as transport from areas contaminated heavily in the Chernobyl disaster is included.

  2. Operational source receptor calculations for large agglomerations

    Science.gov (United States)

    Gauss, Michael; Shamsudheen, Semeena V.; Valdebenito, Alvaro; Pommier, Matthieu; Schulz, Michael

    2016-04-01

    For Air quality policy an important question is how much of the air pollution within an urbanized region can be attributed to local sources and how much of it is imported through long-range transport. This is critical information for a correct assessment of the effectiveness of potential emission measures. The ratio between indigenous and long-range transported air pollution for a given region depends on its geographic location, the size of its area, the strength and spatial distribution of emission sources, the time of the year, but also - very strongly - on the current meteorological conditions, which change from day to day and thus make it important to provide such calculations in near-real-time to support short-term legislation. Similarly, long-term analysis over longer periods (e.g. one year), or of specific air quality episodes in the past, can help to scientifically underpin multi-regional agreements and long-term legislation. Within the European MACC projects (Monitoring Atmospheric Composition and Climate) and the transition to the operational CAMS service (Copernicus Atmosphere Monitoring Service) the computationally efficient EMEP MSC-W air quality model has been applied with detailed emission data, comprehensive calculations of chemistry and microphysics, driven by high quality meteorological forecast data (up to 96-hour forecasts), to provide source-receptor calculations on a regular basis in forecast mode. In its current state, the product allows the user to choose among different regions and regulatory pollutants (e.g. ozone and PM) to assess the effectiveness of fictive emission reductions in air pollutant emissions that are implemented immediately, either within the agglomeration or outside. The effects are visualized as bar charts, showing resulting changes in air pollution levels within the agglomeration as a function of time (hourly resolution, 0 to 4 days into the future). The bar charts not only allow assessing the effects of emission

  3. Numericware i: Identical by State Matrix Calculator

    Directory of Open Access Journals (Sweden)

    Bongsong Kim

    2017-02-01

    Full Text Available We introduce software, Numericware i, to compute identical by state (IBS matrix based on genotypic data. Calculating an IBS matrix with a large dataset requires large computer memory and takes lengthy processing time. Numericware i addresses these challenges with 2 algorithmic methods: multithreading and forward chopping. The multithreading allows computational routines to concurrently run on multiple central processing unit (CPU processors. The forward chopping addresses memory limitation by dividing a dataset into appropriately sized subsets. Numericware i allows calculation of the IBS matrix for a large genotypic dataset using a laptop or a desktop computer. For comparison with different software, we calculated genetic relationship matrices using Numericware i, SPAGeDi, and TASSEL with the same genotypic dataset. Numericware i calculates IBS coefficients between 0 and 2, whereas SPAGeDi and TASSEL produce different ranges of values including negative values. The Pearson correlation coefficient between the matrices from Numericware i and TASSEL was high at .9972, whereas SPAGeDi showed low correlation with Numericware i (.0505 and TASSEL (.0587. With a high-dimensional dataset of 500 entities by 10 000 000 SNPs, Numericware i spent 382 minutes using 19 CPU threads and 64 GB memory by dividing the dataset into 3 pieces, whereas SPAGeDi and TASSEL failed with the same dataset. Numericware i is freely available for Windows and Linux under CC-BY 4.0 license at https://figshare.com/s/f100f33a8857131eb2db .

  4. Matrix model calculations beyond the spherical limit

    International Nuclear Information System (INIS)

    Ambjoern, J.; Chekhov, L.; Kristjansen, C.F.; Makeenko, Yu.

    1993-01-01

    We propose an improved iterative scheme for calculating higher genus contributions to the multi-loop (or multi-point) correlators and the partition function of the hermitian one matrix model. We present explicit results up to genus two. We develop a version which gives directly the result in the double scaling limit and present explicit results up to genus four. Using the latter version we prove that the hermitian and the complex matrix model are equivalent in the double scaling limit and that in this limit they are both equivalent to the Kontsevich model. We discuss how our results away from the double scaling limit are related to the structure of moduli space. (orig.)

  5. A J matrix engine for density functional theory calculations

    International Nuclear Information System (INIS)

    White, C.A.; Head-Gordon, M.

    1996-01-01

    We introduce a new method for the formation of the J matrix (Coulomb interaction matrix) within a basis of Cartesian Gaussian functions, as needed in density functional theory and Hartree endash Fock calculations. By summing the density matrix into the underlying Gaussian integral formulas, we have developed a J matrix open-quote open-quote engine close-quote close-quote which forms the exact J matrix without explicitly forming the full set of two electron integral intermediates. Several precomputable quantities have been identified, substantially reducing the number of floating point operations and memory accesses needed in a J matrix calculation. Initial timings indicate a speedup of greater than four times for the (pp parallel pp) class of integrals with speedups increasing to over ten times for (ff parallel ff) integrals. copyright 1996 American Institute of Physics

  6. Direct calculation of off-diagonal matrix elements

    International Nuclear Information System (INIS)

    Killingbeck, J P; Jolicard, G

    2011-01-01

    Gauss elimination is used in a sequence of calculations which give the squares of the off-diagonal matrix elements of x between quartic oscillator eigenstates, in a modification of the original sum rule approach of Tipping et al to the problem. New and more flexible methods are then devised and tested and are shown to permit the isolation and calculation of individual squared matrix elements of x and x 2 .

  7. Massively parallel sparse matrix function calculations with NTPoly

    Science.gov (United States)

    Dawson, William; Nakajima, Takahito

    2018-04-01

    We present NTPoly, a massively parallel library for computing the functions of sparse, symmetric matrices. The theory of matrix functions is a well developed framework with a wide range of applications including differential equations, graph theory, and electronic structure calculations. One particularly important application area is diagonalization free methods in quantum chemistry. When the input and output of the matrix function are sparse, methods based on polynomial expansions can be used to compute matrix functions in linear time. We present a library based on these methods that can compute a variety of matrix functions. Distributed memory parallelization is based on a communication avoiding sparse matrix multiplication algorithm. OpenMP task parallellization is utilized to implement hybrid parallelization. We describe NTPoly's interface and show how it can be integrated with programs written in many different programming languages. We demonstrate the merits of NTPoly by performing large scale calculations on the K computer.

  8. Convergent j-matrix calculation of electron-helium resonances

    International Nuclear Information System (INIS)

    Konovalov, D.A.; McCarthy, I.E.

    1994-12-01

    Resonance structures in n=2 and n=3 electron-helium excitation cross sections are calculated using the J-matrix method. The number of close-coupled helium bound and continuum states is taken to convergence, e.g. about 100 channels are coupled for each total spin and angular momentum. It is found that the present J-matrix results are in good shape agreement with recent 29-state R-matrix calculations. However the J-matrix absolute cross sections are slightly lower due to the influence of continuum channels included in the present method. Experiment and theory agree on the positions of n=2 and n=3 resonances. 22 refs., 1 tab.; 3 figs

  9. R-matrix calculations for few-quark bound states

    International Nuclear Information System (INIS)

    Shalchi, M.A.; Hadizadeh, M.R.

    2016-01-01

    The R-matrix method is implemented to study the heavy charm and bottom diquark, triquark, tetraquark, and pentaquarks in configuration space, as the bound states of quark-antiquark, diquark-quark, diquark-antidiquark, and diquark-antitriquark systems, respectively. The mass spectrum and the size of these systems are calculated for different partial wave channels. The calculated masses are compared with recent theoretical results obtained by other methods in momentum and configuration spaces and also by available experimental data. (orig.)

  10. Hardware matrix multiplier/accumulator for lattice gauge theory calculations

    International Nuclear Information System (INIS)

    Christ, N.H.; Terrano, A.E.

    1984-01-01

    The design and operating characteristics of a special-purpose matrix multiplier/accumulator are described. The device is connected through a standard interface to a host PDP11 computer. It provides a set of high-speed, matrix-oriented instructions which can be called from a program running on the host. The resulting operations accelerate the complex matrix arithmetic required for a class of Monte Carlo calculations currently of interest in high energy particle physics. A working version of the device is presently being used to carry out a pure SU(3) lattice gauge theory calculation using a PDP11/23 with a performance twice that obtainable on a VAX11/780. (orig.)

  11. Calculations of hadronic weak matrix elements: A status report

    International Nuclear Information System (INIS)

    Sharpe, S.R.

    1988-01-01

    I review the calculations of hadronic matrix elements of the weak Hamiltonian. My major emphasis is on lattice calculations. I discuss the application to weak decay constants (f/sub K/, f/sub D/, f/sub B/), K 0 /minus/ /bar K/sup 0// and B 0 /minus/ /bar B/sup 0// mixing, K → ππ decays, and the CP violation parameters ε and ε'. I close with speculations on future progress. 57 refs., 4 figs., 2 tabs

  12. Weighted Geometric Dilution of Precision Calculations with Matrix Multiplication

    Directory of Open Access Journals (Sweden)

    Chien-Sheng Chen

    2015-01-01

    Full Text Available To enhance the performance of location estimation in wireless positioning systems, the geometric dilution of precision (GDOP is widely used as a criterion for selecting measurement units. Since GDOP represents the geometric effect on the relationship between measurement error and positioning determination error, the smallest GDOP of the measurement unit subset is usually chosen for positioning. The conventional GDOP calculation using matrix inversion method requires many operations. Because more and more measurement units can be chosen nowadays, an efficient calculation should be designed to decrease the complexity. Since the performance of each measurement unit is different, the weighted GDOP (WGDOP, instead of GDOP, is used to select the measurement units to improve the accuracy of location. To calculate WGDOP effectively and efficiently, the closed-form solution for WGDOP calculation is proposed when more than four measurements are available. In this paper, an efficient WGDOP calculation method applying matrix multiplication that is easy for hardware implementation is proposed. In addition, the proposed method can be used when more than exactly four measurements are available. Even when using all-in-view method for positioning, the proposed method still can reduce the computational overhead. The proposed WGDOP methods with less computation are compatible with global positioning system (GPS, wireless sensor networks (WSN and cellular communication systems.

  13. Calculation of hadronic matrix elements using lattice QCD

    International Nuclear Information System (INIS)

    Gupta, R.

    1993-01-01

    The author gives a brief introduction to the scope of lattice QCD calculations in his effort to extract the fundamental parameters of the standard model. This goal is illustrated by two examples. First the author discusses the extraction of CKM matrix elements from measurements of form factors for semileptonic decays of heavy-light pseudoscalar mesons such as D → Keν. Second, he presents the status of results for the kaon B parameter relevant to CP violation. He concludes the talk with a short outline of his experiences with optimizing QCD codes on the CM5

  14. Calculation of hadronic matrix elements using lattice QCD

    Energy Technology Data Exchange (ETDEWEB)

    Gupta, R.

    1993-08-01

    The author gives a brief introduction to the scope of lattice QCD calculations in his effort to extract the fundamental parameters of the standard model. This goal is illustrated by two examples. First the author discusses the extraction of CKM matrix elements from measurements of form factors for semileptonic decays of heavy-light pseudoscalar mesons such as D {yields} Ke{nu}. Second, he presents the status of results for the kaon B parameter relevant to CP violation. He concludes the talk with a short outline of his experiences with optimizing QCD codes on the CM5.

  15. Comparison of matrix exponential methods for fuel burnup calculations

    International Nuclear Information System (INIS)

    Oh, Hyung Suk; Yang, Won Sik

    1999-01-01

    Series expansion methods to compute the exponential of a matrix have been compared by applying them to fuel depletion calculations. Specifically, Taylor, Pade, Chebyshev, and rational Chebyshev approximations have been investigated by approximating the exponentials of bum matrices by truncated series of each method with the scaling and squaring algorithm. The accuracy and efficiency of these methods have been tested by performing various numerical tests using one thermal reactor and two fast reactor depletion problems. The results indicate that all the four series methods are accurate enough to be used for fuel depletion calculations although the rational Chebyshev approximation is relatively less accurate. They also show that the rational approximations are more efficient than the polynomial approximations. Considering the computational accuracy and efficiency, the Pade approximation appears to be better than the other methods. Its accuracy is better than the rational Chebyshev approximation, while being comparable to the polynomial approximations. On the other hand, its efficiency is better than the polynomial approximations and is similar to the rational Chebyshev approximation. In particular, for fast reactor depletion calculations, it is faster than the polynomial approximations by a factor of ∼ 1.7. (author). 11 refs., 4 figs., 2 tabs

  16. Application of FIRE for the calculation of photon matrix elements

    Indian Academy of Sciences (India)

    to evaluate the two-loop Feynman diagrams for the photon matrix element of the ... sum of scalar Feynman integrals to a linear combination of a few master integrals. .... Then, FIRE is used to express these scalar integrals as a linear combi-.

  17. Reweighting QCD matrix-element and parton-shower calculations

    Energy Technology Data Exchange (ETDEWEB)

    Bothmann, Enrico; Schumann, Steffen [Universitaet Goettingen, II. Physikalisches Institut, Goettingen (Germany); Schoenherr, Marek [Universitaet Zuerich, Physik-Institut, Zuerich (Switzerland)

    2016-11-15

    We present the implementation and validation of the techniques used to efficiently evaluate parametric and perturbative theoretical uncertainties in matrix-element plus parton-shower simulations within the Sherpa event-generator framework. By tracing the full α{sub s} and PDF dependences, including the parton-shower component, as well as the fixed-order scale uncertainties, we compute variational event weights on-the-fly, thereby greatly reducing the computational costs to obtain theoretical-uncertainty estimates. (orig.)

  18. Something different - caching applied to calculation of impedance matrix elements

    CSIR Research Space (South Africa)

    Lysko, AA

    2012-09-01

    Full Text Available of the multipliers, the approximating functions are used any required parameters, such as input impedance or gain pattern etc. The method is relatively straightforward but, especially for small to medium matrices, requires spending time on filling... of the computing the impedance matrix for the method of moments, or a similar method, such as boundary element method (BEM) [22], with the help of the flowchart shown in Figure 1. Input Parameters (a) Search the cached data for a match (b) A match found...

  19. Emergy Algebra: Improving Matrix Methods for Calculating Tranformities

    Science.gov (United States)

    Transformity is one of the core concepts in Energy Systems Theory and it is fundamental to the calculation of emergy. Accurate evaluation of transformities and other emergy per unit values is essential for the broad acceptance, application and further development of emergy method...

  20. Automated calculation of matrix elements and physics motivated observables

    Science.gov (United States)

    Was, Z.

    2017-11-01

    The central aspect of my personal scientific activity, has focused on calculations useful for interpretation of High Energy accelerator experimental results, especially in a domain of precision tests of the Standard Model. My activities started in early 80’s, when computer support for algebraic manipulations was in its infancy. But already then it was important for my work. It brought a multitude of benefits, but at the price of some inconvenience for physics intuition. Calculations became more complex, work had to be distributed over teams of researchers and due to automatization, some aspects of the intermediate results became more difficult to identify. In my talk I will not be very exhaustive, I will present examples from my personal research only: (i) calculations of spin effects for the process e + e - → τ + τ - γ at Petra/PEP energies, calculations (with the help of the Grace system of Minami-tateya group) and phenomenology of spin amplitudes for (ii) e + e - → 4f and for (iii) e + e - → νeν¯eγγ processes, (iv) phenomenology of CP-sensitive observables for Higgs boson parity in H → τ + τ -, τ ± → ν2(3)π cascade decays.

  1. Convergent J-matrix calculation of the Poet-Temkin model of electron-hydrogen scattering

    International Nuclear Information System (INIS)

    Konovalov, D.A.; McCarthy, I.E.

    1994-01-01

    It is shown that the Poet-Temkin model of electron-hydrogen scattering could be solved to any required accuracy using the J-matrix method. The convergence in the basis size is achieved to an accuracy of better than 2% with the inclusion of 37 basis L 2 functions. Previously observed pseudoresonances in the J-matrix calculation naturally disappear with an increase in basis size. No averaging technique is necessary to smooth the convergent J-matrix results. (Author)

  2. Comparison between phase shift derived and exactly calculated nucleon--nucleon interaction matrix elements

    International Nuclear Information System (INIS)

    Gregersen, A.W.

    1977-01-01

    A comparison is made between matrix elements calculated using the uncoupled channel Sussex approach to second order in DWBA and matrix elements calculated using a square well potential. The square well potential illustrated the problem of the determining parameter independence balanced with the concept of phase shift difference. The super-soft core potential was used to discuss the systematics of the Sussex approach as a function of angular momentum as well as the relation between Sussex generated and effective interaction matrix elements. In the uncoupled channels the original Sussex method of extracting effective interaction matrix elements was found to be satisfactory. In the coupled channels emphasis was placed upon the 3 S 1 -- 3 D 1 coupled channel matrix elements. Comparison is made between exactly calculated matrix elements, and matrix elements derived using an extended formulation of the coupled channel Sussex method. For simplicity the potential used is a nonseparable cut-off oscillator. The eigenphases of this potential can be made to approximate the realistic nucleon--nucleon phase shifts at low energies. By using the cut-off oscillator test potential, the original coupled channel Sussex method of determining parameter independence was shown to be incapable of accurately reproducing the exact cut-off oscillator matrix elements. The extended Sussex method was found to be accurate to within 10 percent. The extended method is based upon more general coupled channel DWBA and a noninfinite oscillator wave function solution to the cut-off oscillator auxiliary potential. A comparison is made in the coupled channels between matrix elements generated using the original Sussex method and the extended method. Tables of matrix elements generated using the original uncoupled channel Sussex method and the extended coupled channel Sussex method are presented for all necessary angular momentum channels

  3. Calculation of total number of disintegrations after intake of radioactive nuclides using the pseudo inverse matrix

    International Nuclear Information System (INIS)

    Noh, Si Wan; Sol, Jeong; Lee, Jai Ki; Lee, Jong Il; Kim, Jang Lyul

    2012-01-01

    Calculation of total number of disintegrations after intake of radioactive nuclides is indispensable to calculate a dose coefficient which means committed effective dose per unit activity (Sv/Bq). In order to calculate the total number of disintegrations analytically, Birch all's algorithm has been commonly used. As described below, an inverse matrix should be calculated in the algorithm. As biokinetic models have been complicated, however, the inverse matrix does not exist sometime and the total number of disintegrations cannot be calculated. Thus, a numerical method has been applied to DCAL code used to calculate dose coefficients in ICRP publication and IMBA code. In this study, however, we applied the pseudo inverse matrix to solve the problem that the inverse matrix does not exist for. In order to validate our method, the method was applied to two examples and the results were compared to the tabulated data in ICRP publication. MATLAB 2012a was used to calculate the total number of disintegrations and exp m and p inv MATLAB built in functions were employed

  4. Treatment of pauli exclusion operator in G-matrix calculations for hypernuclei

    International Nuclear Information System (INIS)

    Kuo, T.T.S.; Hao, Jifa

    1995-01-01

    We discuss a matrix-inversion method for treating the Pauli exclusion operator Q in the hyperon-nucleon G-matrix equation for hypernuclei such as Λ 16 O. A model space consisted of shell-model wave functions is employed. We discuss that it is preferable to employ a free-particle spectrum for the intermediate states of the G matrix. This leads to the difficulty that the G-matrix intermediate states are plane waves and on this representation the Pauli operator Q has a rather complicated structure. A matrix-inversion method for over-coming this difficulty is examined. To implement this method it is necessary to employ a so-called n 3Λ truncation approximation. Numerical calculations using the Juelich B tilde and A tilde potentials have been performed to study the accuracy of this approximation. (author)

  5. Positron collisions with acetylene calculated using the R-matrix with pseudo-states method

    Science.gov (United States)

    Zhang, Rui; Galiatsatos, Pavlos G.; Tennyson, Jonathan

    2011-10-01

    Eigenphase sums, total cross sections and differential cross sections are calculated for low-energy collisions of positrons with C2H2. The calculations demonstrate that the use of appropriate pseudo-state expansions very significantly improves the representation of this process giving both realistic eigenphases and cross sections. Differential cross sections are strongly forward peaked in agreement with the measurements. These calculations are computationally very demanding; even with improved procedures for matrix diagonalization, fully converged calculations are too expensive with current computer resources. Nonetheless, the calculations show clear evidence for the formation of a virtual state but no indication that acetylene actually binds a positron at its equilibrium geometry.

  6. Calculating Relativistic Transition Matrix Elements for Hydrogenic Atoms Using Monte Carlo Methods

    Science.gov (United States)

    Alexander, Steven; Coldwell, R. L.

    2015-03-01

    The nonrelativistic transition matrix elements for hydrogen atoms can be computed exactly and these expressions are given in a number of classic textbooks. The relativistic counterparts of these equations can also be computed exactly but these expressions have been described in only a few places in the literature. In part, this is because the relativistic equations lack the elegant simplicity of the nonrelativistic equations. In this poster I will describe how variational Monte Carlo methods can be used to calculate the energy and properties of relativistic hydrogen atoms and how the wavefunctions for these systems can be used to calculate transition matrix elements.

  7. A parallel algorithm for Hamiltonian matrix construction in electron-molecule collision calculations: MPI-SCATCI

    Science.gov (United States)

    Al-Refaie, Ahmed F.; Tennyson, Jonathan

    2017-12-01

    Construction and diagonalization of the Hamiltonian matrix is the rate-limiting step in most low-energy electron - molecule collision calculations. Tennyson (1996) implemented a novel algorithm for Hamiltonian construction which took advantage of the structure of the wavefunction in such calculations. This algorithm is re-engineered to make use of modern computer architectures and the use of appropriate diagonalizers is considered. Test calculations demonstrate that significant speed-ups can be gained using multiple CPUs. This opens the way to calculations which consider higher collision energies, larger molecules and / or more target states. The methodology, which is implemented as part of the UK molecular R-matrix codes (UKRMol and UKRMol+) can also be used for studies of bound molecular Rydberg states, photoionization and positron-molecule collisions.

  8. Lattice calculation of hadronic weak matrix elements: the ΔI = 1/2 rule

    International Nuclear Information System (INIS)

    Bernard, C.

    1984-01-01

    A lattice Monte Carlo technique for calculating the matrix elements of weak operators is described. Emphasis is placed on the ΔI = 1/2 rule, which is such a large effect that the significant errors associated with current lattice methods (statistics, finite size, finite lattice spacing, extrapolations in quark mass, etc.) should not disguise the important qualitative features. A detailed exposition of the analytic bases for the calculation is given, and an attempt is made to avoid the questionable phenomenological assumptions (such as some of those inherent in the Penguin approach) which were necessary when matrix elements could not be calculated. The current state of the calculation-in-progress is described. This work is being done in collaboration with A. Soni, T. Draper, G. Hockney, and M. Rushton

  9. Use of shell model calculations in R-matrix studies of neutron-induced reactions

    International Nuclear Information System (INIS)

    Knox, H.D.

    1986-01-01

    R-matrix analyses of neutron-induced reactions for many of the lightest p-shell nuclei are difficult due to a lack of distinct resonance structure in the reaction cross sections. Initial values for the required R-matrix parameters, E,sub(lambda) and γsub(lambdac) for states in the compound system, can be obtained from shell model calculations. In the present work, the results of recent shell model calculations for the lithium isotopes have been used in R-matrix analyses of 6 Li+n and 7 Li+n reactions for E sub(n) 7 Li and 8 Li on the 6 Li+n and 7 Li+n reaction mechanisms and cross sections are discussed. (author)

  10. Direct calculation of resonance energies and widths from the poles of the multichannel T matrix

    International Nuclear Information System (INIS)

    Watson, D.K.

    1984-01-01

    A numerical method is developed to search the complex momentum plane for the poles of the multichannel T matrix. No resonance or continuum wave functions are calculated and no complex basis functions are required. The appropriate Green's function is constructed and used to enforce the asymptotic behavior. Results are obtained for a three-state model problem and compared with results from other techniques

  11. Roundtrip matrix method for calculating the leaky resonant modes of open nanophotonic structures

    DEFF Research Database (Denmark)

    de Lasson, Jakob Rosenkrantz; Kristensen, Philip Trøst; Mørk, Jesper

    2014-01-01

    We present a numerical method for calculating quasi-normal modes of open nanophotonic structures. The method is based on scattering matrices and a unity eigenvalue of the roundtrip matrix of an internal cavity, and we develop it in detail with electromagnetic fields expanded on Bloch modes...

  12. Evaluation of the streaming-matrix method for discrete-ordinates duct-streaming calculations

    International Nuclear Information System (INIS)

    Clark, B.A.; Urban, W.T.; Dudziak, D.J.

    1983-01-01

    A new deterministic streaming technique called the Streaming Matrix Hybrid Method (SMHM) is applied to two realistic duct-shielding problems. The results are compared to standard discrete-ordinates and Monte Carlo calculations. The SMHM shows promise as an alternative deterministic streaming method to standard discrete-ordinates

  13. General-transformation matrix for Dirac spinors and the calculation of spinorial amplitudes

    International Nuclear Information System (INIS)

    Nam, K.; Moravcsik, M.J.

    1983-01-01

    A general transformation matrix T(p's';p,s) is constructed which transforms a Dirac spinor psi(p,s) into another Dirac spinor psi(p',s') with arbitrarily given momenta and polarization states by expoloting the so-called Stech operator as one of generators for those transformations. This transformation matrix is then used in a calculation to yield the spinorial matrix element M = anti psi(p',s')GAMMApsi(p,s) for any spin polarization state. The final expressions of these matrix elements show the explicit structure of spin dependence for the process described by these spinorial amplitudes. The kinematical limiting cases such as very low energy or high energy of the various matrix elements can also be easily displayed. Our method is superior to the existing one in the following points. Since we have a well-defined transformation operator between two Dirac spinor states, we can evaluate the necessary phase factor of the matrix elements in an unambiguous way without introducing the coordinate system. This enables us to write down the Feynman amplitudes of complicated processes in any spin basis very easily in terms of previously calculated matrix elements of anti psiGAMMApsi which are building blocks of those Feynman amplitudes. The usefulness of the results is illustrated on Compton scattering and on the elastic scattering of two identical massive leptons where the phase factor is important. It is also shown that the Stech operator as a polarization operator is simply related to the operator K = #betta#(polarized μ . polarized L + 1)/2 which is often used in bound state problems

  14. R-matrix and RR-matrix calculations for cross sections for photoionization of outermost subshell in nobile gas atoms

    International Nuclear Information System (INIS)

    Tiwary, S.N.

    2000-02-01

    Photon impact integral ionization cross section (σ) as well as photoelectron asymmetry parameter (β) for the reactions hν+Ne(1s 2 2s 2 2p 6 ) → Ne + (1s 2 2s 2 2p 5 ) + e - , hν+Ar(1s 2 2s 2 2p 6 3s 2 3p 6 ) → Ar + (1s 2 2s 2 2p 6 3s 2 3p 5 ) + e - , hν+Kr(1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 4s 2 4p 6 ) → Kr + (1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 4s 2 4p 5 ) + e - and hν+Xe(1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 4s 2 4p 6 4d 10 5s 2 5p 6 ) → Xe + (1s 2 2s 2 2p 6 3s 2 3p 6 3d 10 4s 2 4p 6 4d 10 5s 2 5p 5 ) + e - have been calculated in the L-S and j-j coupling schemes using Hartree-Fock (HF) wavefunctions within the reliable non-relativistic R-matrix as well as relativistic R-matrix (RR-matrix) methods in both the length and velocity gauges in the energy range of experimental data available. Comparison is made with all available experimental data as well as other theoretical results. Our present theoretical investigation clearly demonstrates that there is a good agreement between our present R-matrix results and RR-matrix results as well as with other results in the case of neon which reflects that the correlation and relativity are not important in this case, in the energy range of present consideration. Whereas in the case of xenon (Z=54), the independent-particle approximation completely breaks down, i.e., HF cross sections are both qualitatively as well as quantitatively incorrect in the entire energy range which exhibit that the multielectron correlation as well as relativity are both important but interchannel interactions are more important than the intrachannel interaction and relativity for obtaining high precision results. (author)

  15. Neutron-deuteron scattering calculations with W-matrix representation of the two-body input

    International Nuclear Information System (INIS)

    Bartnik, E.A.; Haberzettl, H.; Januschke, T.; Kerwath, U.; Sandhas, W.

    1987-05-01

    Employing the W-matrix representation of the partial-wave T matrix introduced by Bartnik, Haberzettl, and Sandhas, we show for the example of the Malfliet-Tjon potentials I and III that the single-term separable part of the W-matrix representation, when used as input in three-nucleon neutron-deuteron scattering calculations, is fully capable of reproducing the exact results obtained by Kloet and Tjon. This approximate two-body input not only satisfies the two-body off-shell unitarity relation but, moreover, it also contains a parameter which may be used in optimizing the three-body data. We present numerical evidence that there exists a variational (minimum) principle for the determination of the three-body binding energy which allows one to choose this parameter also in the absence of an exact reference calculation. Our results for neutron-deuteron scattering show that it is precisely this choice of the parameter which provides optimal scattering data. We conclude that the W-matrix approach, despite its simplicity, is a remarkably efficient tool for high-quality three-nucleon calculations. (orig.)

  16. Direct calculation of resonance energies and widths using an R-matrix approach

    International Nuclear Information System (INIS)

    Schneider, B.I.

    1981-01-01

    A modified R-matrix technique is presented which determines the eigenvalues and widths of resonant states by the direct diagonalization of a complex, non-Hermitian matrix. The method utilizes only real basis sets and requires a minimum of complex arithmetic. The method is applied to two problems, a set of coupled square wells and the Pi/sub g/ resonance of N 2 in the static-exchange approximation. The results of the calculation are in good agreement with other methods and converge very quickly with basis-set size

  17. Identity of the conjugate gradient and Lanczos algorithms for matrix inversion in lattice fermion calculations

    International Nuclear Information System (INIS)

    Burkitt, A.N.; Irving, A.C.

    1988-01-01

    Two of the methods that are widely used in lattice gauge theory calculations requiring inversion of the fermion matrix are the Lanczos and the conjugate gradient algorithms. Those algorithms are already known to be closely related. In fact for matrix inversion, in exact arithmetic, they give identical results at each iteration and are just alternative formulations of a single algorithm. This equivalence survives rounding errors. We give the identities between the coefficients of the two formulations, enabling many of the best features of them to be combined. (orig.)

  18. Reaction matrix calculation of 4He including Δ degrees of freedom

    International Nuclear Information System (INIS)

    Wakamatsu, Masashi.

    1979-06-01

    The effects of the Δ(3-3 resonance) components on the binding energy of 4 He are studied within the framework of the reaction matrix theory. In this approach, the Δ configurations in 4 He are introduced in terms of the NΔ transition potential by solving the reaction matrix equation and thus it goes beyond perturbation theory with the NΔ transition potential. Not only the two-body cluster energy but also the three-body cluster energy containing Δ configurations are calculated. (author)

  19. Positron collisions with acetylene calculated using the R-matrix with pseudo-states method

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Rui; Galiatsatos, Pavlos G; Tennyson, Jonathan, E-mail: j.tennyson@ucl.ac.uk [Department of Physics and Astronomy, University College London, Gower St., London WC1E 6BT (United Kingdom)

    2011-10-14

    Eigenphase sums, total cross sections and differential cross sections are calculated for low-energy collisions of positrons with C{sub 2}H{sub 2}. The calculations demonstrate that the use of appropriate pseudo-state expansions very significantly improves the representation of this process giving both realistic eigenphases and cross sections. Differential cross sections are strongly forward peaked in agreement with the measurements. These calculations are computationally very demanding; even with improved procedures for matrix diagonalization, fully converged calculations are too expensive with current computer resources. Nonetheless, the calculations show clear evidence for the formation of a virtual state but no indication that acetylene actually binds a positron at its equilibrium geometry.

  20. A dielectric matrix calculation of the surface-plasmon energy for the silicon (100) surface

    International Nuclear Information System (INIS)

    Forsyth, A.J.; Smith, A.E.; Josefsson, T.W.

    1996-01-01

    Full text: As an extension of previous work, we present preliminary calculations for the dielectric properties of the silicon (100) surface. In particular, the |q|→0 and |q|=2π/a(1,0,0) surface loss function, and corresponding surface plasmon energies have been calculated within a simple model for the silicon surface. The results have been obtained from the Adler and Wiser dielectric matrix (DM). The bandstructure used for the calculation was based on the highly successful empirical pseudopotential method of Cohen and Chelikovsky. We have used a 59 plane wave basis for the bandstructure, and have chosen a DM size of 59 x 59. Results are compared and contrasted with volume plasmon calculations, free electron calculations and experiment

  1. Method of computer algebraic calculation of the matrix elements in the second quantization language

    International Nuclear Information System (INIS)

    Gotoh, Masashi; Mori, Kazuhide; Itoh, Reikichi

    1995-01-01

    An automated method by the algebraic programming language REDUCE3 for specifying the matrix elements expressed in second quantization language is presented and then applied to the case of the matrix elements in the TDHF theory. This program works in a very straightforward way by commuting the electron creation and annihilation operator (a † and a) until these operators have completely vanished from the expression of the matrix element under the appropriate elimination conditions. An improved method using singlet generators of unitary transformations in the place of the electron creation and annihilation operators is also presented. This improvement reduces the time and memory required for the calculation. These methods will make programming in the field of quantum chemistry much easier. 11 refs., 1 tab

  2. Inelastic plasmon and inter-band electron-scattering potentials for Si from dielectric matrix calculations

    International Nuclear Information System (INIS)

    Josefsson, T.W.; Smith, A.E.

    1994-01-01

    Inelastic scattering of electrons in a crystalline environment may be represented by a complex non-hermitian potential. Completed generalised expressions for this inelastic electron scattering potential matrix, including virtual inelastic scattering, are derived for outer-shell electron and plasmon excitations. The relationship between these expressions and the general anisotropic dielectric response matrix of the solid is discussed. These generalised expressions necessarily include the off-diagonal terms representing effects due to departure from translational invariance in the interaction. Results are presented for the diagonal back structure dependent inelastic and virtual inelastic scattering potentials for Si, from a calculation of the inverse dielectric matrix in the random phase approximation. Good agreement is found with experiment as a function of incident energies from 10 eV to 100 keV. Anisotropy effects and hence the interaction de localisation represented by the off-diagonal scattering potential terms, are found to be significant below 1 keV. 38 refs., 2 figs

  3. Matrix Methods for Solving Hartree-Fock Equations in Atomic Structure Calculations and Line Broadening

    Directory of Open Access Journals (Sweden)

    Thomas Gomez

    2018-04-01

    Full Text Available Atomic structure of N-electron atoms is often determined by solving the Hartree-Fock equations, which are a set of integro-differential equations. The integral part of the Hartree-Fock equations treats electron exchange, but the Hartree-Fock equations are not often treated as an integro-differential equation. The exchange term is often approximated as an inhomogeneous or an effective potential so that the Hartree-Fock equations become a set of ordinary differential equations (which can be solved using the usual shooting methods. Because the Hartree-Fock equations are an iterative-refinement method, the inhomogeneous term relies on the previous guess of the wavefunction. In addition, there are numerical complications associated with solving inhomogeneous differential equations. This work uses matrix methods to solve the Hartree-Fock equations as an integro-differential equation. It is well known that a derivative operator can be expressed as a matrix made of finite-difference coefficients; energy eigenvalues and eigenvectors can be obtained by using linear-algebra packages. The integral (exchange part of the Hartree-Fock equation can be approximated as a sum and written as a matrix. The Hartree-Fock equations can be solved as a matrix that is the sum of the differential and integral matrices. We compare calculations using this method against experiment and standard atomic structure calculations. This matrix method can also be used to solve for free-electron wavefunctions, thus improving how the atoms and free electrons interact. This technique is important for spectral line broadening in two ways: it improves the atomic structure calculations, and it improves the motion of the plasma electrons that collide with the atom.

  4. Matrix-operator method for calculation of dynamics of intense beams of charged particles

    International Nuclear Information System (INIS)

    Kapchinskij, M.I.; Korenev, I.L.; Rinskij, L.A.

    1989-01-01

    Calculation algorithm for particle dynamics in high-current cyclic and linear accelerators is suggested. Particle movement in six-dimensional phase space is divided into coherent and incoherent components. Incoherent movement is described by envelope method; particle cluster is considered to be even-charged by tri-axial ellipsoid. Coherent movement is described in para-axial approximation; each structure element of the accelerator transport channel is characterized by six-dimensional matrix of phase coordinate transformation of cluster centre and by shift vector resulting from deviation of focusing element parameters from calculated values. Effect of space charge reflected forces is taken into account in the element matrix. Algorithm software is realized using well-known TRANSPORT program

  5. Reactor calculation in coarse mesh by finite element method applied to matrix response method

    International Nuclear Information System (INIS)

    Nakata, H.

    1982-01-01

    The finite element method is applied to the solution of the modified formulation of the matrix-response method aiming to do reactor calculations in coarse mesh. Good results are obtained with a short running time. The method is applicable to problems where the heterogeneity is predominant and to problems of evolution in coarse meshes where the burnup is variable in one same coarse mesh, making the cross section vary spatially with the evolution. (E.G.) [pt

  6. Multiphonon states in even-even spherical nuclei. Pt.1. Calculation of the overlap matrix

    International Nuclear Information System (INIS)

    Piepenbring, R.; Protasov, K.V.; Silvestre-Brac, B.

    1995-01-01

    The multiphonon method, previously developed for deformed nuclei is extended to the case of even-even spherical nuclei. Recursion formulae, well suited for numerical calculations are given for the overlap matrix elements. The method is illustrated for a single j-shell, where S-, D-, G-, .. phonons are introduced. In such an approach, the Pauli principle is fully and properly taken into account. ((orig.))

  7. Effects of sample size on estimates of population growth rates calculated with matrix models.

    Directory of Open Access Journals (Sweden)

    Ian J Fiske

    Full Text Available BACKGROUND: Matrix models are widely used to study the dynamics and demography of populations. An important but overlooked issue is how the number of individuals sampled influences estimates of the population growth rate (lambda calculated with matrix models. Even unbiased estimates of vital rates do not ensure unbiased estimates of lambda-Jensen's Inequality implies that even when the estimates of the vital rates are accurate, small sample sizes lead to biased estimates of lambda due to increased sampling variance. We investigated if sampling variability and the distribution of sampling effort among size classes lead to biases in estimates of lambda. METHODOLOGY/PRINCIPAL FINDINGS: Using data from a long-term field study of plant demography, we simulated the effects of sampling variance by drawing vital rates and calculating lambda for increasingly larger populations drawn from a total population of 3842 plants. We then compared these estimates of lambda with those based on the entire population and calculated the resulting bias. Finally, we conducted a review of the literature to determine the sample sizes typically used when parameterizing matrix models used to study plant demography. CONCLUSIONS/SIGNIFICANCE: We found significant bias at small sample sizes when survival was low (survival = 0.5, and that sampling with a more-realistic inverse J-shaped population structure exacerbated this bias. However our simulations also demonstrate that these biases rapidly become negligible with increasing sample sizes or as survival increases. For many of the sample sizes used in demographic studies, matrix models are probably robust to the biases resulting from sampling variance of vital rates. However, this conclusion may depend on the structure of populations or the distribution of sampling effort in ways that are unexplored. We suggest more intensive sampling of populations when individual survival is low and greater sampling of stages with high

  8. Effects of sample size on estimates of population growth rates calculated with matrix models.

    Science.gov (United States)

    Fiske, Ian J; Bruna, Emilio M; Bolker, Benjamin M

    2008-08-28

    Matrix models are widely used to study the dynamics and demography of populations. An important but overlooked issue is how the number of individuals sampled influences estimates of the population growth rate (lambda) calculated with matrix models. Even unbiased estimates of vital rates do not ensure unbiased estimates of lambda-Jensen's Inequality implies that even when the estimates of the vital rates are accurate, small sample sizes lead to biased estimates of lambda due to increased sampling variance. We investigated if sampling variability and the distribution of sampling effort among size classes lead to biases in estimates of lambda. Using data from a long-term field study of plant demography, we simulated the effects of sampling variance by drawing vital rates and calculating lambda for increasingly larger populations drawn from a total population of 3842 plants. We then compared these estimates of lambda with those based on the entire population and calculated the resulting bias. Finally, we conducted a review of the literature to determine the sample sizes typically used when parameterizing matrix models used to study plant demography. We found significant bias at small sample sizes when survival was low (survival = 0.5), and that sampling with a more-realistic inverse J-shaped population structure exacerbated this bias. However our simulations also demonstrate that these biases rapidly become negligible with increasing sample sizes or as survival increases. For many of the sample sizes used in demographic studies, matrix models are probably robust to the biases resulting from sampling variance of vital rates. However, this conclusion may depend on the structure of populations or the distribution of sampling effort in ways that are unexplored. We suggest more intensive sampling of populations when individual survival is low and greater sampling of stages with high elasticities.

  9. Efficient GW calculations using eigenvalue-eigenvector decomposition of the dielectric matrix

    Science.gov (United States)

    Nguyen, Huy-Viet; Pham, T. Anh; Rocca, Dario; Galli, Giulia

    2011-03-01

    During the past 25 years, the GW method has been successfully used to compute electronic quasi-particle excitation spectra of a variety of materials. It is however a computationally intensive technique, as it involves summations over occupied and empty electronic states, to evaluate both the Green function (G) and the dielectric matrix (DM) entering the expression of the screened Coulomb interaction (W). Recent developments have shown that eigenpotentials of DMs can be efficiently calculated without any explicit evaluation of empty states. In this work, we will present a computationally efficient approach to the calculations of GW spectra by combining a representation of DMs in terms of its eigenpotentials and a recently developed iterative algorithm. As a demonstration of the efficiency of the method, we will present calculations of the vertical ionization potentials of several systems. Work was funnded by SciDAC-e DE-FC02-06ER25777.

  10. Solution to the inversely stated transient source-receptor problem

    International Nuclear Information System (INIS)

    Sajo, E.; Sheff, J.R.

    1995-01-01

    Transient source-receptor problems are traditionally handled via the Boltzmann equation or through one of its variants. In the atmospheric transport of pollutants, meteorological uncertainties in the planetary boundary layer render only a few approximations to the Boltzmann equation useful. Often, due to the high number of unknowns, the atmospheric source-receptor problem is ill-posed. Moreover, models to estimate downwind concentration invariably assume that the source term is known. In this paper, an inverse methodology is developed, based on downwind measurement of concentration and that of meterological parameters to estimate the source term

  11. Calculations of the properties of superconducting alloys via the average T-matrix approximation

    International Nuclear Information System (INIS)

    Chatterjee, P.

    1980-01-01

    The theoretical formula of McMillan, modified via the multiple-scattering theory by Gomersall and Gyorffy, has been very successful in computing the electron-phonon coupling constant (lambda) and the transition temperature (Tsub(c)) of many superconducting elements and compounds. For disordered solids, such as substitutional alloys, however, this theory fails because of the breakdown of the translational symmetry used in the multiple-scattering theory. Under these conditions the problem can still be solved if the t-matrix is averaged in the random phase approximation (average T-matrix approximation). Gomersall and Gyorffy's expression is reformulated for lambda in the random phase approximation. This theory is applied to calculate lambda and Tsub(c) of the binary substitutional NbMo alloy system at different concentrations. The results appear to be in fair agreement with experiments. (author)

  12. Response matrix calculation of a Bonner Sphere Spectrometer using ENDF/B-VII libraries

    Energy Technology Data Exchange (ETDEWEB)

    Morató, Sergio; Juste, Belén; Miró, Rafael; Verdú, Gumersindo [Instituto de Seguridad Industrial, Radiofísica y Medioambiental (ISIRYM), Universitat Politècnica de València (Spain); Guardia, Vicent, E-mail: bejusvi@iqn.upv.es [GD Energy Services, Valencia (Spain). Grupo dominguis

    2017-07-01

    The present work is focused on the reconstruction of a neutron spectra using a multisphere spectrometer also called Bonner Spheres System (BSS). To that, the determination of the response detector curves is necessary therefore we have obtained the response matrix of a neutron detector by Monte Carlo (MC) simulation with MCNP6 where the use of unstructured mesh geometries is introduced as a novelty. The aim of these curves was to study the theoretical response of a widespread neutron spectrometer exposed to neutron radiation. A neutron detector device has been used in this work which is formed by a multispheres spectrometer (BSS) that uses 6 high density polyethylene spheres with different diameters. The BSS consists of a set of 0.95 g/cm{sup 3} high density polyethylene spheres. The detector is composed of a lithium iodide 6LiI cylindrical scintillator crystal 4mm x 4mm size LUDLUM Model 42 coupled to a photomultiplier tube. Thermal tables are required to include polyethylene cross section in the simulation. These data are essential to get correct and accurate results in problems involving neutron thermalization. Nowadays available literature present the response matrix calculated with ENDF.B.V cross section libraries (V.Mares et al 1993) or with ENDF.B.VI (R.Vega Carrillo et al 2007). This work uses two novelties to calculate the response matrix. On the one hand the use of unstructured meshes to simulate the geometry of the detector and the Bonner Spheres and on the other hand the use of the updated ENDF.B.VII cross sections libraries. A set of simulations have been performed to obtain the detector response matrix. 29 mono energetic neutron beams between 10 KeV to 20 MeV were used as source for each moderator sphere up to a total of 174 simulations. Each mono energetic source was defined with the same diameter as the moderating sphere used in its corresponding simulation and the spheres were uniformly irradiated from the top of the photomultiplier tube. Some

  13. Coupling-matrix approach to the Chern number calculation in disordered systems

    International Nuclear Information System (INIS)

    Zhang Yi-Fu; Ju Yan; Sheng Li; Shen Rui; Xing Ding-Yu; Yang Yun-You; Sheng Dong-Ning

    2013-01-01

    The Chern number is often used to distinguish different topological phases of matter in two-dimensional electron systems. A fast and efficient coupling-matrix method is designed to calculate the Chern number in finite crystalline and disordered systems. To show its effectiveness, we apply the approach to the Haldane model and the lattice Hofstadter model, and obtain the correct quantized Chern numbers. The disorder-induced topological phase transition is well reproduced, when the disorder strength is increased beyond the critical value. We expect the method to be widely applicable to the study of topological quantum numbers. (rapid communication)

  14. Matrix elements and few-body calculations within the unitary correlation operator method

    International Nuclear Information System (INIS)

    Roth, R.; Hergert, H.; Papakonstantinou, P.

    2005-01-01

    We employ the unitary correlation operator method (UCOM) to construct correlated, low-momentum matrix elements of realistic nucleon-nucleon interactions. The dominant short-range central and tensor correlations induced by the interaction are included explicitly by an unitary transformation. Using correlated momentum-space matrix elements of the Argonne V18 potential, we show that the unitary transformation eliminates the strong off-diagonal contributions caused by the short-range repulsion and the tensor interaction and leaves a correlated interaction dominated by low-momentum contributions. We use correlated harmonic oscillator matrix elements as input for no-core shell model calculations for few-nucleon systems. Compared to the bare interaction, the convergence properties are dramatically improved. The bulk of the binding energy can already be obtained in very small model spaces or even with a single Slater determinant. Residual long-range correlations, not treated explicitly by the unitary transformation, can easily be described in model spaces of moderate size allowing for fast convergence. By varying the range of the tensor correlator we are able to map out the Tjon line and can in turn constrain the optimal correlator ranges. (orig.)

  15. Matrix elements and few-body calculations within the unitary correlation operator method

    International Nuclear Information System (INIS)

    Roth, R.; Hergert, H.; Papakonstantinou, P.; Neff, T.; Feldmeier, H.

    2005-01-01

    We employ the unitary correlation operator method (UCOM) to construct correlated, low-momentum matrix elements of realistic nucleon-nucleon interactions. The dominant short-range central and tensor correlations induced by the interaction are included explicitly by an unitary transformation. Using correlated momentum-space matrix elements of the Argonne V18 potential, we show that the unitary transformation eliminates the strong off-diagonal contributions caused by the short-range repulsion and the tensor interaction and leaves a correlated interaction dominated by low-momentum contributions. We use correlated harmonic oscillator matrix elements as input for no-core shell model calculations for few-nucleon systems. Compared to the bare interaction, the convergence properties are dramatically improved. The bulk of the binding energy can already be obtained in very small model spaces or even with a single Slater determinant. Residual long-range correlations, not treated explicitly by the unitary transformation, can easily be described in model spaces of moderate size allowing for fast convergence. By varying the range of the tensor correlator we are able to map out the Tjon line and can in turn constrain the optimal correlator ranges

  16. High performance shape annealing matrix (HPSAM) methodology for core protection calculators

    International Nuclear Information System (INIS)

    Cha, K. H.; Kim, Y. H.; Lee, K. H.

    1999-01-01

    In CPC(Core Protection Calculator) of CE-type nuclear power plants, the core axial power distribution is calculated to evaluate the safety-related parameters. The accuracy of the CPC axial power distribution highly depends on the quality of the so called shape annealing matrix(SAM). Currently, SAM is determined by using data measured during startup test and used throughout the entire cycle. An issue concerned with SAM is that it is fairly sensitive to measurements and thus the fidelity of SAM is not guaranteed for all cycles. In this paper, a novel method to determine a high-performance SAM (HPSAM) is proposed, where both measured and simulated data are used in determining SAM

  17. Linear cascade calculations of matrix due to neutron-induced nuclear reactions

    International Nuclear Information System (INIS)

    Avila, Ricardo E

    2000-01-01

    A method is developed to calculate the total number of displacements created by energetic particles resulting from neutron-induced nuclear reactions. The method is specifically conceived to calculate the damage in lithium ceramics by the 6L i(n, α)T reaction. The damage created by any particle is related to that caused by atoms from the matrix recoiling after collision with the primary particle. An integral equation for that self-damage is solved by interactions, using the magic stopping powers of Ziegler, Biersack and Littmark. A projectile-substrate dependent Kinchin-Pease model is proposed, giving and analytic approximation to the total damage as a function of the initial particle energy (au)

  18. Dirac R-matrix calculations of electron-impact excitation of neon-like krypton

    Energy Technology Data Exchange (ETDEWEB)

    Griffin, D C; Ballance, C P [Department of Physics, Rollins College, Winter Park, FL 32789 (United States); Mitnik, D M [Instituto de Astronomia y Fisica del Espacio, and Departamento de Fisica, Universidad de Buenos Aires (Argentina); Berengut, J C [School of Physics, University of New South Wales, Sydney 2052 (Australia)

    2008-11-14

    We have employed the Dirac R-matrix method to determine electron-impact excitation cross sections and effective collision strengths in Ne-like Kr{sup 26+}. Both the configuration-interaction expansion of the target and the close-coupling expansion employed in the scattering calculation included 139 levels up through n = 5. Many of the cross sections are found to exhibit very strong resonances, yet the effects of radiation damping on the resonance contributions are relatively small. Using these collisional data along with multi-configuration Dirac-Fock radiative rates, we have performed collisional-radiative modeling calculations to determine line-intensity ratios for various radiative transitions that have been employed for diagnostics of other Ne-like ions.

  19. First principles calculations using density matrix divide-and-conquer within the SIESTA methodology

    International Nuclear Information System (INIS)

    Cankurtaran, B O; Gale, J D; Ford, M J

    2008-01-01

    The density matrix divide-and-conquer technique for the solution of Kohn-Sham density functional theory has been implemented within the framework of the SIESTA methodology. Implementation details are provided where the focus is on the scaling of the computation time and memory use, in both serial and parallel versions. We demonstrate the linear-scaling capabilities of the technique by providing ground state calculations of moderately large insulating, semiconducting and (near-) metallic systems. This linear-scaling technique has made it feasible to calculate the ground state properties of quantum systems consisting of tens of thousands of atoms with relatively modest computing resources. A comparison with the existing order-N functional minimization (Kim-Mauri-Galli) method is made between the insulating and semiconducting systems

  20. Calculation of the fast multiplication factor by the fission matrix method

    International Nuclear Information System (INIS)

    Naumov, V.A.; Rozin, S.G.; Ehl'perin, T.I.

    1976-01-01

    A variation of the Monte Carlo method to calculate an effective breeding factor of a nuclear reactor is described. The evaluation procedure of reactivity perturbations by the Monte Carlo method in the first order perturbation theory is considered. The method consists in reducing an integral neutron transport equation to a set of linear algebraic equations. The coefficients of this set are elements of a fission matrix. The fission matrix being a Grin function of the neutron transport equation, is evaluated by the Monte Carlo method. In the program realizing the suggested algorithm, the game for initial neutron energy of a fission spectrum and then for the region of neutron birth, ΔVsub(f)sup(i)has been played in proportion to the product of Σsub(f)sup(i)ΔVsub(f)sup(i), where Σsub(f)sup(i) is a macroscopic cross section in the region numbered at the birth energy. Further iterations of a space distribution of neutrons in the system are performed by the generation method. In the adopted scheme of simulation of neutron histories the emission of secondary neutrons is controlled by weights; it occurs at every collision and not only in the end on the history. The breeding factor is calculated simultaneously with the space distribution of neutron worth in the system relative to the fission process and neutron flux. Efficiency of the described procedure has been tested on the calculation of the breeding factor for the Godiva assembly, simulating a fast reactor with a hard spectrum. A high accuracy of calculations at moderate number of zones in the core and reasonable statistics has been stated

  1. pyRMSD: a Python package for efficient pairwise RMSD matrix calculation and handling.

    Science.gov (United States)

    Gil, Víctor A; Guallar, Víctor

    2013-09-15

    We introduce pyRMSD, an open source standalone Python package that aims at offering an integrative and efficient way of performing Root Mean Square Deviation (RMSD)-related calculations of large sets of structures. It is specially tuned to do fast collective RMSD calculations, as pairwise RMSD matrices, implementing up to three well-known superposition algorithms. pyRMSD provides its own symmetric distance matrix class that, besides the fact that it can be used as a regular matrix, helps to save memory and increases memory access speed. This last feature can dramatically improve the overall performance of any Python algorithm using it. In addition, its extensibility, testing suites and documentation make it a good choice to those in need of a workbench for developing or testing new algorithms. The source code (under MIT license), installer, test suites and benchmarks can be found at https://pele.bsc.es/ under the tools section. victor.guallar@bsc.es Supplementary data are available at Bioinformatics online.

  2. A new program for calculating matrix elements of one-particle operators in jj-coupling

    International Nuclear Information System (INIS)

    Pyper, N.C.; Grant, I.P.; Beatham, N.

    1978-01-01

    The aim of this paper is to calculate the matrix elements of one-particle tensor operators occurring in atomic and nuclear theory between configuration state functions representing states containing any number of open shells in jj-coupling. The program calculates the angular part of these matrix elements. The program is essentially a new version of RDMEJJ, written by J.J. Chang. The aims of this version are to eliminate inconsistencies from RDMEJJ, to modify its input requirements for consistency with MCP75, and to modify its output so that it can be stored in a discfile for access by other compatible programs. The program assumes that the configurational states are built from a common orthonormal set of basis orbitals. The number of electrons in a shell having j>=9/2 is restricted to be not greater than 2 by the available CFP routines . The present version allows up to 40 orbitals and 50 configurational states with <=10 open shells; these numbers can be changed by recompiling with modified COMMON/DIMENSION statements. The user should ensure that the CPC library subprograms AAGD, ACRI incorporate all current updates and have been converted to use double precision floating point arithmetic. (Auth.)

  3. Calculations with off-shell matrix elements, TMD parton densities and TMD parton showers

    Energy Technology Data Exchange (ETDEWEB)

    Bury, Marcin; Hameren, Andreas van; Kutak, Krzysztof; Sapeta, Sebastian [Polish Academy of Sciences, Institute of Nuclear Physics, Cracow (Poland); Jung, Hannes [Polish Academy of Sciences, Institute of Nuclear Physics, Cracow (Poland); DESY, Hamburg (Germany); Serino, Mirko [Polish Academy of Sciences, Institute of Nuclear Physics, Cracow (Poland); Ben Gurion University of the Negev, Department of Physics, Beersheba (Israel)

    2018-02-15

    A new calculation using off-shell matrix elements with TMD parton densities supplemented with a newly developed initial state TMD parton shower is described. The calculation is based on the KaTie package for an automated calculation of the partonic process in high-energy factorization, making use of TMD parton densities implemented in TMDlib. The partonic events are stored in an LHE file, similar to the conventional LHE files, but now containing the transverse momenta of the initial partons. The LHE files are read in by the Cascade package for the full TMD parton shower, final state shower and hadronization from Pythia where events in HEPMC format are produced. We have determined a full set of TMD parton densities and developed an initial state TMD parton shower, including all flavors following the TMD distribution. As an example of application we have calculated the azimuthal de-correlation of high p{sub t} dijets as measured at the LHC and found very good agreement with the measurement when including initial state TMD parton showers together with conventional final state parton showers and hadronization. (orig.)

  4. Recent R-matrix calculations and atomic data recommendations of relevance to iron impurities in fusion plasmas

    International Nuclear Information System (INIS)

    Berrington, K.A.

    1991-01-01

    A progress report on R-matrix calculations of electron impact excitation and opacity data for ionized Fe is given. This paper discusses aspects of modern calculations of the electron excitation process in atoms and ions. The Belfast Atomic Data Bank holds much data in this area, including data recommended in regular Atomic Data Workshops held to evaluate atomic data for the applications community: electron excitation data for Fe ions recommended at recent Workshops is summarised. The main R-matrix programs currently in use are described, and some recent R-matrix calculations on electron excitation in Fe ions are highlighted. Photoabsorption data for all elements up to Fe are also calculated using the R-matrix programs in the international Opacity Project, and a summary is given of the atomic data expected from the Project. Finally some possible future directions are outlined. (orig.)

  5. Transient coupled calculations of the Molten Salt Fast Reactor using the Transient Fission Matrix approach

    Energy Technology Data Exchange (ETDEWEB)

    Laureau, A., E-mail: laureau.axel@gmail.com; Heuer, D.; Merle-Lucotte, E.; Rubiolo, P.R.; Allibert, M.; Aufiero, M.

    2017-05-15

    Highlights: • Neutronic ‘Transient Fission Matrix’ approach coupled to the CFD OpenFOAM code. • Fission Matrix interpolation model for fast spectrum homogeneous reactors. • Application for coupled calculations of the Molten Salt Fast Reactor. • Load following, over-cooling and reactivity insertion transient studies. • Validation of the reactor intrinsic stability for normal and accidental transients. - Abstract: In this paper we present transient studies of the Molten Salt Fast Reactor (MSFR). This generation IV reactor is characterized by a liquid fuel circulating in the core cavity, requiring specific simulation tools. An innovative neutronic approach called “Transient Fission Matrix” is used to perform spatial kinetic calculations with a reduced computational cost through a pre-calculation of the Monte Carlo spatial and temporal response of the system. Coupled to this neutronic approach, the Computational Fluid Dynamics code OpenFOAM is used to model the complex flow pattern in the core. An accurate interpolation model developed to take into account the thermal hydraulics feedback on the neutronics including reactivity and neutron flux variation is presented. Finally different transient studies of the reactor in normal and accidental operating conditions are detailed such as reactivity insertion and load following capacities. The results of these studies illustrate the excellent behavior of the MSFR during such transients.

  6. Transient coupled calculations of the Molten Salt Fast Reactor using the Transient Fission Matrix approach

    International Nuclear Information System (INIS)

    Laureau, A.; Heuer, D.; Merle-Lucotte, E.; Rubiolo, P.R.; Allibert, M.; Aufiero, M.

    2017-01-01

    Highlights: • Neutronic ‘Transient Fission Matrix’ approach coupled to the CFD OpenFOAM code. • Fission Matrix interpolation model for fast spectrum homogeneous reactors. • Application for coupled calculations of the Molten Salt Fast Reactor. • Load following, over-cooling and reactivity insertion transient studies. • Validation of the reactor intrinsic stability for normal and accidental transients. - Abstract: In this paper we present transient studies of the Molten Salt Fast Reactor (MSFR). This generation IV reactor is characterized by a liquid fuel circulating in the core cavity, requiring specific simulation tools. An innovative neutronic approach called “Transient Fission Matrix” is used to perform spatial kinetic calculations with a reduced computational cost through a pre-calculation of the Monte Carlo spatial and temporal response of the system. Coupled to this neutronic approach, the Computational Fluid Dynamics code OpenFOAM is used to model the complex flow pattern in the core. An accurate interpolation model developed to take into account the thermal hydraulics feedback on the neutronics including reactivity and neutron flux variation is presented. Finally different transient studies of the reactor in normal and accidental operating conditions are detailed such as reactivity insertion and load following capacities. The results of these studies illustrate the excellent behavior of the MSFR during such transients.

  7. Use of the Streaming Matrix Hybrid Method for discrete-ordinates fusion reactor calculations

    International Nuclear Information System (INIS)

    Battat, M.E.; Davidson, J.W.; Dudziak, D.J.; Thayer, G.R.

    1984-01-01

    The use of the discrete-ordinates method for solving two-dimensional, neutral-particle transport in fusion reactor blankets and shields is often limited by inherent inaccuracies due to the ray-effect. This effect presents a particular problem in the case of neutron streaming in the large internal void regions of a fusion reactor. A deterministic streaming technique called the Streaming Matrix Hybrid Method (SMHM) has been incorporated in the two-dimensional discrete-ordinates code TRIDENT-CTR. Calculations have been performed for an actual inertial-confinement fusion (ICF) reactor design using TRIDENT-CTR both with and without the SMHM. Comparisons of the calculated fluxes indicate that substantial mitigation of the ray effect can be achieved with the SMHM. Calculations were performed for the Los Alamos FIRST STEP hybrid ICF reactor designed for tritium production. Conventional 238 U fuel rod assemblies surround the spherical steel target chamber to form an annular cylindrical blanket. An axial fuel region is included to complete the blanket

  8. Diagrammatic technique for calculating matrix elements of collective operators in superradiance

    International Nuclear Information System (INIS)

    Lee, C.T.

    1975-01-01

    Adopting the so-called ''genealogical construction,'' one can express the eigenstates of collective operators corresponding to a specified mode for an N-atom system in terms of those for an (N-1) -atom system. Using these Dicke states as bases and using the Wigner-Eckart theorem, a matrix element of a collective operator of an arbitrary mode can be written as the product of an m-dependent factor and an m-independent reduced matrix element (RME). A set of recursion formulas for the RME is obtained. A graphical representation of the RME on the branching diagram for binary irreducible representations of permutation groups is then introduced. This gives a simple and systematic way of calculating the RME. This method is especially useful when the cooperation number r is close to N/2, where almost exact asymptotic expressions can be obtained easily. The result shows explicitly the geometry dependence of superradiance and the relative importance of r-conserving and r-nonconserving processes. This clears up the chief difficulty encountered in the Dicke-Schwendimann approach to the problem of N two-level atoms, spread over large regions, interacting with a multimode radiation field

  9. A computer-based matrix for rapid calculation of pulmonary hemodynamic parameters in congenital heart disease

    International Nuclear Information System (INIS)

    Lopes, Antonio Augusto; Miranda, Rogerio dos Anjos; Goncalves, Rilvani Cavalcante; Thomaz, Ana Maria

    2009-01-01

    In patients with congenital heart disease undergoing cardiac catheterization for hemodynamic purposes, parameter estimation by the indirect Fick method using a single predicted value of oxygen consumption has been a matter of criticism. We developed a computer-based routine for rapid estimation of replicate hemodynamic parameters using multiple predicted values of oxygen consumption. Using Microsoft Excel facilities, we constructed a matrix containing 5 models (equations) for prediction of oxygen consumption, and all additional formulas needed to obtain replicate estimates of hemodynamic parameters. By entering data from 65 patients with ventricular septal defects, aged 1 month to 8 years, it was possible to obtain multiple predictions for oxygen consumption, with clear between-age groups ( P <.001) and between-methods ( P <.001) differences. Using these predictions in the individual patient, it was possible to obtain the upper and lower limits of a likely range for any given parameter, which made estimation more realistic. The organized matrix allows for rapid obtainment of replicate parameter estimates, without error due to exhaustive calculations. (author)

  10. A T-matrix calculation for in-medium heavy-quark gluon scattering

    International Nuclear Information System (INIS)

    Huggins, K.; Rapp, R.

    2012-01-01

    The interactions of charm and bottom quarks in a quark-gluon plasma (QGP) are evaluated using a thermodynamic 2-body T-matrix. We specifically focus on heavy-quark (HQ) interactions with thermal gluons with an input potential motivated by lattice-QCD computations of the HQ free energy. The latter is implemented into a field-theoretic ansatz for color-Coulomb and (remnants of) confining interactions. This, in particular, enables to discuss corrections to the potential approach, specifically hard-thermal-loop corrections to the vertices, relativistic corrections deduced from pertinent Feynman diagrams, and a suitable projection on transverse thermal gluons. The resulting potentials are applied to compute scattering amplitudes in different color channels and utilized for a calculation of the corresponding HQ drag coefficient in the QGP. A factor of ∼2-3 enhancement over perturbative results is obtained, mainly driven by the resummation in the attractive color-channels.

  11. Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms

    International Nuclear Information System (INIS)

    Ablinger, Jakob; Schneider, Carsten; Bluemlein, Johannes; Raab, Clemens; Wissbrock, Fabian

    2014-02-01

    We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version to the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∝30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N element of C. Integrals with a power-like divergence in N-space∝a N , a element of R, a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions.

  12. Calculating three loop ladder and V-topologies for massive operator matrix elements by computer algebra

    International Nuclear Information System (INIS)

    Ablinger, J.; Schneider, C.; Manteuffel, A. von

    2015-09-01

    Three loop ladder and V-topology diagrams contributing to the massive operator matrix element A Qg are calculated. The corresponding objects can all be expressed in terms of nested sums and recurrences depending on the Mellin variable N and the dimensional parameter ε. Given these representations, the desired Laurent series expansions in ε can be obtained with the help of our computer algebra toolbox. Here we rely on generalized hypergeometric functions and Mellin-Barnes representations, on difference ring algorithms for symbolic summation, on an optimized version of the multivariate Almkvist-Zeilberger algorithm for symbolic integration, and on new methods to calculate Laurent series solutions of coupled systems of differential equations. The solutions can be computed for general coefficient matrices directly for any basis also performing the expansion in the dimensional parameter in case it is expressible in terms of indefinite nested product-sum expressions. This structural result is based on new results of our difference ring theory. In the cases discussed we deal with iterative sum- and integral-solutions over general alphabets. The final results are expressed in terms of special sums, forming quasi-shuffle algebras, such as nested harmonic sums, generalized harmonic sums, and nested binomially weighted (cyclotomic) sums. Analytic continuations to complex values of N are possible through the recursion relations obeyed by these quantities and their analytic asymptotic expansions. The latter lead to a host of new constants beyond the multiple zeta values, the infinite generalized harmonic and cyclotomic sums in the case of V-topologies.

  13. Calculating three loop ladder and V-topologies for massive operator matrix elements by computer algebra

    Science.gov (United States)

    Ablinger, J.; Behring, A.; Blümlein, J.; De Freitas, A.; von Manteuffel, A.; Schneider, C.

    2016-05-01

    Three loop ladder and V-topology diagrams contributing to the massive operator matrix element AQg are calculated. The corresponding objects can all be expressed in terms of nested sums and recurrences depending on the Mellin variable N and the dimensional parameter ε. Given these representations, the desired Laurent series expansions in ε can be obtained with the help of our computer algebra toolbox. Here we rely on generalized hypergeometric functions and Mellin-Barnes representations, on difference ring algorithms for symbolic summation, on an optimized version of the multivariate Almkvist-Zeilberger algorithm for symbolic integration, and on new methods to calculate Laurent series solutions of coupled systems of differential equations. The solutions can be computed for general coefficient matrices directly for any basis also performing the expansion in the dimensional parameter in case it is expressible in terms of indefinite nested product-sum expressions. This structural result is based on new results of our difference ring theory. In the cases discussed we deal with iterative sum- and integral-solutions over general alphabets. The final results are expressed in terms of special sums, forming quasi-shuffle algebras, such as nested harmonic sums, generalized harmonic sums, and nested binomially weighted (cyclotomic) sums. Analytic continuations to complex values of N are possible through the recursion relations obeyed by these quantities and their analytic asymptotic expansions. The latter lead to a host of new constants beyond the multiple zeta values, the infinite generalized harmonic and cyclotomic sums in the case of V-topologies.

  14. Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms

    Energy Technology Data Exchange (ETDEWEB)

    Ablinger, Jakob; Schneider, Carsten [Johannes Kepler Univ., Linz (Austria). Reserach Inst. for Symbolic Computation (RISC); Bluemlein, Johannes; Raab, Clemens [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Wissbrock, Fabian [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany); Johannes Kepler Univ., Linz (Austria). Reserach Inst. for Symbolic Computation (RISC)

    2014-02-15

    We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version to the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∝30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N element of C. Integrals with a power-like divergence in N-space∝a{sup N}, a element of R, a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions.

  15. Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms

    Energy Technology Data Exchange (ETDEWEB)

    Ablinger, Jakob [Research Institute for Symbolic Computation (RISC), Johannes Kepler University, Altenbergerstraße 69, A-4040 Linz (Austria); Blümlein, Johannes; Raab, Clemens [Deutsches Elektronen-Synchrotron, DESY, Platanenallee 6, D-15738 Zeuthen (Germany); Schneider, Carsten [Research Institute for Symbolic Computation (RISC), Johannes Kepler University, Altenbergerstraße 69, A-4040 Linz (Austria); Wißbrock, Fabian [Research Institute for Symbolic Computation (RISC), Johannes Kepler University, Altenbergerstraße 69, A-4040 Linz (Austria); Deutsches Elektronen-Synchrotron, DESY, Platanenallee 6, D-15738 Zeuthen (Germany)

    2014-08-15

    We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version of the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators, new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∼30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N∈C. Integrals with a power-like divergence in N-space ∝a{sup N},a∈R,a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions.

  16. Calculating massive 3-loop graphs for operator matrix elements by the method of hyperlogarithms

    International Nuclear Information System (INIS)

    Ablinger, Jakob; Blümlein, Johannes; Raab, Clemens; Schneider, Carsten; Wißbrock, Fabian

    2014-01-01

    We calculate convergent 3-loop Feynman diagrams containing a single massive loop equipped with twist τ=2 local operator insertions corresponding to spin N. They contribute to the massive operator matrix elements in QCD describing the massive Wilson coefficients for deep-inelastic scattering at large virtualities. Diagrams of this kind can be computed using an extended version of the method of hyperlogarithms, originally being designed for massless Feynman diagrams without operators. The method is applied to Benz- and V-type graphs, belonging to the genuine 3-loop topologies. In case of the V-type graphs with five massive propagators, new types of nested sums and iterated integrals emerge. The sums are given in terms of finite binomially and inverse binomially weighted generalized cyclotomic sums, while the 1-dimensionally iterated integrals are based on a set of ∼30 square-root valued letters. We also derive the asymptotic representations of the nested sums and present the solution for N∈C. Integrals with a power-like divergence in N-space ∝a N ,a∈R,a>1, for large values of N emerge. They still possess a representation in x-space, which is given in terms of root-valued iterated integrals in the present case. The method of hyperlogarithms is also used to calculate higher moments for crossed box graphs with different operator insertions

  17. R-matrix calculations for electron-impact excitation of C(+), N(2+), and O(3+) including fine structure

    Science.gov (United States)

    Luo, D.; Pradhan, A. K.

    1990-01-01

    The new R-matrix package for comprehensive close-coupling calculations for electron scattering with the first three ions in the boron isoelectronic sequence, the astrophysically significant C(+), N(2+), and O(3+), is presented. The collision strengths are calculated in the LS coupling approximation, as well as in pair-coupling scheme, for the transitions among the fine-structure sublevels. Calculations are carried out at a large number of energies in order to study the detailed effects of autoionizing resonances.

  18. Optimising parallel R correlation matrix calculations on gene expression data using MapReduce.

    Science.gov (United States)

    Wang, Shicai; Pandis, Ioannis; Johnson, David; Emam, Ibrahim; Guitton, Florian; Oehmichen, Axel; Guo, Yike

    2014-11-05

    High-throughput molecular profiling data has been used to improve clinical decision making by stratifying subjects based on their molecular profiles. Unsupervised clustering algorithms can be used for stratification purposes. However, the current speed of the clustering algorithms cannot meet the requirement of large-scale molecular data due to poor performance of the correlation matrix calculation. With high-throughput sequencing technologies promising to produce even larger datasets per subject, we expect the performance of the state-of-the-art statistical algorithms to be further impacted unless efforts towards optimisation are carried out. MapReduce is a widely used high performance parallel framework that can solve the problem. In this paper, we evaluate the current parallel modes for correlation calculation methods and introduce an efficient data distribution and parallel calculation algorithm based on MapReduce to optimise the correlation calculation. We studied the performance of our algorithm using two gene expression benchmarks. In the micro-benchmark, our implementation using MapReduce, based on the R package RHIPE, demonstrates a 3.26-5.83 fold increase compared to the default Snowfall and 1.56-1.64 fold increase compared to the basic RHIPE in the Euclidean, Pearson and Spearman correlations. Though vanilla R and the optimised Snowfall outperforms our optimised RHIPE in the micro-benchmark, they do not scale well with the macro-benchmark. In the macro-benchmark the optimised RHIPE performs 2.03-16.56 times faster than vanilla R. Benefiting from the 3.30-5.13 times faster data preparation, the optimised RHIPE performs 1.22-1.71 times faster than the optimised Snowfall. Both the optimised RHIPE and the optimised Snowfall successfully performs the Kendall correlation with TCGA dataset within 7 hours. Both of them conduct more than 30 times faster than the estimated vanilla R. The performance evaluation found that the new MapReduce algorithm and its

  19. Matrix product state calculations for one-dimensional quantum chains and quantum impurity models

    International Nuclear Information System (INIS)

    Muender, Wolfgang

    2011-01-01

    This thesis contributes to the field of strongly correlated electron systems with studies in two distinct fields thereof: the specific nature of correlations between electrons in one dimension and quantum quenches in quantum impurity problems. In general, strongly correlated systems are characterized in that their physical behaviour needs to be described in terms of a many-body description, i.e. interactions correlate all particles in a complex way. The challenge is that the Hilbert space in a many-body theory is exponentially large in the number of particles. Thus, when no analytic solution is available - which is typically the case - it is necessary to find a way to somehow circumvent the problem of such huge Hilbert spaces. Therefore, the connection between the two studies comes from our numerical treatment: they are tackled by the density matrix renormalization group (DMRG) and the numerical renormalization group (NRG), respectively, both based on matrix product states. The first project presented in this thesis addresses the problem of numerically finding the dominant correlations in quantum lattice models in an unbiased way, i.e. without using prior knowledge of the model at hand. A useful concept for this task is the correlation density matrix (CDM) which contains all correlations between two clusters of lattice sites. We show how to extract from the CDM, a survey of the relative strengths of the system's correlations in different symmetry sectors as well as detailed information on the operators carrying long-range correlations and the spatial dependence of their correlation functions. We demonstrate this by a DMRG study of a one-dimensional spinless extended Hubbard model, while emphasizing that the proposed analysis of the CDM is not restricted to one dimension. The second project presented in this thesis is motivated by two phenomena under ongoing experimental and theoretical investigation in the context of quantum impurity models: optical absorption

  20. Matrix product state calculations for one-dimensional quantum chains and quantum impurity models

    Energy Technology Data Exchange (ETDEWEB)

    Muender, Wolfgang

    2011-09-28

    This thesis contributes to the field of strongly correlated electron systems with studies in two distinct fields thereof: the specific nature of correlations between electrons in one dimension and quantum quenches in quantum impurity problems. In general, strongly correlated systems are characterized in that their physical behaviour needs to be described in terms of a many-body description, i.e. interactions correlate all particles in a complex way. The challenge is that the Hilbert space in a many-body theory is exponentially large in the number of particles. Thus, when no analytic solution is available - which is typically the case - it is necessary to find a way to somehow circumvent the problem of such huge Hilbert spaces. Therefore, the connection between the two studies comes from our numerical treatment: they are tackled by the density matrix renormalization group (DMRG) and the numerical renormalization group (NRG), respectively, both based on matrix product states. The first project presented in this thesis addresses the problem of numerically finding the dominant correlations in quantum lattice models in an unbiased way, i.e. without using prior knowledge of the model at hand. A useful concept for this task is the correlation density matrix (CDM) which contains all correlations between two clusters of lattice sites. We show how to extract from the CDM, a survey of the relative strengths of the system's correlations in different symmetry sectors as well as detailed information on the operators carrying long-range correlations and the spatial dependence of their correlation functions. We demonstrate this by a DMRG study of a one-dimensional spinless extended Hubbard model, while emphasizing that the proposed analysis of the CDM is not restricted to one dimension. The second project presented in this thesis is motivated by two phenomena under ongoing experimental and theoretical investigation in the context of quantum impurity models: optical absorption

  1. Algorithm for calculating synthetic seismograms in a layered half-space with application of matrix impedance

    Science.gov (United States)

    Pavlov, V. M.

    2013-01-01

    A new algorithm is proposed for calculating the complete synthetic seismograms from a point source in the form of the sum of a single force and a dipole with an arbitrary seismic moment tensor in a plane layered medium composed of homogenous elastic isotropic layers. Following the idea of (Alekseev and Mikhailenko, 1978), an artificial cylindrical boundary is introduced, on which the boundary conditions are specified. For this modified problem, the exact solution (in terms of the displacements and stresses on the horizontal plane areal element) in the frequency domain is derived and substantiated. The unknown depth-dependent coefficients form the motion-stress vector, whose components satisfy the known system of ordinary differential equations. This system is solved by the method that involves the matrix impedance and propagator for the vector of motion, as previously suggested by the author in (Pavlov, 2009). In relation to the initial problem, the reflections from the artificial boundary are noise, which, to a certain degree, can be suppressed by selecting a long enough distance to this boundary and owing to the presence of a purely imaginary addition to the frequency. The algorithm is not constrained by the thickness of the layers, is applicable for any frequency range, and is suitable for computing the static offset.

  2. Density-matrix-functional calculations for matter in strong magnetic fields: Ground states of heavy atoms

    DEFF Research Database (Denmark)

    Johnsen, Kristinn; Yngvason, Jakob

    1996-01-01

    We report on a numerical study of the density matrix functional introduced by Lieb, Solovej, and Yngvason for the investigation of heavy atoms in high magnetic fields. This functional describes exactly the quantum mechanical ground state of atoms and ions in the limit when the nuclear charge Z...... and the electron number N tend to infinity with N/Z fixed, and the magnetic field B tends to infinity in such a way that B/Z4/3→∞. We have calculated electronic density profiles and ground-state energies for values of the parameters that prevail on neutron star surfaces and compared them with results obtained...... by other methods. For iron at B=1012 G the ground-state energy differs by less than 2% from the Hartree-Fock value. We have also studied the maximal negative ionization of heavy atoms in this model at various field strengths. In contrast to Thomas-Fermi type theories atoms can bind excess negative charge...

  3. Validity of M-3Y force equivalent G-matrix elements for calculations of the nuclear structure in heavy mass region

    International Nuclear Information System (INIS)

    Cheng Lan; Huang Weizhi; Zhou Baosen

    1996-01-01

    Using the matrix elements of M-3Y force as the equivalent G-matrix elements, the spectra of 210 Pb, 206 Pb, 206 Hg and 210 Po are calculated in the framework of the Folded Diagram Method. The results show that such equivalent matrix elements are suitable for microscopic calculations of the nuclear structure in heavy mass region

  4. An algorithm for mass matrix calculation of internally constrained molecular geometries.

    Science.gov (United States)

    Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

    2008-01-28

    Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model.

  5. An algorithm for mass matrix calculation of internally constrained molecular geometries

    International Nuclear Information System (INIS)

    Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

    2008-01-01

    Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model

  6. Global calculation of PWR reactor core using the two group energy solution by the response matrix method

    International Nuclear Information System (INIS)

    Conti, C.F.S.; Watson, F.V.

    1991-01-01

    A computational code to solve a two energy group neutron diffusion problem has been developed base d on the Response Matrix Method. That method solves the global problem of PWR core, without using the cross sections homogenization process, thus it is equivalent to a pontwise core calculation. The present version of the code calculates the response matrices by the first order perturbative method and considers developments on arbitrary order Fourier series for the boundary fluxes and interior fluxes. (author)

  7. Optical Properties of Biomass Burning Aerosols: Comparison of Experimental Measurements and T-Matrix Calculations

    Directory of Open Access Journals (Sweden)

    Samin Poudel

    2017-11-01

    Full Text Available The refractive index (RI is an important parameter in describing the radiative impacts of aerosols. It is important to constrain the RI of aerosol components, since there is still significant uncertainty regarding the RI of biomass burning aerosols. Experimentally measured extinction cross-sections, scattering cross-sections, and single scattering albedos for white pine biomass burning (BB aerosols under two different burning and sampling conditions were modeled using T-matrix theory. The refractive indices were extracted from these calculations. Experimental measurements were conducted using a cavity ring-down spectrometer to measure the extinction, and a nephelometer to measure the scattering of size-selected aerosols. BB aerosols were obtained by burning white pine using (1 an open fire in a burn drum, where the aerosols were collected in distilled water using an impinger, and then re-aerosolized after several days, and (2 a tube furnace to directly introduce the BB aerosols into an indoor smog chamber, where BB aerosols were then sampled directly. In both cases, filter samples were also collected, and electron microscopy images were used to obtain the morphology and size information used in the T-matrix calculations. The effective radius of the particles collected on filter media from the open fire was approximately 245 nm, whereas it was approximately 76 nm for particles from the tube furnace burns. For samples collected in distilled water, the real part of the RI increased with increasing particle size, and the imaginary part decreased. The imaginary part of the RI was also significantly larger than the reported values for fresh BB aerosol samples. For the particles generated in the tube furnace, the real part of the RI decreased with particle size, and the imaginary part was much smaller and nearly constant. The RI is sensitive to particle size and sampling method, but there was no wavelength dependence over the range considered (500

  8. Mutual Calculations in Creating Accounting Models: A Demonstration of the Power of Matrix Mathematics in Accounting Education

    Science.gov (United States)

    Vysotskaya, Anna; Kolvakh, Oleg; Stoner, Greg

    2016-01-01

    The aim of this paper is to describe the innovative teaching approach used in the Southern Federal University, Russia, to teach accounting via a form of matrix mathematics. It thereby contributes to disseminating the technique of teaching to solve accounting cases using mutual calculations to a worldwide audience. The approach taken in this course…

  9. An approximate method for calculating electron-phonon matrix element of a disordered transition metal and relevant comments on superconductivity

    International Nuclear Information System (INIS)

    Zhang, L.

    1981-08-01

    A method based on the tight-binding approximation is developed to calculate the electron-phonon matrix element for the disordered transition metals. With the method as a basis the experimental Tsub(c) data of the amorphous transition metal superconductors are re-analysed. Some comments on the superconductivity of the disordered materials are given

  10. Validity of the M-3Y force equivalent G-matrix element for the calculations of nuclear structure in the s-d shell

    International Nuclear Information System (INIS)

    Song Hong-qiu; Wang Zixing; Cai Yanhuang; Huang Weizhi

    1987-01-01

    The matrix elements of the M-3Y force are adopted as the equivalent G-matrix elements and the folded diagram method is used to calculate the spectra of 18 O and 18 F. The results show that the matrix elements of the M-3Y force as the equivalent G-matrix elements are suitable for microscopic calculations of the nuclei in the s-d shell

  11. Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensors

    Energy Technology Data Exchange (ETDEWEB)

    Roemelt, Michael, E-mail: michael.roemelt@theochem.rub.de [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, D-44780 Bochum, Germany and Max-Planck Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr (Germany)

    2015-07-28

    Spin Orbit Coupling (SOC) is introduced to molecular ab initio density matrix renormalization group (DMRG) calculations. In the presented scheme, one first approximates the electronic ground state and a number of excited states of the Born-Oppenheimer (BO) Hamiltonian with the aid of the DMRG algorithm. Owing to the spin-adaptation of the algorithm, the total spin S is a good quantum number for these states. After the non-relativistic DMRG calculation is finished, all magnetic sublevels of the calculated states are constructed explicitly, and the SOC operator is expanded in the resulting basis. To this end, spin orbit coupled energies and wavefunctions are obtained as eigenvalues and eigenfunctions of the full Hamiltonian matrix which is composed of the SOC operator matrix and the BO Hamiltonian matrix. This treatment corresponds to a quasi-degenerate perturbation theory approach and can be regarded as the molecular equivalent to atomic Russell-Saunders coupling. For the evaluation of SOC matrix elements, the full Breit-Pauli SOC Hamiltonian is approximated by the widely used spin-orbit mean field operator. This operator allows for an efficient use of the second quantized triplet replacement operators that are readily generated during the non-relativistic DMRG algorithm, together with the Wigner-Eckart theorem. With a set of spin-orbit coupled wavefunctions at hand, the molecular g-tensors are calculated following the scheme proposed by Gerloch and McMeeking. It interprets the effective molecular g-values as the slope of the energy difference between the lowest Kramers pair with respect to the strength of the applied magnetic field. Test calculations on a chemically relevant Mo complex demonstrate the capabilities of the presented method.

  12. Calculation of the Cholesky factor directly from the stiffness matrix of the structural element

    International Nuclear Information System (INIS)

    Prates, C.L.M.; Soriano, H.L.

    1978-01-01

    The analysis of the structures of nuclear power plants requires the evaluation of the internal forces. This is attained by the solution of a system of equations. This solution takes most of the computing time and memory. One of the ways it can be achieved is based on the Cholesky factor. The structural matrix of the coeficients is transformed into an upper triangular matrix by the Cholesky decomposition. Cholesky factor can be obtained directly from the stiffness matrix of the structural element. The result can thus be obtained in a more precise and quick way. (Author)

  13. Hadron matrix elements of quark operators in the relativistic quark model, 2. Model calculation

    Energy Technology Data Exchange (ETDEWEB)

    Arisue, H; Bando, M; Toya, M [Kyoto Univ. (Japan). Dept. of Physics; Sugimoto, H

    1979-11-01

    Phenomenological studies of the matrix elements of two- and four-quark operators are made on the basis of relativistic independent quark model for typical three cases of the potentials: rigid wall, linearly rising and Coulomb-like potentials. The values of the matrix elements of two-quark operators are relatively well reproduced in each case, but those of four-quark operators prove to be too small in the independent particle treatment. It is suggested that the short-range two-quark correlations must be taken into account in order to improve the values of the matrix elements of the four-quark operators.

  14. Program package for calculating matrix elements of two-cluster structures in nuclei

    International Nuclear Information System (INIS)

    Krivec, R.; Mihailovic, M.V.; Kernforschungszentrum Karlsruhe G.m.b.H.

    1982-01-01

    Matrix elements of operators between Slater determinants of two-cluster structures must be expanded into partial waves for the purpose of angular momentum projection. The expansion coefficients contain integrals over the spherical angles theta and phi. (orig.)

  15. Construction of the energy matrix for complex atoms. Part VIII: Hyperfine structure HPC calculations for terbium atom

    Science.gov (United States)

    Elantkowska, Magdalena; Ruczkowski, Jarosław; Sikorski, Andrzej; Dembczyński, Jerzy

    2017-11-01

    A parametric analysis of the hyperfine structure (hfs) for the even parity configurations of atomic terbium (Tb I) is presented in this work. We introduce the complete set of 4fN-core states in our high-performance computing (HPC) calculations. For calculations of the huge hyperfine structure matrix, requiring approximately 5000 hours when run on a single CPU, we propose the methods utilizing a personal computer cluster or, alternatively a cluster of Microsoft Azure virtual machines (VM). These methods give a factor 12 performance boost, enabling the calculations to complete in an acceptable time.

  16. Integral transport multiregion geometrical shadowing factor for the approximate collision probability matrix calculation of infinite closely packed lattices

    International Nuclear Information System (INIS)

    Jowzani-Moghaddam, A.

    1981-01-01

    An integral transport method of calculating the geometrical shadowing factor in multiregion annular cells for infinite closely packed lattices in cylindrical geometry is developed. This analytical method has been programmed in the TPGS code. This method is based upon a consideration of the properties of the integral transport method for a nonuniform body, which together with Bonalumi's approximations allows the determination of the approximate multiregion collision probability matrix for infinite closely packed lattices with sufficient accuracy. The multiregion geometrical shadowing factors have been calculated for variations in fuel pin annular segment rings in a geometry of annular cells. These shadowing factors can then be used in the calculation of neutron transport from one annulus to another in an infinite lattice. The result of this new geometrical shadowing and collision probability matrix are compared with the Dancoff-Ginsburg correction and the probability matrix using constant shadowing on Yankee fuel elements in an infinite lattice. In these cases the Dancoff-Ginsburg correction factor and collision probability matrix using constant shadowing are in difference by at most 6.2% and 6%, respectively

  17. FEMB, 2-D Homogeneous Neutron Diffusion in X-Y Geometry with Keff Calculation, Dyadic Fission Matrix

    International Nuclear Information System (INIS)

    Misfeldt, I.B.

    1987-01-01

    1 - Nature of physical problem solved: The two-dimensional neutron diffusion equation (xy geometry) is solved in the homogeneous form (K eff calculation). The boundary conditions specify each group current as a linear homogeneous function of the group fluxes (gamma matrix concept). For each material, the fission matrix is assumed to be dyadic. 2 - Method of solution: Finite element formulation with Lagrange type elements. Solution technique: SOR with extrapolation. 3 - Restrictions on the complexity of the problem: Maximum order of the Lagrange elements is 6

  18. Efficient Computation of Sparse Matrix Functions for Large-Scale Electronic Structure Calculations: The CheSS Library.

    Science.gov (United States)

    Mohr, Stephan; Dawson, William; Wagner, Michael; Caliste, Damien; Nakajima, Takahito; Genovese, Luigi

    2017-10-10

    We present CheSS, the "Chebyshev Sparse Solvers" library, which has been designed to solve typical problems arising in large-scale electronic structure calculations using localized basis sets. The library is based on a flexible and efficient expansion in terms of Chebyshev polynomials and presently features the calculation of the density matrix, the calculation of matrix powers for arbitrary powers, and the extraction of eigenvalues in a selected interval. CheSS is able to exploit the sparsity of the matrices and scales linearly with respect to the number of nonzero entries, making it well-suited for large-scale calculations. The approach is particularly adapted for setups leading to small spectral widths of the involved matrices and outperforms alternative methods in this regime. By coupling CheSS to the DFT code BigDFT, we show that such a favorable setup is indeed possible in practice. In addition, the approach based on Chebyshev polynomials can be massively parallelized, and CheSS exhibits excellent scaling up to thousands of cores even for relatively small matrix sizes.

  19. Optimizing Sparse Matrix-Multiple Vectors Multiplication for Nuclear Configuration Interaction Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Aktulga, Hasan Metin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Buluc, Aydin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Williams, Samuel [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Yang, Chao [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2014-08-14

    Obtaining highly accurate predictions on the properties of light atomic nuclei using the configuration interaction (CI) approach requires computing a few extremal Eigen pairs of the many-body nuclear Hamiltonian matrix. In the Many-body Fermion Dynamics for nuclei (MFDn) code, a block Eigen solver is used for this purpose. Due to the large size of the sparse matrices involved, a significant fraction of the time spent on the Eigen value computations is associated with the multiplication of a sparse matrix (and the transpose of that matrix) with multiple vectors (SpMM and SpMM-T). Existing implementations of SpMM and SpMM-T significantly underperform expectations. Thus, in this paper, we present and analyze optimized implementations of SpMM and SpMM-T. We base our implementation on the compressed sparse blocks (CSB) matrix format and target systems with multi-core architectures. We develop a performance model that allows us to understand and estimate the performance characteristics of our SpMM kernel implementations, and demonstrate the efficiency of our implementation on a series of real-world matrices extracted from MFDn. In particular, we obtain 3-4 speedup on the requisite operations over good implementations based on the commonly used compressed sparse row (CSR) matrix format. The improvements in the SpMM kernel suggest we may attain roughly a 40% speed up in the overall execution time of the block Eigen solver used in MFDn.

  20. Extending the Matrix Element Method beyond the Born approximation: calculating event weights at next-to-leading order accuracy

    Energy Technology Data Exchange (ETDEWEB)

    Martini, Till; Uwer, Peter [Humboldt-Universität zu Berlin, Institut für Physik,Newtonstraße 15, 12489 Berlin (Germany)

    2015-09-14

    In this article we illustrate how event weights for jet events can be calculated efficiently at next-to-leading order (NLO) accuracy in QCD. This is a crucial prerequisite for the application of the Matrix Element Method in NLO. We modify the recombination procedure used in jet algorithms, to allow a factorisation of the phase space for the real corrections into resolved and unresolved regions. Using an appropriate infrared regulator the latter can be integrated numerically. As illustration, we reproduce differential distributions at NLO for two sample processes. As further application and proof of concept, we apply the Matrix Element Method in NLO accuracy to the mass determination of top quarks produced in e{sup +}e{sup −} annihilation. This analysis is relevant for a future Linear Collider. We observe a significant shift in the extracted mass depending on whether the Matrix Element Method is used in leading or next-to-leading order.

  1. Extending the Matrix Element Method beyond the Born approximation: calculating event weights at next-to-leading order accuracy

    International Nuclear Information System (INIS)

    Martini, Till; Uwer, Peter

    2015-01-01

    In this article we illustrate how event weights for jet events can be calculated efficiently at next-to-leading order (NLO) accuracy in QCD. This is a crucial prerequisite for the application of the Matrix Element Method in NLO. We modify the recombination procedure used in jet algorithms, to allow a factorisation of the phase space for the real corrections into resolved and unresolved regions. Using an appropriate infrared regulator the latter can be integrated numerically. As illustration, we reproduce differential distributions at NLO for two sample processes. As further application and proof of concept, we apply the Matrix Element Method in NLO accuracy to the mass determination of top quarks produced in e"+e"− annihilation. This analysis is relevant for a future Linear Collider. We observe a significant shift in the extracted mass depending on whether the Matrix Element Method is used in leading or next-to-leading order.

  2. R-matrix calculations for electron impact excitation and their application in astrophysical plasmas

    International Nuclear Information System (INIS)

    Liang, G Y; Badnell, N R; Zhao, G; Del Zanna, G; Mason, H E; Storey, P J

    2012-01-01

    The large number of high-resolution spectra routinely recorded in the astrophysical and fusion communities leads to the need for an extensive set of accurate baseline atomic data. The advantages of the intermediate-coupling frame transformation (ICFT) R-matrix method make it feasible to provide excitation data along iso-electronic sequences (Z ≤ 36) at the high level of accuracy afforded by the R-matrix method. The resultant data helps to overcome the longstanding shortcomings in X-ray and EUV astronomy. This is one of the key goals of the UK Atomic Processes for Astrophysical Plasmas (APAP) network.

  3. Syrio. A program for the calculation of the inverse of a matrix

    International Nuclear Information System (INIS)

    Garcia de Viedma Alonso, L.

    1963-01-01

    SYRIO is a code for the inversion of a non-singular square matrix whose order is not higher than 40 for the UNIVAC-UCT (SS-90). The treatment stands from the inversion formula of sherman and Morrison, and following the Herbert S. Wilf's method for special matrices, generalize the procedure to any kind of non-singular square matrices. the limitation of the matrix order is not inherent of the program itself but imposed by the storage capacity of the computer for which it was coded. (Author)

  4. An algorithm for calculation of the Jordan canonical form of a matrix

    Science.gov (United States)

    Sridhar, B.; Jordan, D.

    1973-01-01

    Jordan canonical forms are used extensively in the literature on control systems. However, very few methods are available to compute them numerically. Most numerical methods compute a set of basis vectors in terms of which the given matrix is diagonalized when such a change of basis is possible. Here, a simple and efficient method is suggested for computing the Jordan canonical form and the corresponding transformation matrix. The method is based on the definition of a generalized eigenvector, and a natural extension of Gauss elimination techniques.

  5. One-nucleon removal reactions as a test of overlap functions from the one-body density matrix calculations

    International Nuclear Information System (INIS)

    Dimitrova, S.S.; Gaidarov, M.K.; Antonov, A.N.; Stoitsov, M.V.; Hodgson, P.E; Lukyanov, V.K.; Zemlyanaya, E.V.; Krumova, G.Z.

    1997-01-01

    Overlap functions and spectroscopic factors extracted from a model one-body density matrix (OBDM) accounting for short-range nucleon-nucleon correlations are used to calculate differential cross sections of (p, d) reactions and the momentum distributions of transitions to single-particle states in 16 O and 40 Ca. A comparison between the experimental (p, d) and (e, e'p) data, their DWBA and CDWIA analyses and the OBDM calculations is made. Our theoretical predictions for the spectroscopic factors are compared with the empirically extracted ones. It is shown that the overlap functions obtained within the Jastrow correlation method are applicable to the description of the quantities considered. (author)

  6. Phonon vibrational frequencies of all single-wall carbon nanotubes at the lambda point: reduced matrix calculations.

    Science.gov (United States)

    Wang, Yufang; Wu, Yanzhao; Feng, Min; Wang, Hui; Jin, Qinghua; Ding, Datong; Cao, Xuewei

    2008-12-01

    With a simple method-the reduced matrix method, we simplified the calculation of the phonon vibrational frequencies according to SWNTs structure and their phonon symmetric property and got the dispersion properties of all SWNTs at Gamma point in Brillouin zone, whose diameters lie between 0.6 and 2.5 nm. The calculating time is shrunk about 2-4 orders. A series of the dependent relationships between the diameters of SWNTs and the frequencies of Raman and IR active modes are given. Several fine structures including "glazed tile" structures in omega approximately d figures are found, which might predict a certain macro-quantum phenomenon of the phonons in SWNTs.

  7. Rational calculation accuracy in acousto-optical matrix-vector processor

    Science.gov (United States)

    Oparin, V. V.; Tigin, Dmitry V.

    1994-01-01

    The high speed of parallel computations for a comparatively small-size processor and acceptable power consumption makes the usage of acousto-optic matrix-vector multiplier (AOMVM) attractive for processing of large amounts of information in real time. The limited accuracy of computations is an essential disadvantage of such a processor. The reduced accuracy requirements allow for considerable simplification of the AOMVM architecture and the reduction of the demands on its components.

  8. Application of Higher Order Fission Matrix for Real Variance Estimation in McCARD Monte Carlo Eigenvalue Calculation

    Energy Technology Data Exchange (ETDEWEB)

    Park, Ho Jin [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Shim, Hyung Jin [Seoul National University, Seoul (Korea, Republic of)

    2015-05-15

    In a Monte Carlo (MC) eigenvalue calculation, it is well known that the apparent variance of a local tally such as pin power differs from the real variance considerably. The MC method in eigenvalue calculations uses a power iteration method. In the power iteration method, the fission matrix (FM) and fission source density (FSD) are used as the operator and the solution. The FM is useful to estimate a variance and covariance because the FM can be calculated by a few cycle calculations even at inactive cycle. Recently, S. Carney have implemented the higher order fission matrix (HOFM) capabilities into the MCNP6 MC code in order to apply to extend the perturbation theory to second order. In this study, the HOFM capability by the Hotelling deflation method was implemented into McCARD and used to predict the behavior of a real and apparent SD ratio. In the simple 1D slab problems, the Endo's theoretical model predicts well the real to apparent SD ratio. It was noted that the Endo's theoretical model with the McCARD higher mode FS solutions by the HOFM yields much better the real to apparent SD ratio than that with the analytic solutions. In the near future, the application for a high dominance ratio problem such as BEAVRS benchmark will be conducted.

  9. Quantum Chemical Calculations Using Accelerators: Migrating Matrix Operations to the NVIDIA Kepler GPU and the Intel Xeon Phi.

    Science.gov (United States)

    Leang, Sarom S; Rendell, Alistair P; Gordon, Mark S

    2014-03-11

    Increasingly, modern computer systems comprise a multicore general-purpose processor augmented with a number of special purpose devices or accelerators connected via an external interface such as a PCI bus. The NVIDIA Kepler Graphical Processing Unit (GPU) and the Intel Phi are two examples of such accelerators. Accelerators offer peak performances that can be well above those of the host processor. How to exploit this heterogeneous environment for legacy application codes is not, however, straightforward. This paper considers how matrix operations in typical quantum chemical calculations can be migrated to the GPU and Phi systems. Double precision general matrix multiply operations are endemic in electronic structure calculations, especially methods that include electron correlation, such as density functional theory, second order perturbation theory, and coupled cluster theory. The use of approaches that automatically determine whether to use the host or an accelerator, based on problem size, is explored, with computations that are occurring on the accelerator and/or the host. For data-transfers over PCI-e, the GPU provides the best overall performance for data sizes up to 4096 MB with consistent upload and download rates between 5-5.6 GB/s and 5.4-6.3 GB/s, respectively. The GPU outperforms the Phi for both square and nonsquare matrix multiplications.

  10. Matrix continued-fraction calculation of localization length in disordered systems

    International Nuclear Information System (INIS)

    Pastawski, H.M.; Weisz, J.F.

    1983-01-01

    A Matrix Continued-Fraction method is used to study the localization length of the states at the band center of a two dimensional crystals with disorder given by the Anderson model. It is found that exponentially localized states which scale according to the work of Mac Kinnon and Kramer, becomes weakly localized as the disorder becomes weaker, and there is some critical disorder for which the localization length does not saturate with the width of the strips, this confirms the resuts found by Pichard and Sarma. Weakly localized states are also found in one dimension for w/v [pt

  11. Matrix continued-fraction calculation of localization length in disordered systems

    International Nuclear Information System (INIS)

    Pastawski, H.M.; Weisz, J.F.

    1983-01-01

    A Matrix Continued-Fraction method is used to study the localization length of the states at the band center of a two dimensional crystal with disorder given by the Anderson model. It is found that exponentially localized states, which scale according to the work of Mac Kinnon and Kramer, becomes weakly localized as the disorder becomes weaker, and there is some critical disorder for which the localization length does not saturate with the width of the strips, this confirms the results found by Pichard and Sarma. Weakly localized states are also found in one dimension for w/v [pt

  12. Calculation of the electronic and magnetic structures of 3d impurities in the Hcp Fe matrix

    International Nuclear Information System (INIS)

    Franca, Fernando

    1995-01-01

    In this work we investigate the local magnetic properties and the electronic structure of HCP Fe, as well introducing transition metals atoms 3d (Cs, Ti, Cr, Mn, Co, Ni, Cu, Zn) in HCP iron matrix. We employed the discrete variational method (DVM), which is an orbital molecular method which incorporate the Hartree-Fock-Slater theory and the linear combination of atomic orbitals (LCAO), in the self-consistent charge approximation and the local density approximation of Von Barth and Hedin to the exchange-correlation potential. We used the embedded cluster model to investigate the electronic structure and the local magnetic properties for the central atom of a cluster of 27 atoms immersed in the microcrystal representing the HCP Fe. (author)

  13. Calculation of isotopic mass and energy production by a matrix operator method

    International Nuclear Information System (INIS)

    Lee, C.E.

    1976-08-01

    The Volterra method of the multiplicative integral is used to determine the isotopic density, mass, and energy production in linear systems. The solution method, assumptions, and limitations are discussed. The method allows a rapid accurate calculation of the change in isotopic density, mass, and energy production independent of the magnitude of the time steps, production or decay rates, or flux levels

  14. Conformational study of sarcosine as probed by matrix-isolation FT-IR spectroscopy and molecular orbital calculations

    OpenAIRE

    Gómez-Zavaglia, Andrea; Fausto, R.

    2003-01-01

    Sarcosine (N-methylglycine) has been studied by matrix-isolation FT-IR spectroscopy and molecular orbital calculations undertaken at the DFT/B3LYP and MP2 levels of theory with the 6-311++G(d, p) and 6-31++G(d, p) basis set, respectively. Eleven different conformers were located in the potential energy surface (PES) of sarcosine, with the ASC conformer being the ground conformational state. This form is analogous to the glycine most stable conformer and is characterized by a NH...O= intramole...

  15. LINPACK, Subroutine Library for Linear Equation System Solution and Matrix Calculation

    International Nuclear Information System (INIS)

    Dongarra, J.J.

    1979-01-01

    1 - Description of problem or function: LINPACK is a collection of FORTRAN subroutines which analyze and solve various classes of systems of simultaneous linear algebraic equations. The collection deals with general, banded, symmetric indefinite, symmetric positive definite, triangular, and tridiagonal square matrices, as well as with least squares problems and the QR and singular value decompositions of rectangular matrices. A subroutine-naming convention is employed in which each subroutine name consists of five letters which represent a coded specification (TXXYY) of the computation done by that subroutine. The first letter, T, indicates the matrix data type. Standard FORTRAN allows the use of three such types: S REAL, D DOUBLE PRECISION, and C COMPLEX. In addition, some FORTRAN systems allow a double-precision complex type: Z COMPLEX*16. The second and third letters of the subroutine name, XX, indicate the form of the matrix or its decomposition: GE: General, GB: General band, PO: Positive definite, PP: Positive definite packed, PB: Positive definite band, SI: Symmetric indefinite, SP: Symmetric indefinite packed, HI: Hermitian indefinite, HP: Hermitian indefinite packed, TR: Triangular, GT: General tridiagonal, PT: Positive definite tridiagonal, CH: Cholesky decomposition, QR: Orthogonal-triangular decomposition, SV: Singular value decomposition. The final two letters, YY, indicate the computation done by the particular subroutine: FA: Factor, CO: Factor and estimate condition, SL: Solve, DI: Determinant and/or inverse and/or inertia, DC: Decompose, UD: Update, DD: Down-date, EX Exchange. The following chart shows all the LINPACK subroutines. The initial 'S' in the names may be replaced by D, C or Z and the initial 'C' in the complex-only names may be replaced by a Z. SGE: FA, CO, SL, DI; SGB: FA, CO, SL, DI; SPO: FA, CO, SL, DI; SPP: FA, CO, SL, DI; SPB: FA, CO, SL, DI; SSI: FA, CO, SL, DI; SSP: FA, CO, SL, DI; CHI: FA, CO, SL, DI; CHP: FA, CO, SL, DI; STR

  16. Assessment of source-receptor relationships of aerosols: An integrated forward and backward modeling approach

    Science.gov (United States)

    Kulkarni, Sarika

    This dissertation presents a scientific framework that facilitates enhanced understanding of aerosol source -- receptor (S/R) relationships and their impact on the local, regional and global air quality by employing a complementary suite of modeling methods. The receptor -- oriented Positive Matrix Factorization (PMF) technique is combined with Potential Source Contribution Function (PSCF), a trajectory ensemble model, to characterize sources influencing the aerosols measured at Gosan, Korea during spring 2001. It is found that the episodic dust events originating from desert regions in East Asia (EA) that mix with pollution along the transit path, have a significant and pervasive impact on the air quality of Gosan. The intercontinental and hemispheric transport of aerosols is analyzed by a series of emission perturbation simulations with the Sulfur Transport and dEposition Model (STEM), a regional scale Chemical Transport Model (CTM), evaluated with observations from the 2008 NASA ARCTAS field campaign. This modeling study shows that pollution transport from regions outside North America (NA) contributed ˜ 30 and 20% to NA sulfate and BC surface concentration. This study also identifies aerosols transported from Europe, NA and EA regions as significant contributors to springtime Arctic sulfate and BC. Trajectory ensemble models are combined with source region tagged tracer model output to identify the source regions and possible instances of quasi-lagrangian sampled air masses during the 2006 NASA INTEX-B field campaign. The impact of specific emission sectors from Asia during the INTEX-B period is studied with the STEM model, identifying residential sector as potential target for emission reduction to combat global warming. The output from the STEM model constrained with satellite derived aerosol optical depth and ground based measurements of single scattering albedo via an optimal interpolation assimilation scheme is combined with the PMF technique to

  17. Dirac R -matrix calculations for the electron-impact excitation of neutral tungsten providing noninvasive diagnostics for magnetic confinement fusion

    Science.gov (United States)

    Smyth, R. T.; Ballance, C. P.; Ramsbottom, C. A.; Johnson, C. A.; Ennis, D. A.; Loch, S. D.

    2018-05-01

    Neutral tungsten is the primary candidate as a wall material in the divertor region of the International Thermonuclear Experimental Reactor (ITER). The efficient operation of ITER depends heavily on precise atomic physics calculations for the determination of reliable erosion diagnostics, helping to characterize the influx of tungsten impurities into the core plasma. The following paper presents detailed calculations of the atomic structure of neutral tungsten using the multiconfigurational Dirac-Fock method, drawing comparisons with experimental measurements where available, and includes a critical assessment of existing atomic structure data. We investigate the electron-impact excitation of neutral tungsten using the Dirac R -matrix method, and by employing collisional-radiative models, we benchmark our results with recent Compact Toroidal Hybrid measurements. The resulting comparisons highlight alternative diagnostic lines to the widely used 400.88-nm line.

  18. Response matrix Monte Carlo based on a general geometry local calculation for electron transport

    International Nuclear Information System (INIS)

    Ballinger, C.T.; Rathkopf, J.A.; Martin, W.R.

    1991-01-01

    A Response Matrix Monte Carlo (RMMC) method has been developed for solving electron transport problems. This method was born of the need to have a reliable, computationally efficient transport method for low energy electrons (below a few hundred keV) in all materials. Today, condensed history methods are used which reduce the computation time by modeling the combined effect of many collisions but fail at low energy because of the assumptions required to characterize the electron scattering. Analog Monte Carlo simulations are prohibitively expensive since electrons undergo coulombic scattering with little state change after a collision. The RMMC method attempts to combine the accuracy of an analog Monte Carlo simulation with the speed of the condensed history methods. Like condensed history, the RMMC method uses probability distributions functions (PDFs) to describe the energy and direction of the electron after several collisions. However, unlike the condensed history method the PDFs are based on an analog Monte Carlo simulation over a small region. Condensed history theories require assumptions about the electron scattering to derive the PDFs for direction and energy. Thus the RMMC method samples from PDFs which more accurately represent the electron random walk. Results show good agreement between the RMMC method and analog Monte Carlo. 13 refs., 8 figs

  19. Some features of excited states density matrix calculation and their pairing relations in conjugated systems

    International Nuclear Information System (INIS)

    Giambiagi, M.S. de; Giambiagi, M.

    1982-01-01

    Direct PPP-type calculations of self-consistent (SC) density matrices for excited states are described and the corresponding 'thawn' molecular orbitals (MO) are discussed. Special attention is addressed to particular solutions arising in conjugated systems of a certain symmetry, and to their chemical implications. The U(2) and U(3) algebras are applied respectively to the 4-electron and 6-electron cases: a natural separation of excited states in different cases follows. A simple approach to the convergence problem for excited states is given. The complementarity relations, an alternative formulation of the pairing theorem valid for heteromolecules and non-alternant systems, allow some fruitful experimental applications. Together with the extended pairing relations shown here, they may help to rationalize general trends. (Author) [pt

  20. Self-consistent model calculations of the ordered S-matrix and the cylinder correction

    International Nuclear Information System (INIS)

    Millan, J.

    1977-11-01

    The multiperipheral ordered bootstrap of Rosenzweig and Veneziano is studied by using dual triple Regge couplings exhibiting the required threshold behavior. In the interval -0.5 less than or equal to t less than or equal to 0.8 GeV 2 self-consistent reggeon couplings and propagators are obtained for values of Regge slopes and intercepts consistent with the physical values for the leading natural-parity Regge trajectories. Cylinder effects on planar pole positions and couplings are calculated. By use of an unsymmetrical planar π--rho reggeon loop model, self-consistent solutions are obtained for the unnatural-parity mesons in the interval -0.5 less than or equal to t less than or equal to 0.6 GeV 2 . The effects of other Regge poles being neglected, the model gives a value of the π--eta splitting consistent with experiment. 24 figures, 1 table, 25 references

  1. Self-consistent ab initio Calculations for Photoionization and Electron-Ion Recombination Using the R-Matrix Method

    Science.gov (United States)

    Nahar, S. N.

    2003-01-01

    Most astrophysical plasmas entail a balance between ionization and recombination. We present new results from a unified method for self-consistent and ab initio calculations for the inverse processes of photoionization and (e + ion) recombination. The treatment for (e + ion) recombination subsumes the non-resonant radiative recombination and the resonant dielectronic recombination processes in a unified scheme (S.N. Nahar and A.K. Pradhan, Phys. Rev. A 49, 1816 (1994);H.L. Zhang, S.N. Nahar, and A.K. Pradhan, J.Phys.B, 32,1459 (1999)). Calculations are carried out using the R-matrix method in the close coupling approximation using an identical wavefunction expansion for both processes to ensure self-consistency. The results for photoionization and recombination cross sections may also be compared with state-of-the-art experiments on synchrotron radiation sources for photoionization, and on heavy ion storage rings for recombination. The new experiments display heretofore unprecedented detail in terms of resonances and background cross sections and thereby calibrate the theoretical data precisely. We find a level of agreement between theory and experiment at about 10% for not only the ground state but also the metastable states. The recent experiments therefore verify the estimated accuracy of the vast amount of photoionization data computed under the OP, IP and related works. features. Present work also reports photoionization cross sections including relativistic effects in the Breit-Pauli R-matrix (BPRM) approximation. Detailed features in the calculated cross sections exhibit the missing resonances due to fine structure. Self-consistent datasets for photoionization and recombination have so far been computed for approximately 45 atoms and ions. These are being reported in a continuing series of publications in Astrophysical J. Supplements (e.g. references below). These data will also be available from the electronic database TIPTOPBASE (http://heasarc.gsfc.nasa.gov)

  2. The rigorous stochastic matrix multiplication scheme for the calculations of reduced equilibrium density matrices of open multilevel quantum systems

    International Nuclear Information System (INIS)

    Chen, Xin

    2014-01-01

    Understanding the roles of the temporary and spatial structures of quantum functional noise in open multilevel quantum molecular systems attracts a lot of theoretical interests. I want to establish a rigorous and general framework for functional quantum noises from the constructive and computational perspectives, i.e., how to generate the random trajectories to reproduce the kernel and path ordering of the influence functional with effective Monte Carlo methods for arbitrary spectral densities. This construction approach aims to unify the existing stochastic models to rigorously describe the temporary and spatial structure of Gaussian quantum noises. In this paper, I review the Euclidean imaginary time influence functional and propose the stochastic matrix multiplication scheme to calculate reduced equilibrium density matrices (REDM). In addition, I review and discuss the Feynman-Vernon influence functional according to the Gaussian quadratic integral, particularly its imaginary part which is critical to the rigorous description of the quantum detailed balance. As a result, I establish the conditions under which the influence functional can be interpreted as the average of exponential functional operator over real-valued Gaussian processes for open multilevel quantum systems. I also show the difference between the local and nonlocal phonons within this framework. With the stochastic matrix multiplication scheme, I compare the normalized REDM with the Boltzmann equilibrium distribution for open multilevel quantum systems

  3. Calculation of One-dimensional Forward Modelling of Helicopter-borne Electromagnetic Data and a Sensitivity Matrix Using Fast Hankel Transforms

    Directory of Open Access Journals (Sweden)

    Abolfazl Asadian

    2014-06-01

    Full Text Available The helicopter-borne electromagnetic (HEM frequency-domain exploration method is an airborne electromagnetic (AEM technique that is widely used for vast and rough areas for resistivity imaging. The vast amount of digitized data flowing from the HEM method requires an efficient and accurate inversion algorithm. Generally, the inverse modelling of HEM data in the first step requires a precise and efficient technique provided by a forward modelling algorithm. The exact calculation of the sensitivity matrix or Jacobian is also of the utmost importance. As such, the main objective of this study is to design an efficient algorithm for the forward modelling of HEM frequency-domain data for the configuration of horizontal coplanar (HCP coils using fast Hankel transforms (FHTs. An attempt is also made to use an analytical approach to derive the required equations for the Jacobian matrix. To achieve these goals, an elaborated algorithm for the simultaneous calculation of the forward computation and sensitivity matrix is provided. Finally, using two synthetic models, the accuracy of the calculations of the proposed algorithm is verified. A comparison indicates that the obtained results of forward modelling are highly consistent with those reported in Simon et al. (2009 for a four-layer model. Furthermore, the comparison of the results for the sensitivity matrix for a two-layer model with those obtained from software is being used by the BGR Centre in Germany, showing that the proposed algorithm enjoys a high degree of accuracy in calculating this matrix.

  4. Calculating systems-scale energy efficiency and net energy returns: A bottom-up matrix-based approach

    International Nuclear Information System (INIS)

    Brandt, Adam R.; Dale, Michael; Barnhart, Charles J.

    2013-01-01

    In this paper we expand the work of Brandt and Dale (2011) on ERRs (energy return ratios) such as EROI (energy return on investment). This paper describes a “bottom-up” mathematical formulation which uses matrix-based computations adapted from the LCA (life cycle assessment) literature. The framework allows multiple energy pathways and flexible inclusion of non-energy sectors. This framework is then used to define a variety of ERRs that measure the amount of energy supplied by an energy extraction and processing pathway compared to the amount of energy consumed in producing the energy. ERRs that were previously defined in the literature are cast in our framework for calculation and comparison. For illustration, our framework is applied to include oil production and processing and generation of electricity from PV (photovoltaic) systems. Results show that ERR values will decline as system boundaries expand to include more processes. NERs (net energy return ratios) tend to be lower than GERs (gross energy return ratios). External energy return ratios (such as net external energy return, or NEER (net external energy ratio)) tend to be higher than their equivalent total energy return ratios. - Highlights: • An improved bottom-up mathematical method for computing net energy return metrics is developed. • Our methodology allows arbitrary numbers of interacting processes acting as an energy system. • Our methodology allows much more specific and rigorous definition of energy return ratios such as EROI or NER

  5. A volume of intersection approach for on-the-fly system matrix calculation in 3D PET image reconstruction

    International Nuclear Information System (INIS)

    Lougovski, A; Hofheinz, F; Maus, J; Schramm, G; Will, E; Hoff, J van den

    2014-01-01

    The aim of this study is the evaluation of on-the-fly volume of intersection computation for system’s geometry modelling in 3D PET image reconstruction. For this purpose we propose a simple geometrical model in which the cubic image voxels on the given Cartesian grid are approximated with spheres and the rectangular tubes of response (ToRs) are approximated with cylinders. The model was integrated into a fully 3D list-mode PET reconstruction for performance evaluation. In our model the volume of intersection between a voxel and the ToR is only a function of the impact parameter (the distance between voxel centre to ToR axis) but is independent of the relative orientation of voxel and ToR. This substantially reduces the computational complexity of the system matrix calculation. Based on phantom measurements it was determined that adjusting the diameters of the spherical voxel size and the ToR in such a way that the actual voxel and ToR volumes are conserved leads to the best compromise between high spatial resolution, low noise, and suppression of Gibbs artefacts in the reconstructed images. Phantom as well as clinical datasets from two different PET systems (Siemens ECAT HR + and Philips Ingenuity-TF PET/MR) were processed using the developed and the respective vendor-provided (line of intersection related) reconstruction algorithms. A comparison of the reconstructed images demonstrated very good performance of the new approach. The evaluation showed the respective vendor-provided reconstruction algorithms to possess 34–41% lower resolution compared to the developed one while exhibiting comparable noise levels. Contrary to explicit point spread function modelling our model has a simple straight-forward implementation and it should be easy to integrate into existing reconstruction software, making it competitive to other existing resolution recovery techniques. (paper)

  6. General transfer matrix formalism to calculate DNA-protein-drug binding in gene regulation: application to OR operator of phage lambda.

    Science.gov (United States)

    Teif, Vladimir B

    2007-01-01

    The transfer matrix methodology is proposed as a systematic tool for the statistical-mechanical description of DNA-protein-drug binding involved in gene regulation. We show that a genetic system of several cis-regulatory modules is calculable using this method, considering explicitly the site-overlapping, competitive, cooperative binding of regulatory proteins, their multilayer assembly and DNA looping. In the methodological section, the matrix models are solved for the basic types of short- and long-range interactions between DNA-bound proteins, drugs and nucleosomes. We apply the matrix method to gene regulation at the O(R) operator of phage lambda. The transfer matrix formalism allowed the description of the lambda-switch at a single-nucleotide resolution, taking into account the effects of a range of inter-protein distances. Our calculations confirm previously established roles of the contact CI-Cro-RNAP interactions. Concerning long-range interactions, we show that while the DNA loop between the O(R) and O(L) operators is important at the lysogenic CI concentrations, the interference between the adjacent promoters P(R) and P(RM) becomes more important at small CI concentrations. A large change in the expression pattern may arise in this regime due to anticooperative interactions between DNA-bound RNA polymerases. The applicability of the matrix method to more complex systems is discussed.

  7. A-centres build-up kinetics in the conductive matrix of pulled n-type silicon with calculation of their recharges at defect clusters

    International Nuclear Information System (INIS)

    Dolgolenko, A.P.; Fishchuk, I.I.

    1981-01-01

    Pulled n-Si samples with rho approximately 40 Ωcm are investigated after irradiation with different doses of fast-pile neutrons. It is known that the simple defects are created not only in the conductive matrix but also in the region of the space charge of defect clusters. Then the charge state, for example, of A-centres in the region of the space charge is defined by both, the temperature and the value of the electrostatical potential. If this circumstance is not taken into account the calculation of the conductive volume is not precise enough. In the present paper the temperature dependence of the volume fraction is calculated, in which the space charge of defect clusters occurs, taking into account the recharges of A-centres in the region of the space charge. Using the expression obtained the A-centres build-up kinetics in the conductive matrix of pulled n-type silicon is calculated. (author)

  8. Comparison of Conjugate Gradient Density Matrix Search and Chebyshev Expansion Methods for Avoiding Diagonalization in Large-Scale Electronic Structure Calculations

    Science.gov (United States)

    Bates, Kevin R.; Daniels, Andrew D.; Scuseria, Gustavo E.

    1998-01-01

    We report a comparison of two linear-scaling methods which avoid the diagonalization bottleneck of traditional electronic structure algorithms. The Chebyshev expansion method (CEM) is implemented for carbon tight-binding calculations of large systems and its memory and timing requirements compared to those of our previously implemented conjugate gradient density matrix search (CG-DMS). Benchmark calculations are carried out on icosahedral fullerenes from C60 to C8640 and the linear scaling memory and CPU requirements of the CEM demonstrated. We show that the CPU requisites of the CEM and CG-DMS are similar for calculations with comparable accuracy.

  9. Source-receptor metrology and modeling of trace amounts of atmospheric pollutants

    International Nuclear Information System (INIS)

    Coddeville, P.

    2005-12-01

    This work deals with acid pollution and with its long distance transport using the metrology of trace amounts of pollutants in rural environment and the identification of the emission sources at the origin of acid atmospheric fallouts. Several French and foreign precipitation collectors have been evaluated and tested on the field. The measurement efficiency and limitations of four sampling systems for gas and particulate sulfur, ammonia and nitrous compounds have been evaluated. The limits of methods and the measurement uncertainties have been determined and calculated. A second aspect concerns the development of oriented receptor-type statistical models with the aim of improving the research of emission sources in smaller size areas defined by the cells of a geographical mesh. The construction of these models combines the pollution data of the sites with the informations about the trajectories of air masses. Results are given as probability or concentration fields revealing the areas potentially at the origin of pollutant emissions. Areas with strong pollutant emissions have been detected at the Polish, Czech and German borders and have been identified as responsible of pollution events encountered in Morvan region. Quantitative source-receptor relations have been also established. The different atmospheric transport profiles, their related frequency and concentration have been also evaluated using a dynamical clouds classification of air mass retro-trajectories. Finally, the first medium-term exploitation results (14 years) of precipitation data from measurement stations allow to perfectly identify the different meteorological regimes of the French territory by establishing a relation with the chemical composition of rainfalls. A west-east oriented increase of rainfall acidity is observed over the French territory. The pluviometry of the north-east area being among the highest of France, it generates more important deposits of acidifying compounds. The analysis

  10. Application of source-receptor models to determine source areas of biological components (pollen and butterflies)

    OpenAIRE

    M. Alarcón; M. Àvila; J. Belmonte; C. Stefanescu; R. Izquierdo

    2010-01-01

    The source-receptor models allow the establishment of relationships between a receptor point (sampling point) and the probable source areas (regions of emission) through the association of concentration values at the receptor point with the corresponding atmospheric back-trajectories, and, together with other techniques, to interpret transport phenomena on a synoptic scale. These models are generally used in air pollution studies to determine the areas of origin of chemical compounds measured...

  11. Comment on "Electron impact excitation of N-like ions from the ICFT R-matrix calculation" by HB Wang, G Jiang, XF Li, and ZC He in At. Data Nucl. Data Tables 120 (2018) 373-429

    Science.gov (United States)

    Aggarwal, Kanti M.

    2018-03-01

    The paper "Electron impact excitation of N-like ions from the ICFT R-matrix calculation" by Wang et al. [1] lacks details of calculations, presents only limited data, and has a few anomalies, as listed below.

  12. A large-scale R-matrix calculation for electron-impact excitation of the Ne2 +, O-like ion

    OpenAIRE

    McLaughlin , B M; Lee , Teck-Ghee; Ludlow , J A; Landi , E; Loch , S D; Pindzola , M S; Ballance , C P

    2011-01-01

    Abstract The five J? levels within a np2 or np4 ground state complex provide an excellent testing ground for the comparison of theoretical line ratios with astrophysically observed values, in addition to providing valuable electron temperature and density diagnostics. The low temperature nature of the line ratios ensure that the theoretically derived values are sensitive to the underlying atomic structure and electron-impact excitation rates. Previous R- matrix calculations for the O-like ...

  13. Matrix infrared spectra and electronic structure calculations of the first actinide borylene: FB=ThF(2).

    Science.gov (United States)

    Wang, Xuefeng; Roos, Björn O; Andrews, Lester

    2010-03-14

    Laser-ablated Th atoms react with BF(3) during condensation in excess argon at 6 K to form the first actinide borylene (FB=ThF(2)) and actinide-boron multiple bond. Three new product absorptions in the B-F and Th-F stretching regions of matrix infrared spectra are assigned to FB=ThF(2) from comparison to theoretically predicted vibrational frequencies.

  14. A response matrix method for slab-geometry discrete ordinates adjoint calculations in energy-dependent source-detector problems

    Energy Technology Data Exchange (ETDEWEB)

    Mansur, Ralph S.; Moura, Carlos A., E-mail: ralph@ime.uerj.br, E-mail: demoura@ime.uerj.br [Universidade do Estado do Rio de Janeiro (UERJ), RJ (Brazil). Departamento de Engenharia Mecanica; Barros, Ricardo C., E-mail: rcbarros@pq.cnpq.br [Universidade do Estado do Rio de Janeiro (UERJ), Nova Friburgo, RJ (Brazil). Departamento de Modelagem Computacional

    2017-07-01

    Presented here is an application of the Response Matrix (RM) method for adjoint discrete ordinates (S{sub N}) problems in slab geometry applied to energy-dependent source-detector problems. The adjoint RM method is free from spatial truncation errors, as it generates numerical results for the adjoint angular fluxes in multilayer slabs that agree with the numerical values obtained from the analytical solution of the energy multigroup adjoint SN equations. Numerical results are given for two typical source-detector problems to illustrate the accuracy and the efficiency of the offered RM computer code. (author)

  15. Path integral density matrix dynamics: A method for calculating time-dependent properties in thermal adiabatic and non-adiabatic systems

    International Nuclear Information System (INIS)

    Habershon, Scott

    2013-01-01

    We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency

  16. Path integral density matrix dynamics: a method for calculating time-dependent properties in thermal adiabatic and non-adiabatic systems.

    Science.gov (United States)

    Habershon, Scott

    2013-09-14

    We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency.

  17. Performance Tuning of Fock Matrix and Two-Electron Integral Calculations for NWChem on Leading HPC Platforms

    Energy Technology Data Exchange (ETDEWEB)

    Shan, Hongzhan; Austin, Brian M.; De Jong, Wibe A.; Oliker, Leonid; Wright, Nicholas J.; Apra, Edoardo

    2014-10-01

    Attaining performance in the evaluation of two-electron repulsion integrals and constructing the Fock matrix is of considerable importance to the computational chemistry community. Due to its numerical complexity improving the performance behavior across a variety of leading supercomputing platforms is an increasing challenge due to the significant diversity in high-performance computing architectures. In this paper, we present our successful tuning methodology for these important numerical methods on the Cray XE6, the Cray XC30, the IBM BG/Q, as well as the Intel Xeon Phi. Our optimization schemes leverage key architectural features including vectorization and simultaneous multithreading, and results in speedups of up to 2.5x compared with the original implementation.

  18. Efficient Basis Formulation for (1+1-Dimensional SU(2 Lattice Gauge Theory: Spectral Calculations with Matrix Product States

    Directory of Open Access Journals (Sweden)

    Mari Carmen Bañuls

    2017-11-01

    Full Text Available We propose an explicit formulation of the physical subspace for a (1+1-dimensional SU(2 lattice gauge theory, where the gauge degrees of freedom are integrated out. Our formulation is completely general, and might be potentially suited for the design of future quantum simulators. Additionally, it allows for addressing the theory numerically with matrix product states. We apply this technique to explore the spectral properties of the model and the effect of truncating the gauge degrees of freedom to a small finite dimension. In particular, we determine the scaling exponents for the vector mass. Furthermore, we also compute the entanglement entropy in the ground state and study its scaling towards the continuum limit.

  19. Efficient basis formulation for 1+1 dimensional SU(2) lattice gauge theory. Spectral calculations with matrix product states

    Energy Technology Data Exchange (ETDEWEB)

    Banuls, Mari Carmen; Cirac, J. Ignacio; Kuehn, Stefan [Max-Planck-Institut fuer Quantenoptik (MPQ), Garching (Germany); Cichy, Krzysztof [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik; Adam Mickiewicz Univ., Poznan (Poland). Faculty of Physics; Jansen, Karl [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

    2017-07-20

    We propose an explicit formulation of the physical subspace for a 1+1 dimensional SU(2) lattice gauge theory, where the gauge degrees of freedom are integrated out. Our formulation is completely general, and might be potentially suited for the design of future quantum simulators. Additionally, it allows for addressing the theory numerically with matrix product states. We apply this technique to explore the spectral properties of the model and the effect of truncating the gauge degrees of freedom to a small finite dimension. In particular, we determine the scaling exponents for the vector mass. Furthermore, we also compute the entanglement entropy in the ground state and study its scaling towards the continuum limit.

  20. Efficient basis formulation for 1+1 dimensional SU(2) lattice gauge theory. Spectral calculations with matrix product states

    International Nuclear Information System (INIS)

    Banuls, Mari Carmen; Cirac, J. Ignacio; Kuehn, Stefan; Cichy, Krzysztof; Adam Mickiewicz Univ., Poznan; Jansen, Karl

    2017-01-01

    We propose an explicit formulation of the physical subspace for a 1+1 dimensional SU(2) lattice gauge theory, where the gauge degrees of freedom are integrated out. Our formulation is completely general, and might be potentially suited for the design of future quantum simulators. Additionally, it allows for addressing the theory numerically with matrix product states. We apply this technique to explore the spectral properties of the model and the effect of truncating the gauge degrees of freedom to a small finite dimension. In particular, we determine the scaling exponents for the vector mass. Furthermore, we also compute the entanglement entropy in the ground state and study its scaling towards the continuum limit.

  1. Efficient Basis Formulation for (1 +1 )-Dimensional SU(2) Lattice Gauge Theory: Spectral Calculations with Matrix Product States

    Science.gov (United States)

    Bañuls, Mari Carmen; Cichy, Krzysztof; Cirac, J. Ignacio; Jansen, Karl; Kühn, Stefan

    2017-10-01

    We propose an explicit formulation of the physical subspace for a (1 +1 )-dimensional SU(2) lattice gauge theory, where the gauge degrees of freedom are integrated out. Our formulation is completely general, and might be potentially suited for the design of future quantum simulators. Additionally, it allows for addressing the theory numerically with matrix product states. We apply this technique to explore the spectral properties of the model and the effect of truncating the gauge degrees of freedom to a small finite dimension. In particular, we determine the scaling exponents for the vector mass. Furthermore, we also compute the entanglement entropy in the ground state and study its scaling towards the continuum limit.

  2. Source-receptor probability of atmospheric long-distance dispersal of viruses to Israel from the eastern Mediterranean area.

    Science.gov (United States)

    Klausner, Z; Klement, E; Fattal, E

    2018-02-01

    Viruses that affect the health of humans and farm animals can spread over long distances via atmospheric mechanisms. The phenomenon of atmospheric long-distance dispersal (LDD) is associated with severe consequences because it may introduce pathogens into new areas. The introduction of new pathogens to Israel was attributed to LDD events numerous times. This provided the motivation for this study which is aimed to identify all the locations in the eastern Mediterranean that may serve as sources for pathogen incursion into Israel via LDD. This aim was achieved by calculating source-receptor relationship probability maps. These maps describe the probability that an infected vector or viral aerosol, once airborne, will have an atmospheric route that can transport it to a distant location. The resultant probability maps demonstrate a seasonal tendency in the probability of specific areas to serve as sources for pathogen LDD into Israel. Specifically, Cyprus' season is the summer; southern Turkey and the Greek islands of Crete, Karpathos and Rhodes are associated with spring and summer; lower Egypt and Jordan may serve as sources all year round, except the summer months. The method used in this study can easily be implemented to any other geographic region. The importance of this study is the ability to provide a climatologically valid and accurate risk assessment tool to support long-term decisions regarding preparatory actions for future outbreaks long before a specific outbreak occurs. © 2017 Blackwell Verlag GmbH.

  3. Accelerator-driven sub-critical research facility with low-enriched fuel in lead matrix: Neutron flux calculation

    Directory of Open Access Journals (Sweden)

    Avramović Ivana

    2007-01-01

    Full Text Available The H5B is a concept of an accelerator-driven sub-critical research facility (ADSRF being developed over the last couple of years at the Vinča Institute of Nuclear Sciences, Belgrade, Serbia. Using well-known computer codes, the MCNPX and MCNP, this paper deals with the results of a tar get study and neutron flux calculations in the sub-critical core. The neutron source is generated by an interaction of a proton or deuteron beam with the target placed inside the sub-critical core. The results of the total neutron flux density escaping the target and calculations of neutron yields for different target materials are also given here. Neutrons escaping the target volume with the group spectra (first step are used to specify a neutron source for further numerical simulations of the neutron flux density in the sub-critical core (second step. The results of the calculations of the neutron effective multiplication factor keff and neutron generation time L for the ADSRF model have also been presented. Neutron spectra calculations for an ADSRF with an uranium tar get (highest values of the neutron yield for the selected sub-critical core cells for both beams have also been presented in this paper.

  4. Structure of 14C via elastic and inelastic neutron scattering from 13C: Measurement, R-matrix analysis, and shell model calculations

    International Nuclear Information System (INIS)

    Resler, D.A.

    1987-03-01

    The specific purpose of this work is to provide a better understanding of the 14 C level structure; the general purpose is to provide the details for using shell model calculations in R-matrix analyses. Using the TOF facilities of the Ohio University Accelerator Laboratory, the elastic and first 3 inelastic differential scattering cross sections for 13 C + n were measured at 69 energies for 4.5 ≤ E/sub n/ ≤ 11 MeV. A multiple scattering code was developed which provided a simulation of the experimental scattering process allowing accurate corrections to the small inelastic data. The integrated 13 C(n,α) 10 Be cross section is estimated. The sequential 2n-decay of 14 C states populated by 13 C + n was observed. A shell model code was developed. Normal and nonnormal parity calculations were made for the lithium isotopes using a new two-body interaction. The results for 5 Li predict the 2s/sub 1/2/ and 1d/sub 5/2/ single-particle states to be located below the 3/2 + state. Similar calculations were made for 13 C, 13 N, and 14 C. Results for 13 C and 13 N show for E/sub x/ 7 Li and 14 C, 2 h-barω calculations were done. Shell model calculations generated the R-matrix parameters for the elastic and first 3 inelastic channels of 13 C + n. After adjusting some energies, the predicted structure generally agrees with experiment for E/sub n/ 13 C + n data were refit to replace R 0 background terms by more realistic broad states and to get better agreement with model calculations. R-matrix fitting of the full data set produced new 14 C level information. For E/sub n/ > 4 MeV (E/sub x/ > 12 MeV), 5 states are given definite J/sup π/ assignments; 3, tentative assignments. 122 refs., 91 figs., 30 tabs

  5. Calculation of contraction stresses in dental composites by analysis of crack propagation in the matrix surrounding a cavity.

    Science.gov (United States)

    Yamamoto, Takatsugu; Ferracane, Jack L; Sakaguchi, Ronald L; Swain, Michael V

    2009-04-01

    Polymerization contraction of dental composite produces a stress field in the bonded surrounding substrate that may be capable of propagating cracks from pre-existing flaws. The objectives of this study were to assess the extent of crack propagation from flaws in the surrounding ceramic substrate caused by composite contraction stresses, and to propose a method to calculate the contraction stress in the ceramic using indentation fracture. Initial cracks were introduced with a Vickers indenter near a cylindrical hole drilled into a glass-ceramic simulating enamel. Lengths of the radial indentation cracks were measured. Three composites having different contraction stresses were cured within the hole using one- or two-step light-activation methods and the crack lengths were measured. The contraction stress in the ceramic was calculated from the crack length and the fracture toughness of the glass-ceramic. Interfacial gaps between the composite and the ceramic were expressed as the ratio of the gap length to the hole perimeter, as well as the maximum gap width. All groups revealed crack propagation and the formation of contraction gaps. The calculated contraction stresses ranged from 4.2 MPa to 7.0 MPa. There was no correlation between the stress values and the contraction gaps. This method for calculating the stresses produced by composites is a relatively simple technique requiring a conventional hardness tester. The method can investigate two clinical phenomena that may occur during the placement of composite restorations, i.e. simulated enamel cracking near the margins and the formation of contraction gaps.

  6. Matrix-algebra-based calculations of the time evolution of the binary spin-bath model for magnetization transfer.

    Science.gov (United States)

    Müller, Dirk K; Pampel, André; Möller, Harald E

    2013-05-01

    Quantification of magnetization-transfer (MT) experiments are typically based on the assumption of the binary spin-bath model. This model allows for the extraction of up to six parameters (relative pool sizes, relaxation times, and exchange rate constants) for the characterization of macromolecules, which are coupled via exchange processes to the water in tissues. Here, an approach is presented for estimating MT parameters acquired with arbitrary saturation schemes and imaging pulse sequences. It uses matrix algebra to solve the Bloch-McConnell equations without unwarranted simplifications, such as assuming steady-state conditions for pulsed saturation schemes or neglecting imaging pulses. The algorithm achieves sufficient efficiency for voxel-by-voxel MT parameter estimations by using a polynomial interpolation technique. Simulations, as well as experiments in agar gels with continuous-wave and pulsed MT preparation, were performed for validation and for assessing approximations in previous modeling approaches. In vivo experiments in the normal human brain yielded results that were consistent with published data. Copyright © 2013 Elsevier Inc. All rights reserved.

  7. Matrix calculus

    CERN Document Server

    Bodewig, E

    1959-01-01

    Matrix Calculus, Second Revised and Enlarged Edition focuses on systematic calculation with the building blocks of a matrix and rows and columns, shunning the use of individual elements. The publication first offers information on vectors, matrices, further applications, measures of the magnitude of a matrix, and forms. The text then examines eigenvalues and exact solutions, including the characteristic equation, eigenrows, extremum properties of the eigenvalues, bounds for the eigenvalues, elementary divisors, and bounds for the determinant. The text ponders on approximate solutions, as well

  8. Conformational and structural analysis of 2-allyl-1,2-benzisothiazol-3(2 H)-one 1,1-dioxide as probed by matrix-isolation spectroscopy and quantum chemical calculations

    Science.gov (United States)

    Gómez-Zavaglia, Andrea; Kaczor, Agnieszka; Coelho, Daniela; Cristiano, M. Lurdes S.; Fausto, Rui

    2009-02-01

    2-Allyl-1,2-benzisothiazol-3(2 H)-one 1,1-dioxide (ABIOD) has been studied by matrix-isolation infrared spectroscopy and quantum chemical calculations. A conformational search on the B3LYP/6 -311++G(3df,3pd) potential energy surface of the molecule demonstrated the existence of three conformers, Sk, Sk' and C, with similar energies, differing in the orientation of the allyl group. The calculations predicted the Sk form as the most stable in the gaseous phase, whereas the Sk' and C conformers have calculated relative energies of ca. 0.6 and 0.8-3.0 kJ mol -1, respectively (depending on the level of theory). In agreement with the relatively large (>6 kJ mol -1) calculated barriers for conformational interconversion, the three conformers could be efficiently trapped in an argon matrix at 10 K, the experimental infrared spectrum of the as-deposited matrix fitting well the simulated spectrum built from the calculated spectra for individual conformers scaled by their predicted populations at the temperature of the vapour of the compound prior to matrix deposition. Upon annealing the matrix at 24 K, however, both Sk and Sk' conformers were found to convert to the more polar C conformer, indicating that this latter form becomes the most stable ABIOD conformer in the argon matrix.

  9. High and low oxidation states and special bonding situations. An investigation of f-elements, xenon and fluorine by matrix-isolation spectroscopy and quantum-chemical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Vent-Schmidt, Thomas

    2015-11-30

    During this thesis, the matrix-isolation technique in conjuction with quantum-chemical calculations has been employed in order to synthesize and characterize new compounds. The focus of the study were new species of the actinide and lanthanide series, but the photochemistry of XeO{sub 4} and the polyfluorides were also investigated. Based on the experience of laser ablated uranium and thorium atoms with H{sub 2} and F{sub 2} the reaction of these actinide atoms with HF has been investigated. The main products in these experiments are HThF and HUF which contain an actinide metal in the rather scarce +II oxidation state. In addition, the deuterated compounds have also been prepared and the isotopic shifts support the assignment. The higher hydride fluorides of thorium such as HThF{sub 3}, H{sub 2}ThF{sub 2} and H{sub 3}ThF have also been observed, whereas there is only little evidence for higher uranium hydride fluorides. The different behavior of the two metals under similar reaction conditions has been investigated theoretically. Besides the hydride fluorides, the reaction of the actinide atoms with HF gives also rise to the low valent fluorides and hydrides such as AnH and AnF (An = U, Th). These compounds have already been identified in experiments using fluorine or hydrogen as reagent, but a more reliable assignment can be made in these experiments due to the lower concentration of H or F. In addition, ThF{sub 2} has been observed in these experiments and there is evidence for the unknown difluoride of uranium, which will be addressed in a future paper. Experiments with laser ablated uranium and thorium atoms were extended to the reaction of these metals with H{sub 2}Se. Previous experiments using H{sub 2}O and H{sub 2}S instead of H{sub 2}Se yielded H{sub 2}AnX (An = U, Th; X = O, S) compounds which show evidence for an actinide-chalcogenide multiple bond. The new synthesized species H{sub 2}ThSe and H{sub 2}USe are characterized by their symmetric and

  10. Burn-up calculation of different thorium-based fuel matrixes in a thermal research reactor using MCNPX 2.6 code

    Directory of Open Access Journals (Sweden)

    Gholamzadeh Zohreh

    2014-12-01

    Full Text Available Decrease of the economically accessible uranium resources and the inherent proliferation resistance of thorium fuel motivate its application in nuclear power systems. Estimation of the nuclear reactor’s neutronic parameters during different operational situations is of key importance for the safe operation of nuclear reactors. In the present research, thorium oxide fuel burn-up calculations for a demonstrative model of a heavy water- -cooled reactor have been performed using MCNPX 2.6 code. Neutronic parameters for three different thorium fuel matrices loaded separately in the modelled thermal core have been investigated. 233U, 235U and 239Pu isotopes have been used as fissile element in the thorium oxide fuel, separately. Burn-up of three different fuels has been calculated at 1 MW constant power. 135X and 149Sm concentration variations have been studied in the modelled core during 165 days burn-up. Burn-up of thorium oxide enriched with 233U resulted in the least 149Sm and 135Xe productions and net fissile production of 233U after 165 days. The negative fuel, coolant and void reactivity of the used fuel assures safe operation of the modelled thermal core containing (233U-Th O2 matrix. Furthermore, utilisation of thorium breeder fuel demonstrates several advantages, such as good neutronic economy, 233U production and less production of long-lived α emitter high radiotoxic wastes in biological internal exposure point of view

  11. FADDEEV: A fortran code for the calculation of the frequency response matrix of multiple-input, multiple-output dynamic systems

    International Nuclear Information System (INIS)

    Owens, D.H.

    1972-06-01

    The KDF9/EGDON programme FADDEEV has been written to investigate a technique for the calculation of the matrix of frequency responses G(jw) describing the response of the output vector y from the multivariable differential/algebraic system S to the drive of the system input vector u. S: Ex = Ax + Bu, y = Cx, G(jw) = C(jw E - A ) -1 B. The programme uses an algorithm due to Faddeev and has been written with emphasis upon: (a) simplicity of programme structure and computational technique which should enable a user to find his way through the programme fairly easily, and hence facilitate its manipulation as a subroutine in a larger code; (b) rapid computational ability, particularly in systems with fairly large number of inputs and outputs and requiring the evaluation of the frequency responses at a large number of frequencies. Transport or time delays must be converted by the user to Pade or Bode approximations prior to input. Conditions under which the algorithm fails to give accurate results are identified, and methods for increasing the accuracy of the calculations are discussed. The conditions for accurate results using FADDEEV indicate that its application is specialized. (author)

  12. Source-receptor relationships for atmospheric mercury in urban Detroit, Michigan

    Science.gov (United States)

    Lynam, Mary M.; Keeler, Gerald J.

    Speciated hourly mercury measurements were made in Detroit, Michigan during four sampling campaigns from 2000 to 2002. In addition, other chemical and meteorological parameters were measured concurrently. These data were analyzed using principal components analysis (PCA) in order to develop source receptor relationships for mercury species in urban Detroit. Reactive gaseous mercury (RGM) was found to cluster on two main factors; photochemistry and a coal combustion factor. Particulate phase mercury, Hg p, tended to cluster with RGM on the same factor. The photochemistry factor corroborates previous observations of the presence of RGM in highly oxidizing atmospheres and does not point to a specific source emission type. Instead, it likely represents local emissions and regional transport of photochemically processed air masses. The coal combustion factor is indicative of emissions from coal-fired power plants near the receptor site. Elemental mercury was found on a factor for combustion from automobiles and points to the influence these emissions have on the receptor site, which was located proximate to two major interstate highways and the largest border crossing in the United States. This analysis reveals that the receptor site which is located in an industrialized sector of the city of Detroit experienced impacts from both stationary and point sources of mercury that are both local and regional in nature.

  13. Using air quality modeling to study source-receptor relationships between nitrogen oxides emissions and ozone exposures over the United States.

    Science.gov (United States)

    Tong, Daniel Q; Muller, Nicholas Z; Kan, Haidong; Mendelsohn, Robert O

    2009-11-01

    Human exposure to ambient ozone (O(3)) has been linked to a variety of adverse health effects. The ozone level at a location is contributed by local production, regional transport, and background ozone. This study combines detailed emission inventory, air quality modeling, and census data to investigate the source-receptor relationships between nitrogen oxides (NO(x)) emissions and population exposure to ambient O(3) in 48 states over the continental United States. By removing NO(x) emissions from each state one at a time, we calculate the change in O(3) exposures by examining the difference between the base and the sensitivity simulations. Based on the 49 simulations, we construct state-level and census region-level source-receptor matrices describing the relationships among these states/regions. We find that, for 43 receptor states, cumulative NO(x) emissions from upwind states contribute more to O(3) exposures than the state's own emissions. In-state emissions are responsible for less than 15% of O(3) exposures in 90% of U.S. states. A state's NO(x) emissions can influence 2 to 40 downwind states by at least a 0.1 ppbv change in population-averaged O(3) exposure. The results suggest that the U.S. generally needs a regional strategy to effectively reduce O(3) exposures. But the current regional emission control program in the U.S. is a cap-and-trade program that assumes the marginal damage of every ton of NO(x) is equal. In this study, the average O(3) exposures caused by one ton of NO(x) emissions ranges from -2.0 to 2.3 ppm-people-hours depending on the state. The actual damage caused by one ton of NO(x) emissions varies considerably over space.

  14. Developing a source-receptor methodology for the characterization of VOC sources in ambient air

    International Nuclear Information System (INIS)

    Borbon, A.; Badol, C.; Locoge, N.

    2005-01-01

    Since 2001, in France, a continuous monitoring of about thirty ozone precursor non-methane hydrocarbons (NMHC) is led in some urban areas. The automated system for NMHC monitoring consists of sub-ambient preconcentration on a cooled multi-sorbent trap followed by thermal desorption and bidimensional Gas Chromatography/Flame Ionisation Detection analysis.The great number of data collected and their exploitation should provide a qualitative and quantitative assessment of hydrocarbon sources. This should help in the definition of relevant strategies of emission regulation as stated by the European Directive relative to ozone in ambient air (2002/3/EC). The purpose of this work is to present the bases and the contributions of an original methodology known as source-receptor in the characterization of NMHC sources. It is a statistical and diagnostic approach, adaptable and transposable in all urban sites, which integrates the spatial and temporal dynamics of the emissions. The methods for source identification combine descriptive or more complex complementary approaches: 1) univariate approach through the analysis of NMHC time series and concentration roses, 2) bivariate approach through a Graphical Ratio Analysis and a characterization of scatterplot distributions of hydrocarbon pairs, 3) multivariate approach with Principal Component Analyses on various time basis. A linear regression model is finally developed to estimate the spatial and temporal source contributions. Apart from vehicle exhaust emissions, sources of interest are: combustion and fossil fuel-related activities, petrol and/or solvent evaporation, the double anthropogenic and biogenic origin of isoprene and other industrial activities depending on local parameters. (author)

  15. Atmospheric Aerosol Source-Receptor Relationships: The Role of Coal-Fired Power Plants

    Energy Technology Data Exchange (ETDEWEB)

    Allen L. Robinson; Spyros N. Pandis; Cliff I. Davidson

    2005-12-01

    This report describes the technical progress made on the Pittsburgh Air Quality Study (PAQS) during the period of March 2005 through August 2005. Significant progress was made this project period on the source characterization, source apportionment, and deterministic modeling activities. This report highlights new data on road dust, vegetative detritus and motor vehicle emissions. For example, the results show significant differences in the composition in urban and rural road dust. A comparison of the organic of the fine particulate matter in the tunnel with the ambient provides clear evidence of the significant contribution of vehicle emissions to ambient PM. The source profiles developed from this work are being used by the source-receptor modeling activities. The report presents results on the spatial distribution of PMF-factors. The results can be grouped into three different categories: regional sources, local sources, or potentially both regional and local sources. Examples of the regional sources are the sulfate and selenium PMF-factors which most likely-represent coal fired power plants. Examples of local sources are the specialty steel and lead factors. There is reasonable correspondence between these apportionments and data from the EPA TRI and AIRS emission inventories. Detailed comparisons between PMCAMx predictions and measurements by the STN and IMPROVE measurements in the Eastern US are presented. Comparisons were made for the major aerosol components and PM{sub 2.5} mass in July 2001, October 2001, January 2002, and April 2002. The results are encouraging with average fraction biases for most species less than 0.25. The improvement of the model performance during the last two years was mainly due to the comparison of the model predictions with the continuous measurements in the Pittsburgh Supersite. Major improvements have included the descriptions: of ammonia emissions (CMU inventory), night time nitrate chemistry, EC emissions and their diurnal

  16. Calcul statistique du volume des blocs matriciels d'un gisement fissuré The Statistical Computing of Matrix Block Volume in a Fissured Reservoir

    Directory of Open Access Journals (Sweden)

    Guez F.

    2006-11-01

    Full Text Available La recherche des conditions optimales d'exploitation d'un gisement fissuré repose sur une bonne description de la fissuration. En conséquence il est nécessaire de définir les dimensions et volumes des blocs matriciels en chaque point d'une structure. Or la géométrie du milieu (juxtaposition et formes des blocs est généralement trop complexe pour se prêter au calcul. Aussi, dans une précédente communication, avons-nous dû tourner cette difficulté par un raisonnement sur des moyennes (pendages, azimuts, espacement des fissures qui nous a conduits à un ordre de grandeur des volumes. Cependant un volume moyen ne peut pas rendre compte d'une loi de répartition des volumes des blocs. Or c'est cette répartition qui conditionne le choix d'une ou plusieurs méthodes successives de récupération. Aussi présentons-nous ici une méthode originale de calcul statistique de la loi de distribution des volumes des blocs matriciels, applicable en tout point d'un gisement. La part de gisement concernée par les blocs de volume donné en est déduite. La connaissance générale du phénomène de la fracturation sert de base au modèle. Les observations de subsurface sur la fracturation du gisement en fournissent les données (histogramme d'orientation et d'espacement des fissures.Une application au gisement d'Eschau (Alsace, France est rapportée ici pour illustrer la méthode. The search for optimum production conditions for a fissured reservoir depends on having a good description of the fissure pattern. Hence the sizes and volumes of the matrix blocks must be defined at all points in a structure. However, the geometry of the medium (juxtaposition and shapes of blocks in usually too complex for such computation. This is why, in a previous paper, we got around this problem by reasoning on the bases of averages (clips, azimuths, fissure spacing, and thot led us to an order of magnitude of the volumes. Yet a mean volume cannot be used to explain

  17. New light on the Kr-(4p55s2) Feshbach resonances: high-resolution electron scattering experiments and B-spline R-matrix calculations

    International Nuclear Information System (INIS)

    Hoffmann, T H; Ruf, M-W; Hotop, H; Zatsarinny, O; Bartschat, K; Allan, M

    2010-01-01

    In a joint experimental and theoretical effort, we carried out a detailed study of electron scattering from Kr atoms in the energy range of the low-lying Kr - (4p 5 5s 2 ) Feshbach resonances. Absolute angle-differential cross sections for elastic electron scattering were measured over the energy range 9.3-10.3 eV with an energy width of about 13 meV at scattering angles between 10 deg. and 180 deg. Using several sets of elastic scattering phase shifts, a detailed analysis of the sharp Kr - (4p 5 5s 2 2 P 3/2 ) resonance was carried out, resulting in a resonance width of Γ 3/2 3.6(2) meV. By direct comparison with the position of the Ar - (3p 5 4s 2 2 P 3/2 ) resonance, the energy for the Kr - (4p 5 5s 2 2 P 3/2 ) resonance was determined as E 3/2 = 9.489(3) eV. A Fano-type fit of the higher lying Kr - (4p 5 5s 2 2 P 1/2 ) resonance yielded the resonance parameters Γ 1/2 = 33(5) meV and E 1/2 = 10.126(4) eV. In order to obtain additional insights, B-spline R-matrix calculations were performed for both the elastic and the inelastic cross sections above the threshold for 4p 5 5s excitation. They provide the total and angle-differential cross sections for excitation of long-lived and short-lived levels of the 4p 5 5s configuration in Kr and branching ratios for the decay of the Kr - (4p 5 5s 2 2 P 1/2 ) resonance into the three available exit channels. The results are compared with selected experimental data.

  18. Source-receptor relationships between East Asian sulfur dioxide emissions and Northern Hemisphere sulfate concentrations

    Directory of Open Access Journals (Sweden)

    J. Liu

    2008-07-01

    Full Text Available We analyze the effect of varying East Asian (EA sulfur emissions on sulfate concentrations in the Northern Hemisphere, using a global coupled oxidant-aerosol model (MOZART-2. We conduct a base and five sensitivity simulations, in which sulfur emissions from each continent are tagged, to establish the source-receptor (S-R relationship between EA sulfur emissions and sulfate concentrations over source and downwind regions. We find that from west to east across the North Pacific, EA sulfate contributes approximately 80%–20% of sulfate at the surface, but at least 50% at 500 hPa. Surface sulfate concentrations are dominated by local anthropogenic sources. Of the sulfate produced from sources other than local anthropogenic emissions (defined here as "background" sulfate, EA sources account for approximately 30%–50% (over the Western US and 10%–20% (over the Eastern US. The surface concentrations of sulfate from EA sources over the Western US are highest in MAM (up to 0.15 μg/m3, and lowest in DJF (less than 0.06 μg/m3. Reducing EA SO2 emissions will significantly decrease the spatial extent of the EA sulfate influence (represented by the areas where at least 0.1 μg m−3 of sulfate originates from EA over the North Pacific both at the surface and at 500 hPa in all seasons, but the extent of influence is insensitive to emission increases, particularly in DJF and JJA. We find that EA sulfate concentrations over most downwind regions respond nearly linearly to changes in EA SO2 emissions, but sulfate concentrations over the EA source region increase more slowly than SO2 emissions, particularly at the surface and in winter, due to limited availability of oxidants (in particular of H2O2, which oxidizes SO2 to sulfate in the aqueous phase. We find that similar estimates of the S-R relationship for trans-Pacific transport of EA sulfate would be

  19. Calculating the permeability coefficients of mixed matrix membranes of polydimethylsiloxane and silicalite crystals to various ethanol-water solutions using molecular simulations.

    Science.gov (United States)

    The permeability coefficients of mixed matrix membranes of polydimethylsiloxane (PDMS) and silicalite crystal are taken as the sum of the permeability coefficients of membrane components each weighted by their associated mass fraction. The permeability coefficient of a membrane c...

  20. Molecular Structure, Vibrational Spectra, Quantum Chemical Calculations and Photochemistry of Picolinamide and Isonicotinamide Isolated in Cryogenic Inert Matrixes and in the Neat Low-Temperature Solid Phases

    OpenAIRE

    Borba, Ana; Gómez-Zavaglia, Andrea; Fausto, R.

    2007-01-01

    Picolinamide (PA) and isonicotinamide (INA), two structural isomers of pyridinecarboxamide, have been investigated by matrix isolation and low-temperature solid-state infrared spectroscopy, combined with UV (λ > 235 nm) photoexcitation and density functional theory and ab initio (MP2) theoretical studies. In consonance with the theoretical data, both PA and INA were found to exist in a single conformation in cryogenic rare gas matrixes. Comparison between the experimental spectra of the matri...

  1. Syrio. A program for the calculation of the inverse of a matrix; Syrio. Programa para el calculo de la inversa de una matriz

    Energy Technology Data Exchange (ETDEWEB)

    Garcia de Viedma Alonso, L.

    1963-07-01

    SYRIO is a code for the inversion of a non-singular square matrix whose order is not higher than 40 for the UNIVAC-UCT (SS-90). The treatment stands from the inversion formula of sherman and Morrison, and following the Herbert S. Wilf's method for special matrices, generalize the procedure to any kind of non-singular square matrices. the limitation of the matrix order is not inherent of the program itself but imposed by the storage capacity of the computer for which it was coded. (Author)

  2. Syrio. A program for the calculation of the inverse of a matrix; Syrio. Programa para el calculo de la inversa de una matriz

    Energy Technology Data Exchange (ETDEWEB)

    Garcia de Viedma Alonso, L.

    1963-07-01

    SYRIO is a code for the inversion of a non-singular square matrix whose order is not higher than 40 for the UNIVAC-UCT (SS-90). The treatment stands from the inversion formula of sherman and Morrison, and following the Herbert S. Wilf's method for special matrices, generalize the procedure to any kind of non-singular square matrices. the limitation of the matrix order is not inherent of the program itself but imposed by the storage capacity of the computer for which it was coded. (Author)

  3. A study on the uncertainty based on Meteorological fields on Source-receptor Relationships for Total Nitrate in the Northeast Asia

    Science.gov (United States)

    Sunwoo, Y.; Park, J.; Kim, S.; Ma, Y.; Chang, I.

    2010-12-01

    Northeast Asia hosts more than one third of world population and the emission of pollutants trends to increase rapidly, because of economic growth and the increase of the consumption in high energy intensity. In case of air pollutants, especially, its characteristics of emissions and transportation become issued nationally, in terms of not only environmental aspects, but also long-range transboundary transportation. In meteorological characteristics, westerlies area means what air pollutants that emitted from China can be delivered to South Korea. Therefore, considering meteorological factors can be important to understand air pollution phenomena. In this study, we used MM5(Fifth-Generation Mesoscale Model) and WRF(Weather Research and Forecasting Model) to produce the meteorological fields. We analyzed the feature of physics option in each model and the difference due to characteristic of WRF and MM5. We are trying to analyze the uncertainty of source-receptor relationships for total nitrate according to meteorological fields in the Northeast Asia. We produced the each meteorological fields that apply the same domain, same initial and boundary conditions, the best similar physics option. S-R relationships in terms of amount and fractional number for total nitrate (sum of N from HNO3, nitrate and PAN) were calculated by EMEP method 3.

  4. CALCULATION OF THE PROTON-TRANSFER RATE USING DENSITY-MATRIX EVOLUTION AND MOLECULAR-DYNAMICS SIMULATIONS - INCLUSION OF THE PROTON EXCITED-STATES

    NARCIS (Netherlands)

    MAVRI, J; BERENDSEN, HJC

    1995-01-01

    The methodology for treatment of proton transfer processes by density matrix evolution (DME) with inclusion of many excited states is presented. The DME method (Berendsen, H. J. C.; Mavri, J. J. Phys. Chem. 1993, 97, 13464) that simulates the dynamics of quantum systems embedded in a classical

  5. Multiphonon K/sup π/+ states in even-even deformed nuclei. II. Calculation of matrix elements of a general Hamiltonian

    International Nuclear Information System (INIS)

    Silvestre-Brac, B.; Piepenbring, R.

    1978-01-01

    Matrix elements of a general Hamiltonian H in a subspace spanned by collective K/sup π/+ deformed phonons are derived with the help of recursion formulas. Various approximations are discussed both in the fermion space and in the boson space. Careful comparisons are made in the framework of a simple solvable model

  6. A study of the atmospherically important reactions of dimethylsulfide (DMS) with I2 and ICl using infrared matrix isolation spectroscopy and electronic structure calculations.

    Science.gov (United States)

    Beccaceci, Sonya; Armata, Nerina; Ogden, J Steven; Dyke, John M; Rhyman, Lydia; Ramasami, Ponnadurai

    2012-02-21

    The reactions of dimethylsulfide (DMS) with molecular iodine (I(2)) and iodine monochloride (ICl) have been studied by infrared matrix isolation spectroscopy by co-condensation of the reagents in an inert gas matrix. Molecular adducts of DMS + I(2) and DMS + ICl have also been prepared using standard synthetic methods. The vapour above each of these adducts trapped in an inert gas matrix gave the same infrared spectrum as that recorded for the corresponding co-condensation reaction. In each case, the infrared spectrum has been interpreted in terms of a van der Waals adduct, DMS : I(2) and DMS : ICl, with the aid of infrared spectra computed for their minimum energy structures at the MP2 level. Computed relative energies of minima and transition states on the potential energy surfaces of these reactions were used to understand why they do not proceed further than the reactant complexes DMS : I(2) and DMS : ICl. The main findings of this research are compared with results obtained earlier for the DMS + Cl(2) and DMS + Br(2) reactions, and the atmospheric implications of the conclusions are also considered.

  7. Restricted magnetically balanced basis applied for relativistic calculations of indirect nuclear spin-spin coupling tensors in the matrix Dirac-Kohn-Sham framework

    International Nuclear Information System (INIS)

    Repisky, Michal; Komorovsky, Stanislav; Malkina, Olga L.; Malkin, Vladimir G.

    2009-01-01

    The relativistic four-component density functional approach based on the use of restricted magnetically balanced basis (mDKS-RMB), applied recently for calculations of NMR shielding, was extended for calculations of NMR indirect nuclear spin-spin coupling constants. The unperturbed equations are solved with the use of a restricted kinetically balanced basis set for the small component while to solve the second-order coupled perturbed DKS equations a restricted magnetically balanced basis set for the small component was applied. Benchmark relativistic calculations have been carried out for the X-H and H-H spin-spin coupling constants in the XH 4 series (X = C, Si, Ge, Sn and Pb). The method provides an attractive alternative to existing approximate two-component methods with transformed Hamiltonians for relativistic calculations of spin-spin coupling constants of heavy-atom systems. In particular, no picture-change effects arise in our method for property calculations

  8. Consistent force field modeling of matrix isolated molecules. V. Minimum energy path potential to the conformer conversion of 1,2-difluoroethane: Ar 364, ab initio calculation of electric multipole moments and electric polarization contribution to the conversion barrier

    Science.gov (United States)

    Gunde, R.; Ha, T.-K.; Günthard, H. H.

    1990-08-01

    In this paper results of consistent force field modeling (CFF) of the potential function to conversion of the gauche (g) to the trans (t) conformer of 1,2-difluoroethane (DFE) isolated in an argon matrix will be reported. Starting point are locally stable configurations gDFE:Ar 364 (defect GH1) and tDFE:Ar 364 (TH1) obtained in previous work from CFF modeling of a cube shaped Ar 364 fragment containing one DFE molecule in its center. Using the dihedral angle of DFE as an independent parameter the minimum energy path of the conversion process gDFE:Ar 364→tDFE:Ar 364 will be determined by CFF energy minimization. Determination of the minimum energy path is found to require large numbers of energy minimization steps and to lead to a rather complicated motion of the molecule with respect to the crystal fragment. Surprisingly the molecule-matrix interactions lead to a reduction of the g-t barrier by ≈500 cal/mol and to a stabilization of the trans species by ≈500 cal/mol. This finding is a consequence of a delicate interplay of matrix-molecule and matrix-matrix interactions. Calculation of the electric polarization energy (induced dipole-first-order polarization approximation) is based on extended ab initio calculations of dipole and quadrupole moments and a bond polarizability estimate of the first-order polarizability of DFE as a function of the internal rotation angle, on Fourier expansion of multipole components and use of symmetry for reduction of the order of the linear system defining the (self-consistent) induced dipole moments of all Ar atoms. Electric polarization is found to alter the potential function of the conversion process in a profound way: the g-t barrier and the t-g energy difference are increased to ≈3000 cal/mol and to ≈1500 cal/mol respectively (≈2500 and ≈530 cal/mol respectively for free DFE). Further applications of the technique developed in this work to related problems of matrix isolated molecules, e.g., vibrational matrix

  9. Search for promising compositions for developing new multiphase casting alloys based on Al-Cu-Mg matrix using thermodynamic calculations and mathematic simulation

    Science.gov (United States)

    Zolotorevskii, V. S.; Pozdnyakov, A. V.; Churyumov, A. Yu.

    2012-11-01

    A calculation-experimental study is carried out to improve the concept of searching for new alloying systems in order to develop new casting alloys using mathematical simulation methods in combination with thermodynamic calculations. The results show the high effectiveness of the applied methods. The real possibility of selecting the promising compositions with the required set of casting and mechanical properties is exemplified by alloys with thermally hardened Al-Cu and Al-Cu-Mg matrices, as well as poorly soluble additives that form eutectic components using mainly the calculation study methods and the minimum number of experiments.

  10. Multiphonon states in even-even spherical nuclei. Pt. 2. Calculation of the matrix elements of one and two body operators

    International Nuclear Information System (INIS)

    Piepenbring, R.; Protasov, K.V.; Silvestre-Brac, B.

    1995-01-01

    Matrix elements of one and two body operators, which appear in a general hamiltonian and in electromagnetic transitions are derived in a subspace spanned by multiphonon states. The method is illustrated for a single j-shell, where phonons built with one type of particles are introduced. The eigenvalues obtained within the space spanned by the phonons of lowest angular momentum are compared to those of the full space. In such a method, the Pauli principle is fully and properly taken into account. ((orig.))

  11. The nuclear reaction matrix

    International Nuclear Information System (INIS)

    Krenciglowa, E.M.; Kung, C.L.; Kuo, T.T.S.; Osnes, E.; and Department of Physics, State University of New York at Stony Brook, Stony Brook, New York 11794)

    1976-01-01

    Different definitions of the reaction matrix G appropriate to the calculation of nuclear structure are reviewed and discussed. Qualitative physical arguments are presented in support of a two-step calculation of the G-matrix for finite nuclei. In the first step the high-energy excitations are included using orthogonalized plane-wave intermediate states, and in the second step the low-energy excitations are added in, using harmonic oscillator intermediate states. Accurate calculations of G-matrix elements for nuclear structure calculations in the Aapprox. =18 region are performed following this procedure and treating the Pauli exclusion operator Q 2 /sub p/ by the method of Tsai and Kuo. The treatment of Q 2 /sub p/, the effect of the intermediate-state spectrum and the energy dependence of the reaction matrix are investigated in detail. The present matrix elements are compared with various matrix elements given in the literature. In particular, close agreement is obtained with the matrix elements calculated by Kuo and Brown using approximate methods

  12. Monte Carlo calculation of dosimetric parameters of a {sup 125}I brachytherapy seed encapsulation with biocompatible polymer and a ceramic matrix as radiographic marker

    Energy Technology Data Exchange (ETDEWEB)

    Reis, Lucas P.; Santos, Adriano M.; Grynberg, Suely E., E-mail: lpr@cdtn.b [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil). Lab. de Dosimetria e Simulacao Computacional; Facure, Alessandro, E-mail: facure@cnen.gov.b [Comissao Nacional de Energia Nuclear (CNEN), Rio de Janeiro, RJ (Brazil)

    2011-07-01

    For prostate cancer treatments, there is an increasing interest in the permanent radioactive seeds implant technique. Currently, in Brazil, the seeds are imported at high prices, which prohibit their use in public hospitals. One of the seed models that have been developed at CDTN has a ceramic matrix as a radioisotope carrier and a radiographic marker; the seed is encapsulated with biocompatible polymer. In this work, Monte Carlo simulations were performed in order to assess the dose distributions generated by the prototype seed model. The obtained data was assessed as described in the TG-43U1 report by the AAPM. The dosimetric parameters dose rate constant, {Lambda}, radial dose function, g{sub L}(r), and anisotropy function, F(r,{theta}), were derived from simulations using the MCNP5 code. The function g(r) shows that the seed has a lower decrease in dose rate on its transverse axis when compared to the 6711 model (one of the most used seeds in permanent prostate implants). F(r,{theta}) shows that CDTN's seed anisotropy curves are smoother than the 6711 model curves for {theta}{<=}20 deg and 0.25{<=}r{<=}1 cm. As well, the {Lambda} value is 15% lower than the {Lambda} value of 6711. The results show that CDTN's seed model can deposit a more isotropic dose. Because of the model's characteristics, the seeds can be impregnated with iodine of lower specific activity which would help reducing costs. (author)

  13. A shift in emission time profiles of fossil fuel combustion due to energy transitions impacts source receptor matrices for air quality

    NARCIS (Netherlands)

    Hendriks, C.; Kuenen, J.; Kranenburg, R.; Scholz, Y.; Schaap, M.

    2015-01-01

    Effective air pollution and short-lived climate forcer mitigation strategies can only be designed when the effect of emission reductions on pollutant concentrations and health and ecosystem impacts are quantified. Within integrated assessment modeling source-receptor relationships (SRRs) based on

  14. Matrix theory

    CERN Document Server

    Franklin, Joel N

    2003-01-01

    Mathematically rigorous introduction covers vector and matrix norms, the condition-number of a matrix, positive and irreducible matrices, much more. Only elementary algebra and calculus required. Includes problem-solving exercises. 1968 edition.

  15. Fuzzy vulnerability matrix

    International Nuclear Information System (INIS)

    Baron, Jorge H.; Rivera, S.S.

    2000-01-01

    The so-called vulnerability matrix is used in the evaluation part of the probabilistic safety assessment for a nuclear power plant, during the containment event trees calculations. This matrix is established from what is knows as Numerical Categories for Engineering Judgement. This matrix is usually established with numerical values obtained with traditional arithmetic using the set theory. The representation of this matrix with fuzzy numbers is much more adequate, due to the fact that the Numerical Categories for Engineering Judgement are better represented with linguistic variables, such as 'highly probable', 'probable', 'impossible', etc. In the present paper a methodology to obtain a Fuzzy Vulnerability Matrix is presented, starting from the recommendations on the Numerical Categories for Engineering Judgement. (author)

  16. Source-receptor relationships for speciated atmospheric mercury at the remote Experimental Lakes Area, northwestern Ontario, Canada

    Directory of Open Access Journals (Sweden)

    I. Cheng

    2012-02-01

    Full Text Available Source-receptor relationships for speciated atmospheric mercury measured at the Experimental Lakes Area (ELA, northwestern Ontario, Canada were investigated using various receptor-based approaches. The data used in this study include gaseous elemental mercury (GEM, mercury bound to fine airborne particles (<2.5 μm (PHg, reactive gaseous mercury (RGM, major inorganic ions, sulphur dioxide, nitric acid gas, ozone, and meteorological variables, all of which were measured between May 2005 and December 2006. The source origins identified were related to transport of industrial and combustion emissions (associated with elevated GEM, photochemical production of RGM (associated with elevated RGM, road-salt particles with absorption of gaseous Hg (associated with elevated PHg and RGM, crustal/soil emissions, and background pollution. Back trajectory modelling illustrated that a remote site, like ELA, is affected by distant Hg point sources in Canada and the United States. The sources identified from correlation analysis, principal components analysis and K-means cluster analysis were generally consistent. The discrepancies between the K-means and Hierarchical cluster analysis were the clusters related to transport of industrial/combustion emissions, photochemical production of RGM, and crustal/soil emissions. Although it was possible to assign the clusters to these source origins, the trajectory plots for the Hierarchical clusters were similar to some of the trajectories belonging to several K-means clusters. This likely occurred because the variables indicative of transport of industrial/combustion emissions were elevated in at least two or more of the clusters, which means this Hg source was well-represented in the data.

  17. Phenomenology of the CKM matrix

    International Nuclear Information System (INIS)

    Nir, Y.

    1989-01-01

    The way in which an exact determination of the CKM matrix elements tests the standard Model is demonstrated by a two-generation example. The determination of matrix elements from meson semileptonic decays is explained, with an emphasis on the respective reliability of quark level and meson level calculations. The assumptions involved in the use of loop processes are described. Finally, the state of the art of the knowledge of the CKM matrix is presented. 19 refs., 2 figs

  18. Analytic matrix elements with shifted correlated Gaussians

    DEFF Research Database (Denmark)

    Fedorov, D. V.

    2017-01-01

    Matrix elements between shifted correlated Gaussians of various potentials with several form-factors are calculated analytically. Analytic matrix elements are of importance for the correlated Gaussian method in quantum few-body physics.......Matrix elements between shifted correlated Gaussians of various potentials with several form-factors are calculated analytically. Analytic matrix elements are of importance for the correlated Gaussian method in quantum few-body physics....

  19. q-Virasoro constraints in matrix models

    Energy Technology Data Exchange (ETDEWEB)

    Nedelin, Anton [Dipartimento di Fisica, Università di Milano-Bicocca and INFN, sezione di Milano-Bicocca, Piazza della Scienza 3, I-20126 Milano (Italy); Department of Physics and Astronomy, Uppsala university,Box 516, SE-75120 Uppsala (Sweden); Zabzine, Maxim [Department of Physics and Astronomy, Uppsala university,Box 516, SE-75120 Uppsala (Sweden)

    2017-03-20

    The Virasoro constraints play the important role in the study of matrix models and in understanding of the relation between matrix models and CFTs. Recently the localization calculations in supersymmetric gauge theories produced new families of matrix models and we have very limited knowledge about these matrix models. We concentrate on elliptic generalization of hermitian matrix model which corresponds to calculation of partition function on S{sup 3}×S{sup 1} for vector multiplet. We derive the q-Virasoro constraints for this matrix model. We also observe some interesting algebraic properties of the q-Virasoro algebra.

  20. Complex matrix model duality

    International Nuclear Information System (INIS)

    Brown, T.W.

    2010-11-01

    The same complex matrix model calculates both tachyon scattering for the c=1 non-critical string at the self-dual radius and certain correlation functions of half-BPS operators in N=4 super- Yang-Mills. It is dual to another complex matrix model where the couplings of the first model are encoded in the Kontsevich-like variables of the second. The duality between the theories is mirrored by the duality of their Feynman diagrams. Analogously to the Hermitian Kontsevich- Penner model, the correlation functions of the second model can be written as sums over discrete points in subspaces of the moduli space of punctured Riemann surfaces. (orig.)

  1. Complex matrix model duality

    Energy Technology Data Exchange (ETDEWEB)

    Brown, T.W.

    2010-11-15

    The same complex matrix model calculates both tachyon scattering for the c=1 non-critical string at the self-dual radius and certain correlation functions of half-BPS operators in N=4 super- Yang-Mills. It is dual to another complex matrix model where the couplings of the first model are encoded in the Kontsevich-like variables of the second. The duality between the theories is mirrored by the duality of their Feynman diagrams. Analogously to the Hermitian Kontsevich- Penner model, the correlation functions of the second model can be written as sums over discrete points in subspaces of the moduli space of punctured Riemann surfaces. (orig.)

  2. Matrix thermalization

    International Nuclear Information System (INIS)

    Craps, Ben; Evnin, Oleg; Nguyen, Kévin

    2017-01-01

    Matrix quantum mechanics offers an attractive environment for discussing gravitational holography, in which both sides of the holographic duality are well-defined. Similarly to higher-dimensional implementations of holography, collapsing shell solutions in the gravitational bulk correspond in this setting to thermalization processes in the dual quantum mechanical theory. We construct an explicit, fully nonlinear supergravity solution describing a generic collapsing dilaton shell, specify the holographic renormalization prescriptions necessary for computing the relevant boundary observables, and apply them to evaluating thermalizing two-point correlation functions in the dual matrix theory.

  3. Matrix thermalization

    Science.gov (United States)

    Craps, Ben; Evnin, Oleg; Nguyen, Kévin

    2017-02-01

    Matrix quantum mechanics offers an attractive environment for discussing gravitational holography, in which both sides of the holographic duality are well-defined. Similarly to higher-dimensional implementations of holography, collapsing shell solutions in the gravitational bulk correspond in this setting to thermalization processes in the dual quantum mechanical theory. We construct an explicit, fully nonlinear supergravity solution describing a generic collapsing dilaton shell, specify the holographic renormalization prescriptions necessary for computing the relevant boundary observables, and apply them to evaluating thermalizing two-point correlation functions in the dual matrix theory.

  4. Matrix thermalization

    Energy Technology Data Exchange (ETDEWEB)

    Craps, Ben [Theoretische Natuurkunde, Vrije Universiteit Brussel (VUB), and International Solvay Institutes, Pleinlaan 2, B-1050 Brussels (Belgium); Evnin, Oleg [Department of Physics, Faculty of Science, Chulalongkorn University, Thanon Phayathai, Pathumwan, Bangkok 10330 (Thailand); Theoretische Natuurkunde, Vrije Universiteit Brussel (VUB), and International Solvay Institutes, Pleinlaan 2, B-1050 Brussels (Belgium); Nguyen, Kévin [Theoretische Natuurkunde, Vrije Universiteit Brussel (VUB), and International Solvay Institutes, Pleinlaan 2, B-1050 Brussels (Belgium)

    2017-02-08

    Matrix quantum mechanics offers an attractive environment for discussing gravitational holography, in which both sides of the holographic duality are well-defined. Similarly to higher-dimensional implementations of holography, collapsing shell solutions in the gravitational bulk correspond in this setting to thermalization processes in the dual quantum mechanical theory. We construct an explicit, fully nonlinear supergravity solution describing a generic collapsing dilaton shell, specify the holographic renormalization prescriptions necessary for computing the relevant boundary observables, and apply them to evaluating thermalizing two-point correlation functions in the dual matrix theory.

  5. A shift in emission time profiles of fossil fuel combustion due to energy transitions impacts source receptor matrices for air quality.

    Science.gov (United States)

    Hendriks, Carlijn; Kuenen, Jeroen; Kranenburg, Richard; Scholz, Yvonne; Schaap, Martijn

    2015-03-01

    Effective air pollution and short-lived climate forcer mitigation strategies can only be designed when the effect of emission reductions on pollutant concentrations and health and ecosystem impacts are quantified. Within integrated assessment modeling source-receptor relationships (SRRs) based on chemistry transport modeling are used to this end. Currently, these SRRs are made using invariant emission time profiles. The LOTOS-EUROS model equipped with a source attribution module was used to test this assumption for renewable energy scenarios. Renewable energy availability and thereby fossil fuel back up are strongly dependent on meteorological conditions. We have used the spatially and temporally explicit energy model REMix to derive time profiles for backup power generation. These time profiles were used in LOTOS-EUROS to investigate the effect of emission timing on air pollutant concentrations and SRRs. It is found that the effectiveness of emission reduction in the power sector is significantly lower when accounting for the shift in the way emissions are divided over the year and the correlation of emissions with synoptic situations. The source receptor relationships also changed significantly. This effect was found for both primary and secondary pollutants. Our results indicate that emission timing deserves explicit attention when assessing the impacts of system changes on air quality and climate forcing from short lived substances.

  6. Paths correlation matrix.

    Science.gov (United States)

    Qian, Weixian; Zhou, Xiaojun; Lu, Yingcheng; Xu, Jiang

    2015-09-15

    Both the Jones and Mueller matrices encounter difficulties when physically modeling mixed materials or rough surfaces due to the complexity of light-matter interactions. To address these issues, we derived a matrix called the paths correlation matrix (PCM), which is a probabilistic mixture of Jones matrices of every light propagation path. Because PCM is related to actual light propagation paths, it is well suited for physical modeling. Experiments were performed, and the reflection PCM of a mixture of polypropylene and graphite was measured. The PCM of the mixed sample was accurately decomposed into pure polypropylene's single reflection, pure graphite's single reflection, and depolarization caused by multiple reflections, which is consistent with the theoretical derivation. Reflection parameters of rough surface can be calculated from PCM decomposition, and the results fit well with the theoretical calculations provided by the Fresnel equations. These theoretical and experimental analyses verify that PCM is an efficient way to physically model light-matter interactions.

  7. Matrix inequalities

    CERN Document Server

    Zhan, Xingzhi

    2002-01-01

    The main purpose of this monograph is to report on recent developments in the field of matrix inequalities, with emphasis on useful techniques and ingenious ideas. Among other results this book contains the affirmative solutions of eight conjectures. Many theorems unify or sharpen previous inequalities. The author's aim is to streamline the ideas in the literature. The book can be read by research workers, graduate students and advanced undergraduates.

  8. EISPACK, Subroutines for Eigenvalues, Eigenvectors, Matrix Operations

    International Nuclear Information System (INIS)

    Garbow, Burton S.; Cline, A.K.; Meyering, J.

    1993-01-01

    : Driver subroutine for a nonsym. tridiag. matrix; SVD: Singular value decomposition of rectangular matrix; TINVIT: Find some vectors of sym. tridiag. matrix; TQLRAT: Find all values of sym. tridiag. matrix; TQL1: Find all values of sym. tridiag. matrix; TQL2: Find all values/vectors of sym. tridiag. matrix; TRBAK1: Back transform vectors of matrix formed by TRED1; TRBAK3: Back transform vectors of matrix formed by TRED3; TRED1: Reduce sym. matrix to sym. tridiag. matrix; TRED2: Reduce sym. matrix to sym. tridiag. matrix; TRED3: Reduce sym. packed matrix to sym. tridiag. matrix; TRIDIB: Find some values of sym. tridiag. matrix; TSTURM: Find some values/vectors of sym. tridiag. matrix. 2 - Method of solution: Almost all the algorithms used in EISPACK are based on similarity transformations. Similarity transformations based on orthogonal and unitary matrices are particularly attractive from a numerical point of view because they do not magnify any errors present in the input data or introduced during the computation. Most of the techniques employed are constructive realizations of variants of Schur's theorem, 'Any matrix can be triangularized by a unitary similarity transformation'. It is usually not possible to compute Schur's transformation with a finite number of rational arithmetic operations. Instead, the algorithms employ a potentially infinite sequence of similarity transformations in which the resultant matrix approaches an upper triangular matrix. The sequence is terminated when all of the sub-diagonal elements of the resulting matrix are less than the roundoff errors involved in the computation. The diagonal elements are then the desired approximations to the eigenvalues of the original matrix and the corresponding eigenvectors can be calculated. Special algorithms deal with symmetric matrices. QR, LR, QL, rational QR, bisection QZ, and inverse iteration methods are used

  9. The R-matrix theory

    International Nuclear Information System (INIS)

    Descouvemont, P; Baye, D

    2010-01-01

    The different facets of the R-matrix method are presented pedagogically in a general framework. Two variants have been developed over the years: (i) The 'calculable' R-matrix method is a calculational tool to derive scattering properties from the Schroedinger equation in a large variety of physical problems. It was developed rather independently in atomic and nuclear physics with too little mutual influence. (ii) The 'phenomenological' R-matrix method is a technique to parametrize various types of cross sections. It was mainly (or uniquely) used in nuclear physics. Both directions are explained by starting from the simple problem of scattering by a potential. They are illustrated by simple examples in nuclear and atomic physics. In addition to elastic scattering, the R-matrix formalism is applied to inelastic and radiative-capture reactions. We also present more recent and more ambitious applications of the theory in nuclear physics.

  10. Matrix analysis

    CERN Document Server

    Bhatia, Rajendra

    1997-01-01

    A good part of matrix theory is functional analytic in spirit. This statement can be turned around. There are many problems in operator theory, where most of the complexities and subtleties are present in the finite-dimensional case. My purpose in writing this book is to present a systematic treatment of methods that are useful in the study of such problems. This book is intended for use as a text for upper division and gradu­ ate courses. Courses based on parts of the material have been given by me at the Indian Statistical Institute and at the University of Toronto (in collaboration with Chandler Davis). The book should also be useful as a reference for research workers in linear algebra, operator theory, mathe­ matical physics and numerical analysis. A possible subtitle of this book could be Matrix Inequalities. A reader who works through the book should expect to become proficient in the art of deriving such inequalities. Other authors have compared this art to that of cutting diamonds. One first has to...

  11. Matrix analysis of electrical machinery

    CERN Document Server

    Hancock, N N

    2013-01-01

    Matrix Analysis of Electrical Machinery, Second Edition is a 14-chapter edition that covers the systematic analysis of electrical machinery performance. This edition discusses the principles of various mathematical operations and their application to electrical machinery performance calculations. The introductory chapters deal with the matrix representation of algebraic equations and their application to static electrical networks. The following chapters describe the fundamentals of different transformers and rotating machines and present torque analysis in terms of the currents based on the p

  12. Partially separable t matrix

    International Nuclear Information System (INIS)

    Sasakawa, T.; Okuno, H.; Ishikawa, S.; Sawada, T.

    1982-01-01

    The off-shell t matrix is expressed as a sum of one nonseparable and one separable terms so that it is useful for applications to more-than-two body problems. All poles are involved in this one separable term. Both the nonseparable and the separable terms of the kernel G 0 t are regular at the origin. The nonseparable term of this kernel vanishes at large distances, while the separable term behaves asymptotically as the spherical Hankel function. These properties make our expression free from defects inherent in the Jost or the K-matrix expressions, and many applications are anticipated. As the application, a compact expression of the many-level formula is presented. Also the application is suggested to the breakup threebody problem based on the Faddeev equation. It is demonstrated that the breakup amplitude is expressed in a simple and physically interesting form and we can calculate it in coordinate space

  13. Matrix pentagons

    Science.gov (United States)

    Belitsky, A. V.

    2017-10-01

    The Operator Product Expansion for null polygonal Wilson loop in planar maximally supersymmetric Yang-Mills theory runs systematically in terms of multi-particle pentagon transitions which encode the physics of excitations propagating on the color flux tube ending on the sides of the four-dimensional contour. Their dynamics was unraveled in the past several years and culminated in a complete description of pentagons as an exact function of the 't Hooft coupling. In this paper we provide a solution for the last building block in this program, the SU(4) matrix structure arising from internal symmetry indices of scalars and fermions. This is achieved by a recursive solution of the Mirror and Watson equations obeyed by the so-called singlet pentagons and fixing the form of the twisted component in their tensor decomposition. The non-singlet, or charged, pentagons are deduced from these by a limiting procedure.

  14. Matrix pentagons

    Directory of Open Access Journals (Sweden)

    A.V. Belitsky

    2017-10-01

    Full Text Available The Operator Product Expansion for null polygonal Wilson loop in planar maximally supersymmetric Yang–Mills theory runs systematically in terms of multi-particle pentagon transitions which encode the physics of excitations propagating on the color flux tube ending on the sides of the four-dimensional contour. Their dynamics was unraveled in the past several years and culminated in a complete description of pentagons as an exact function of the 't Hooft coupling. In this paper we provide a solution for the last building block in this program, the SU(4 matrix structure arising from internal symmetry indices of scalars and fermions. This is achieved by a recursive solution of the Mirror and Watson equations obeyed by the so-called singlet pentagons and fixing the form of the twisted component in their tensor decomposition. The non-singlet, or charged, pentagons are deduced from these by a limiting procedure.

  15. Matrix Encryption Scheme

    Directory of Open Access Journals (Sweden)

    Abdelhakim Chillali

    2017-05-01

    Full Text Available In classical cryptography, the Hill cipher is a polygraphic substitution cipher based on linear algebra. In this work, we proposed a new problem applicable to the public key cryptography, based on the Matrices, called “Matrix discrete logarithm problem”, it uses certain elements formed by matrices whose coefficients are elements in a finite field. We have constructed an abelian group and, for the cryptographic part in this unreliable group, we then perform the computation corresponding to the algebraic equations, Returning the encrypted result to a receiver. Upon receipt of the result, the receiver can retrieve the sender’s clear message by performing the inverse calculation.

  16. Matrix string partition function

    CERN Document Server

    Kostov, Ivan K; Kostov, Ivan K.; Vanhove, Pierre

    1998-01-01

    We evaluate quasiclassically the Ramond partition function of Euclidean D=10 U(N) super Yang-Mills theory reduced to a two-dimensional torus. The result can be interpreted in terms of free strings wrapping the space-time torus, as expected from the point of view of Matrix string theory. We demonstrate that, when extrapolated to the ultraviolet limit (small area of the torus), the quasiclassical expressions reproduce exactly the recently obtained expression for the partition of the completely reduced SYM theory, including the overall numerical factor. This is an evidence that our quasiclassical calculation might be exact.

  17. On the atomic shell structure calculation (1)

    International Nuclear Information System (INIS)

    Choe Sun Chol

    1986-01-01

    We have considered the problem of atomic shell structure calculation using operator technique. We introduce reduced matrix elements of annihilation operators according to eg. (4). The normalized basis function is denoted as || ...>. The reduced matrix elements of the pair annihilation operators are expressed throw one-electron matrix elements. Some numerical results are represented and the problem of sign assignment is discussed. (author)

  18. Declination Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Declination is calculated using the current International Geomagnetic Reference Field (IGRF) model. Declination is calculated using the current World Magnetic Model...

  19. Calculation of the electronic and magnetic structures of 3d impurities in the Hcp Fe matrix; Calculo da estrutura eletronica e magnetica de impurezas 3d na matriz do Fe HCP

    Energy Technology Data Exchange (ETDEWEB)

    Franca, Fernando

    1995-12-31

    In this work we investigate the local magnetic properties and the electronic structure of HCP Fe, as well introducing transition metals atoms 3d (Cs, Ti, Cr, Mn, Co, Ni, Cu, Zn) in HCP iron matrix. We employed the discrete variational method (DVM), which is an orbital molecular method which incorporate the Hartree-Fock-Slater theory and the linear combination of atomic orbitals (LCAO), in the self-consistent charge approximation and the local density approximation of Von Barth and Hedin to the exchange-correlation potential. We used the embedded cluster model to investigate the electronic structure and the local magnetic properties for the central atom of a cluster of 27 atoms immersed in the microcrystal representing the HCP Fe. (author) 32 refs., 19 figs., 2 tabs.

  20. Analytic vibrational matrix elements for diatomic molecules

    International Nuclear Information System (INIS)

    Bouanich, J.P.; Ogilvie, J.F.; Tipping, R.H.

    1986-01-01

    The vibrational matrix elements and expectation values for a diatomic molecule, including the rotational dependence, are calculated for powers of the reduced displacement in terms of the parameters of the Dunham potential-energy function. (orig.)

  1. Source-receptor relationships for PM2.5 during typical pollution episodes in the Pearl River Delta city cluster, China

    Science.gov (United States)

    Fan, Q.; Liu, Y.; Hong, Y.; Wang, X.; Chan, P.; Chen, X.; Lai, A.; Wang, M.; Chen, X.

    2017-12-01

    Located in the Southern China monsoon region, pollution days in Pearl River Delta (PRD) were classified into "Western type", "Central type" or "Eastern type", with a relative percentage of 67%, 24% and 9%, respectively. Using this classification system, three typical pollution events were selected for numerical simulations using the WRF-Chem model. The source sensitivity method for anthropogenic emissions of PM2.5 and its precursors was applied to identify the source-receptor relationships for PM2.5 among 9 cities in PRD. For "Western type" case, the PRD region was under control of a high-pressure system with easterly prevailing winds. The PM2.5 concentrations in the western PRD region were higher than those in the eastern region, with emissions from cities in the eastern PRD region having higher contributions. Within the PRD's urban cluster, PM2.5 in Huizhou, Dongguan and Shenzhen was mainly derived from local emissions, whereas the PM2.5 in the other cities was primarily derived from external transport. For "Eastern type" case, the PRD was influenced by Typhoon Soulik with westerly prevailing winds. Emissions from cities in the western PRD region had the highest impacts on the overall PM2.5 concentration. PM2.5 in Jiangmen and Foshan was primarily derived from local emissions. Regarding "Central type" case, the PRD region was under control of a uniform pressure field with low wind speed. PM2.5 concentrations of each city were primarily caused by local emissions. Overall, wind flows played a significant role in the transport and spatial distribution of PM2.5 across the PRD region. Ideally, local governments would be wise to establish joint prevention and control measures to reduce regional atmospheric pollution, especially for "Western type" pollution.

  2. Source apportionment of PM10 and PM2.5 in major urban Greek agglomerations using a hybrid source-receptor modeling process.

    Science.gov (United States)

    Argyropoulos, G; Samara, C; Diapouli, E; Eleftheriadis, K; Papaoikonomou, K; Kungolos, A

    2017-12-01

    A hybrid source-receptor modeling process was assembled, to apportion and infer source locations of PM 10 and PM 2.5 in three heavily-impacted urban areas of Greece, during the warm period of 2011, and the cold period of 2012. The assembled process involved application of an advanced computational procedure, the so-called Robotic Chemical Mass Balance (RCMB) model. Source locations were inferred using two well-established probability functions: (a) the Conditional Probability Function (CPF), to correlate the output of RCMB with local wind directional data, and (b) the Potential Source Contribution Function (PSCF), to correlate the output of RCMB with 72h air-mass back-trajectories, arriving at the receptor sites, during sampling. Regarding CPF, a higher-level conditional probability function was defined as well, from the common locus of CPF sectors derived for neighboring receptor sites. With respect to PSCF, a non-parametric bootstrapping method was applied to discriminate the statistically significant values. RCMB modeling showed that resuspended dust is actually one of the main barriers for attaining the European Union (EU) limit values in Mediterranean urban agglomerations, where the drier climate favors build-up. The shift in the energy mix of Greece (caused by the economic recession) was also evidenced, since biomass burning was found to contribute more significantly to the sampling sites belonging to the coldest climatic zone, particularly during the cold period. The CPF analysis showed that short-range transport of anthropogenic emissions from urban traffic to urban background sites was very likely to have occurred, within all the examined urban agglomerations. The PSCF analysis confirmed that long-range transport of primary and/or secondary aerosols may indeed be possible, even from distances over 1000km away from study areas. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. NLTE steady-state response matrix method.

    Science.gov (United States)

    Faussurier, G.; More, R. M.

    2000-05-01

    A connection between atomic kinetics and non-equilibrium thermodynamics has been recently established by using a collisional-radiative model modified to include line absorption. The calculated net emission can be expressed as a non-local thermodynamic equilibrium (NLTE) symmetric response matrix. In the paper, this connection is extended to both cases of the average-atom model and the Busquet's model (RAdiative-Dependent IOnization Model, RADIOM). The main properties of the response matrix still remain valid. The RADIOM source function found in the literature leads to a diagonal response matrix, stressing the absence of any frequency redistribution among the frequency groups at this order of calculation.

  4. Parallel R-matrix computation

    International Nuclear Information System (INIS)

    Heggarty, J.W.

    1999-06-01

    For almost thirty years, sequential R-matrix computation has been used by atomic physics research groups, from around the world, to model collision phenomena involving the scattering of electrons or positrons with atomic or molecular targets. As considerable progress has been made in the understanding of fundamental scattering processes, new data, obtained from more complex calculations, is of current interest to experimentalists. Performing such calculations, however, places considerable demands on the computational resources to be provided by the target machine, in terms of both processor speed and memory requirement. Indeed, in some instances the computational requirements are so great that the proposed R-matrix calculations are intractable, even when utilising contemporary classic supercomputers. Historically, increases in the computational requirements of R-matrix computation were accommodated by porting the problem codes to a more powerful classic supercomputer. Although this approach has been successful in the past, it is no longer considered to be a satisfactory solution due to the limitations of current (and future) Von Neumann machines. As a consequence, there has been considerable interest in the high performance multicomputers, that have emerged over the last decade which appear to offer the computational resources required by contemporary R-matrix research. Unfortunately, developing codes for these machines is not as simple a task as it was to develop codes for successive classic supercomputers. The difficulty arises from the considerable differences in the computing models that exist between the two types of machine and results in the programming of multicomputers to be widely acknowledged as a difficult, time consuming and error-prone task. Nevertheless, unless parallel R-matrix computation is realised, important theoretical and experimental atomic physics research will continue to be hindered. This thesis describes work that was undertaken in

  5. Ruthenium and osmium carbonyl nitrosyl complexes: Matrix infrared spectra and density functional calculations for M(CO){sub 2}(NO){sub 2} and M(CO)(NO) (M = Ru, Os)

    Energy Technology Data Exchange (ETDEWEB)

    Song, Zhenjun [Department of Chemistry, Tongji University, Shanghai 200092 (China); Wang, Xuefeng, E-mail: xfwang@tongji.edu.cn [Department of Chemistry, Tongji University, Shanghai 200092 (China); Key Laboratory of Yangtze River Water Environment, Ministry of Education, Tongji University (China)

    2012-10-15

    Highlights: Black-Right-Pointing-Pointer Laser-ablated ruthenium or osmium atom reactions with CO and NO mixtures in solid argon. Black-Right-Pointing-Pointer Metal carbonyl nitrosyls including M(CO)(NO) and 18-electron configuration M(CO){sub 2}(NO){sub 2} molecules (M = Ru, Os). Black-Right-Pointing-Pointer The observed absorption bands of reaction products are identified by isotopic substitution and DFT calculations. Black-Right-Pointing-Pointer The bonding and reaction mechanism are discussed in detail. -- Abstract: Laser-ablated ruthenium or osmium atom reactions with CO and NO mixtures in solid argon produce unsaturated metal carbonyl nitrosyls including M(CO)(NO) and 18-electron configuration M(CO){sub 2}(NO){sub 2} molecules (M = Ru, Os). The observed absorption bands of reaction products are identified by isotopic substitution, isotopic ratios and isotopic distributions ({sup 13}CO, {sup 15}NO, and mixtures). DFT (B3LYP and BP86) vibrational fundamental calculations reproduce observed frequencies and isotopic shifts very well. The bonding and reaction mechanism are discussed.

  6. Using an Explicit Emission Tagging Method in Global Modeling of Source-Receptor Relationships for Black Carbon in the Arctic: Variations, Sources and Transport Pathways

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Hailong; Rasch, Philip J.; Easter, Richard C.; Singh, Balwinder; Zhang, Rudong; Ma, Po-Lun; Qian, Yun; Ghan, Steven J.; Beagley, Nathaniel

    2014-11-27

    We introduce an explicit emission tagging technique in the Community Atmosphere Model to quantify source-region-resolved characteristics of black carbon (BC), focusing on the Arctic. Explicit tagging of BC source regions without perturbing the emissions makes it straightforward to establish source-receptor relationships and transport pathways, providing a physically consistent and computationally efficient approach to produce a detailed characterization of the destiny of regional BC emissions and the potential for mitigation actions. Our analysis shows that the contributions of major source regions to the global BC burden are not proportional to the respective emissions due to strong region-dependent removal rates and lifetimes, while the contributions to BC direct radiative forcing show a near-linear dependence on their respective contributions to the burden. Distant sources contribute to BC in remote regions mostly in the mid- and upper troposphere, having much less impact on lower-level concentrations (and deposition) than on burden. Arctic BC concentrations, deposition and source contributions all have strong seasonal variations. Eastern Asia contributes the most to the wintertime Arctic burden. Northern Europe emissions are more important to both surface concentration and deposition in winter than in summer. The largest contribution to Arctic BC in the summer is from Northern Asia. Although local emissions contribute less than 10% to the annual mean BC burden and deposition within the Arctic, the per-emission efficiency is much higher than for major non-Arctic sources. The interannual variability (1996-2005) due to meteorology is small in annual mean BC burden and radiative forcing but is significant in yearly seasonal means over the Arctic. When a slow aging treatment of BC is introduced, the increase of BC lifetime and burden is source-dependent. Global BC forcing-per-burden efficiency also increases primarily due to changes in BC vertical distributions. The

  7. CONTAIN calculations

    International Nuclear Information System (INIS)

    Scholtyssek, W.

    1995-01-01

    In the first phase of a benchmark comparison, the CONTAIN code was used to calculate an assumed EPR accident 'medium-sized leak in the cold leg', especially for the first two days after initiation of the accident. The results for global characteristics compare well with those of FIPLOC, MELCOR and WAVCO calculations, if the same materials data are used as input. However, significant differences show up for local quantities such as flows through leakages. (orig.)

  8. Efficiency criterion for teleportation via channel matrix, measurement matrix and collapsed matrix

    Directory of Open Access Journals (Sweden)

    Xin-Wei Zha

    Full Text Available In this paper, three kinds of coefficient matrixes (channel matrix, measurement matrix, collapsed matrix associated with the pure state for teleportation are presented, the general relation among channel matrix, measurement matrix and collapsed matrix is obtained. In addition, a criterion for judging whether a state can be teleported successfully is given, depending on the relation between the number of parameter of an unknown state and the rank of the collapsed matrix. Keywords: Channel matrix, Measurement matrix, Collapsed matrix, Teleportation

  9. Extended biorthogonal matrix polynomials

    Directory of Open Access Journals (Sweden)

    Ayman Shehata

    2017-01-01

    Full Text Available The pair of biorthogonal matrix polynomials for commutative matrices were first introduced by Varma and Tasdelen in [22]. The main aim of this paper is to extend the properties of the pair of biorthogonal matrix polynomials of Varma and Tasdelen and certain generating matrix functions, finite series, some matrix recurrence relations, several important properties of matrix differential recurrence relations, biorthogonality relations and matrix differential equation for the pair of biorthogonal matrix polynomials J(A,B n (x, k and K(A,B n (x, k are discussed. For the matrix polynomials J(A,B n (x, k, various families of bilinear and bilateral generating matrix functions are constructed in the sequel.

  10. Matrix completion by deep matrix factorization.

    Science.gov (United States)

    Fan, Jicong; Cheng, Jieyu

    2018-02-01

    Conventional methods of matrix completion are linear methods that are not effective in handling data of nonlinear structures. Recently a few researchers attempted to incorporate nonlinear techniques into matrix completion but there still exists considerable limitations. In this paper, a novel method called deep matrix factorization (DMF) is proposed for nonlinear matrix completion. Different from conventional matrix completion methods that are based on linear latent variable models, DMF is on the basis of a nonlinear latent variable model. DMF is formulated as a deep-structure neural network, in which the inputs are the low-dimensional unknown latent variables and the outputs are the partially observed variables. In DMF, the inputs and the parameters of the multilayer neural network are simultaneously optimized to minimize the reconstruction errors for the observed entries. Then the missing entries can be readily recovered by propagating the latent variables to the output layer. DMF is compared with state-of-the-art methods of linear and nonlinear matrix completion in the tasks of toy matrix completion, image inpainting and collaborative filtering. The experimental results verify that DMF is able to provide higher matrix completion accuracy than existing methods do and DMF is applicable to large matrices. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Calculation of Rydberg interaction potentials

    DEFF Research Database (Denmark)

    Weber, Sebastian; Tresp, Christoph; Menke, Henri

    2017-01-01

    for calculating the required electric multipole moments and the inclusion of electromagnetic fields with arbitrary direction. We focus specifically on symmetry arguments and selection rules, which greatly reduce the size of the Hamiltonian matrix, enabling the direct diagonalization of the Hamiltonian up...... to higher multipole orders on a desktop computer. Finally, we present example calculations showing the relevance of the full interaction calculation to current experiments. Our software for calculating Rydberg potentials including all features discussed in this tutorial is available as open source....

  12. Parallel scalability of Hartree-Fock calculations

    Science.gov (United States)

    Chow, Edmond; Liu, Xing; Smelyanskiy, Mikhail; Hammond, Jeff R.

    2015-03-01

    Quantum chemistry is increasingly performed using large cluster computers consisting of multiple interconnected nodes. For a fixed molecular problem, the efficiency of a calculation usually decreases as more nodes are used, due to the cost of communication between the nodes. This paper empirically investigates the parallel scalability of Hartree-Fock calculations. The construction of the Fock matrix and the density matrix calculation are analyzed separately. For the former, we use a parallelization of Fock matrix construction based on a static partitioning of work followed by a work stealing phase. For the latter, we use density matrix purification from the linear scaling methods literature, but without using sparsity. When using large numbers of nodes for moderately sized problems, density matrix computations are network-bandwidth bound, making purification methods potentially faster than eigendecomposition methods.

  13. The Matrix Cookbook

    DEFF Research Database (Denmark)

    Petersen, Kaare Brandt; Pedersen, Michael Syskind

    Matrix identities, relations and approximations. A desktop reference for quick overview of mathematics of matrices.......Matrix identities, relations and approximations. A desktop reference for quick overview of mathematics of matrices....

  14. Carbonate fuel cell matrix

    Science.gov (United States)

    Farooque, Mohammad; Yuh, Chao-Yi

    1996-01-01

    A carbonate fuel cell matrix comprising support particles and crack attenuator particles which are made platelet in shape to increase the resistance of the matrix to through cracking. Also disclosed is a matrix having porous crack attenuator particles and a matrix whose crack attenuator particles have a thermal coefficient of expansion which is significantly different from that of the support particles, and a method of making platelet-shaped crack attenuator particles.

  15. Structure of 12B from measurement and R-matrix analysis of sigma(theta) for 11B(n,n)11B and 11B(n,n')11Bsup(*)(2.12 MeV), and shell-model calculations

    International Nuclear Information System (INIS)

    Koehler, P.E.; Knox, H.D.; Resler, D.A.; Lane, R.O.

    1983-01-01

    Differential cross sections for neutrons, elastically scattered from 11 B and inelastically scattered to the first excited state 11 B*(2.12 MeV) have been measured at 13 incident energies for 4.8 12 B of 7.8 to 10.3 MeV. The cross sections were measured at nine laboratory angles per energy from 20 0 to 160 0 and show considerable resonance structure. Differential inelastic cross sections were also measured for the 4.45 and 5.02 MeV levels of 11 B for 2 to 9 angles at several incident energies. These new elastic and inelastic 2.12 MeV level data have been analyzed together with previously publsihed cross sections for 2 12 B. The shell model was used to calculate states in 12 B as well as spectroscopic amplitudes for reactions leading to these states. The results of this model calculation are compared to those of the R-matrix analysis. Much of the structure observed in the experimental work is predicted by the model for Esub(x) < or approx. 7 MeV. For levels of higher excitation the agreement is not as good. The experimental data are also compared to continuum shell-model calculations. (orig.)

  16. Comparison of electron transmittances and tunneling currents in an anisotropic TiNx/HfO2/SiO2/p-Si(100) metal-oxide-semiconductor (MOS) capacitor calculated using exponential- and Airy-wavefunction approaches and a transfer matrix method

    International Nuclear Information System (INIS)

    Noor, Fatimah A.; Abdullah, Mikrajuddin; Sukirno; Khairurrijal

    2010-01-01

    Analytical expressions of electron transmittance and tunneling current in an anisotropic TiN x /HfO 2 /SiO 2 /p-Si(100) metal-oxide-semiconductor (MOS) capacitor were derived by considering the coupling of transverse and longitudinal energies of an electron. Exponential and Airy wavefunctions were utilized to obtain the electron transmittance and the electron tunneling current. A transfer matrix method, as a numerical approach, was used as a benchmark to assess the analytical approaches. It was found that there is a similarity in the transmittances calculated among exponential- and Airy-wavefunction approaches and the TMM at low electron energies. However, for high energies, only the transmittance calculated by using the Airy-wavefunction approach is the same as that evaluated by the TMM. It was also found that only the tunneling currents calculated by using the Airy-wavefunction approach are the same as those obtained under the TMM for all range of oxide voltages. Therefore, a better analytical description for the tunneling phenomenon in the MOS capacitor is given by the Airy-wavefunction approach. Moreover, the tunneling current density decreases as the titanium concentration of the TiN x metal gate increases because the electron effective mass of TiN x decreases with increasing nitrogen concentration. In addition, the mass anisotropy cannot be neglected because the tunneling currents obtained under the isotropic and anisotropic masses are very different. (semiconductor devices)

  17. Matrix with Prescribed Eigenvectors

    Science.gov (United States)

    Ahmad, Faiz

    2011-01-01

    It is a routine matter for undergraduates to find eigenvalues and eigenvectors of a given matrix. But the converse problem of finding a matrix with prescribed eigenvalues and eigenvectors is rarely discussed in elementary texts on linear algebra. This problem is related to the "spectral" decomposition of a matrix and has important technical…

  18. Triangularization of a Matrix

    Indian Academy of Sciences (India)

    Much of linear algebra is devoted to reducing a matrix (via similarity or unitary similarity) to another that has lots of zeros. The simplest such theorem is the Schur triangularization theorem. This says that every matrix is unitarily similar to an upper triangular matrix. Our aim here is to show that though it is very easy to prove it ...

  19. Supersymmetry in random matrix theory

    International Nuclear Information System (INIS)

    Kieburg, Mario

    2010-01-01

    I study the applications of supersymmetry in random matrix theory. I generalize the supersymmetry method and develop three new approaches to calculate eigenvalue correlation functions. These correlation functions are averages over ratios of characteristic polynomials. In the first part of this thesis, I derive a relation between integrals over anti-commuting variables (Grassmann variables) and differential operators with respect to commuting variables. With this relation I rederive Cauchy- like integral theorems. As a new application I trace the supermatrix Bessel function back to a product of two ordinary matrix Bessel functions. In the second part, I apply the generalized Hubbard-Stratonovich transformation to arbitrary rotation invariant ensembles of real symmetric and Hermitian self-dual matrices. This extends the approach for unitarily rotation invariant matrix ensembles. For the k-point correlation functions I derive supersymmetric integral expressions in a unifying way. I prove the equivalence between the generalized Hubbard-Stratonovich transformation and the superbosonization formula. Moreover, I develop an alternative mapping from ordinary space to superspace. After comparing the results of this approach with the other two supersymmetry methods, I obtain explicit functional expressions for the probability densities in superspace. If the probability density of the matrix ensemble factorizes, then the generating functions exhibit determinantal and Pfaffian structures. For some matrix ensembles this was already shown with help of other approaches. I show that these structures appear by a purely algebraic manipulation. In this new approach I use structures naturally appearing in superspace. I derive determinantal and Pfaffian structures for three types of integrals without actually mapping onto superspace. These three types of integrals are quite general and, thus, they are applicable to a broad class of matrix ensembles. (orig.)

  20. Supersymmetry in random matrix theory

    Energy Technology Data Exchange (ETDEWEB)

    Kieburg, Mario

    2010-05-04

    I study the applications of supersymmetry in random matrix theory. I generalize the supersymmetry method and develop three new approaches to calculate eigenvalue correlation functions. These correlation functions are averages over ratios of characteristic polynomials. In the first part of this thesis, I derive a relation between integrals over anti-commuting variables (Grassmann variables) and differential operators with respect to commuting variables. With this relation I rederive Cauchy- like integral theorems. As a new application I trace the supermatrix Bessel function back to a product of two ordinary matrix Bessel functions. In the second part, I apply the generalized Hubbard-Stratonovich transformation to arbitrary rotation invariant ensembles of real symmetric and Hermitian self-dual matrices. This extends the approach for unitarily rotation invariant matrix ensembles. For the k-point correlation functions I derive supersymmetric integral expressions in a unifying way. I prove the equivalence between the generalized Hubbard-Stratonovich transformation and the superbosonization formula. Moreover, I develop an alternative mapping from ordinary space to superspace. After comparing the results of this approach with the other two supersymmetry methods, I obtain explicit functional expressions for the probability densities in superspace. If the probability density of the matrix ensemble factorizes, then the generating functions exhibit determinantal and Pfaffian structures. For some matrix ensembles this was already shown with help of other approaches. I show that these structures appear by a purely algebraic manipulation. In this new approach I use structures naturally appearing in superspace. I derive determinantal and Pfaffian structures for three types of integrals without actually mapping onto superspace. These three types of integrals are quite general and, thus, they are applicable to a broad class of matrix ensembles. (orig.)

  1. Block Tridiagonal Matrices in Electronic Structure Calculations

    DEFF Research Database (Denmark)

    Petersen, Dan Erik

    in the Landauer–Büttiker ballistic transport regime. These calculations concentrate on determining the so– called Green’s function matrix, or portions thereof, which is the inverse of a block tridiagonal general complex matrix. To this end, a sequential algorithm based on Gaussian elimination named Sweeps...

  2. Absorption properties of waste matrix materials

    Energy Technology Data Exchange (ETDEWEB)

    Briggs, J.B. [Idaho National Engineering Lab., Idaho Falls, ID (United States)

    1997-06-01

    This paper very briefly discusses the need for studies of the limiting critical concentration of radioactive waste matrix materials. Calculated limiting critical concentration values for some common waste materials are listed. However, for systems containing large quantities of waste materials, differences up to 10% in calculated k{sub eff} values are obtained by changing cross section data sets. Therefore, experimental results are needed to compare with calculation results for resolving these differences and establishing realistic biases.

  3. Precise Calculation of Complex Radioactive Decay Chains

    National Research Council Canada - National Science Library

    Harr, Logan J

    2007-01-01

    ...). An application of the exponential moments function is used with a transmutation matrix in the calculation of complex radioactive decay chains to achieve greater precision than can be attained through current methods...

  4. Burnout calculation

    International Nuclear Information System (INIS)

    Li, D.

    1980-01-01

    Reviewed is the effect of heat flux of different system parameters on critical density in order to give an initial view on the value of several parameters. A thorough analysis of different equations is carried out to calculate burnout is steam-water flows in uniformly heated tubes, annular, and rectangular channels and rod bundles. Effect of heat flux density distribution and flux twisting on burnout and storage determination according to burnout are commended [ru

  5. The finite element response matrix method

    International Nuclear Information System (INIS)

    Nakata, H.; Martin, W.R.

    1983-02-01

    A new technique is developed with an alternative formulation of the response matrix method implemented with the finite element scheme. Two types of response matrices are generated from the Galerkin solution to the weak form of the diffusion equation subject to an arbitrary current and source. The piecewise polynomials are defined in two levels, the first for the local (assembly) calculations and the second for the global (core) response matrix calculations. This finite element response matrix technique was tested in two 2-dimensional test problems, 2D-IAEA benchmark problem and Biblis benchmark problem, with satisfatory results. The computational time, whereas the current code is not extensively optimized, is of the same order of the well estabilished coarse mesh codes. Furthermore, the application of the finite element technique in an alternative formulation of response matrix method permits the method to easily incorporate additional capabilities such as treatment of spatially dependent cross-sections, arbitrary geometrical configurations, and high heterogeneous assemblies. (Author) [pt

  6. Phenomenological model of nanocluster in polymer matrix

    International Nuclear Information System (INIS)

    Oksengendler, B.L.; Turaeva, N.N.; Azimov, J.; Rashidova, S.Sh.

    2010-01-01

    The phenomenological model of matrix nanoclusters is presented based on the Wood-Saxon potential used in nuclear physics. In frame of this model the following problems have been considered: calculation of width of diffusive layer between nanocluster and matrix, definition of Tamm surface electronic state taking into account the diffusive layer width, receiving the expression for specific magnetic moment of nanoclusters taking into account the interface width. (authors)

  7. Matrix Elements in Fermion Dynamical Symmetry Model

    Institute of Scientific and Technical Information of China (English)

    LIU Guang-Zhou; LIU Wei

    2002-01-01

    In a neutron-proton system, the matrix elements of the generators for SO(8) × SO(8) symmetry areconstructed explicitly, and with these matrix elements the low-lying excitation spectra obtained by diagonalization arepresented. The excitation spectra for SO(7) nuclei Pd and Ru isotopes and SO(6) r-soft rotational nuclei Xe, Ba, andCe isotopes are calculated, and comparison with the experimental results is carried out.

  8. Matrix Elements in Fermion Dynamical Symmetry Model

    Institute of Scientific and Technical Information of China (English)

    LIUGuang-Zhou; LIUWei

    2002-01-01

    In a neutron-proton system,the matrix elements of the generators for SO(8)×SO(8) symmetry are constructed exp;icitly,and with these matrix elements the low-lying excitation spsectra obtained by diagonalization are presented.The excitation spectra for SO(7) nuclei Pd and Ru isotopes and SO(6) r-soft rotational nuclei Xe,Ba,and Ce isotopes are calculated,and comparison with the experimental results is carried out.

  9. A transilient matrix for moist convection

    Energy Technology Data Exchange (ETDEWEB)

    Romps, D.; Kuang, Z.

    2011-08-15

    A method is introduced for diagnosing a transilient matrix for moist convection. This transilient matrix quantifies the nonlocal transport of air by convective eddies: for every height z, it gives the distribution of starting heights z{prime} for the eddies that arrive at z. In a cloud-resolving simulation of deep convection, the transilient matrix shows that two-thirds of the subcloud air convecting into the free troposphere originates from within 100 m of the surface. This finding clarifies which initial height to use when calculating convective available potential energy from soundings of the tropical troposphere.

  10. Molecular dynamics simulations of matrix assisted laser desorption ionization: Matrix-analyte interactions

    International Nuclear Information System (INIS)

    Nangia, Shivangi; Garrison, Barbara J.

    2011-01-01

    There is synergy between matrix assisted laser desorption ionization (MALDI) experiments and molecular dynamics (MD) simulations. To understand analyte ejection from the matrix, MD simulations have been employed. Prior calculations show that the ejected analyte molecules remain solvated by the matrix molecules in the ablated plume. In contrast, the experimental data show free analyte ions. The main idea of this work is that analyte molecule ejection may depend on the microscopic details of analyte interaction with the matrix. Intermolecular matrix-analyte interactions have been studied by focusing on 2,5-dihydroxybenzoic acid (DHB; matrix) and amino acids (AA; analyte) using Chemistry at HARvard Molecular Mechanics (CHARMM) force field. A series of AA molecules have been studied to analyze the DHB-AA interaction. A relative scale of AA molecule affinity towards DHB has been developed.

  11. Reliability calculations

    International Nuclear Information System (INIS)

    Petersen, K.E.

    1986-03-01

    Risk and reliability analysis is increasingly being used in evaluations of plant safety and plant reliability. The analysis can be performed either during the design process or during the operation time, with the purpose to improve the safety or the reliability. Due to plant complexity and safety and availability requirements, sophisticated tools, which are flexible and efficient, are needed. Such tools have been developed in the last 20 years and they have to be continuously refined to meet the growing requirements. Two different areas of application were analysed. In structural reliability probabilistic approaches have been introduced in some cases for the calculation of the reliability of structures or components. A new computer program has been developed based upon numerical integration in several variables. In systems reliability Monte Carlo simulation programs are used especially in analysis of very complex systems. In order to increase the applicability of the programs variance reduction techniques can be applied to speed up the calculation process. Variance reduction techniques have been studied and procedures for implementation of importance sampling are suggested. (author)

  12. Calculator calculus

    CERN Document Server

    McCarty, George

    1982-01-01

    How THIS BOOK DIFFERS This book is about the calculus. What distinguishes it, however, from other books is that it uses the pocket calculator to illustrate the theory. A computation that requires hours of labor when done by hand with tables is quite inappropriate as an example or exercise in a beginning calculus course. But that same computation can become a delicate illustration of the theory when the student does it in seconds on his calculator. t Furthermore, the student's own personal involvement and easy accomplishment give hi~ reassurance and en­ couragement. The machine is like a microscope, and its magnification is a hundred millionfold. We shall be interested in limits, and no stage of numerical approximation proves anything about the limit. However, the derivative of fex) = 67.SgX, for instance, acquires real meaning when a student first appreciates its values as numbers, as limits of 10 100 1000 t A quick example is 1.1 , 1.01 , 1.001 , •••• Another example is t = 0.1, 0.01, in the functio...

  13. QUEUEING DISCIPLINES BASED ON PRIORITY MATRIX

    Directory of Open Access Journals (Sweden)

    Taufik I. Aliev

    2014-11-01

    Full Text Available The paper deals with queueing disciplines for demands of general type in queueing systems with multivendor load. A priority matrix is proposed to be used for the purpose of mathematical description of such disciplines, which represents the priority type (preemptive priority, not preemptive priority or no priority between any two demands classes. Having an intuitive and simple way of priority assignment, such description gives mathematical dependencies of system operation characteristics on its parameters. Requirements for priority matrix construction are formulated and the notion of canonical priority matrix is given. It is shown that not every matrix, constructed in accordance with such requirements, is correct. The notion of incorrect priority matrix is illustrated by an example, and it is shown that such matrixes do not ensure any unambiguousness and determinacy in design of algorithm, which realizes corresponding queueing discipline. Rules governing construction of correct matrixes are given for canonical priority matrixes. Residence time for demands of different classes in system, which is the sum of waiting time and service time, is considered as one of the most important characteristics. By introducing extra event method Laplace transforms for these characteristics are obtained, and mathematical dependencies are derived on their basis for calculation of two first moments for corresponding characteristics of demands queueing

  14. Reliability Calculations

    DEFF Research Database (Denmark)

    Petersen, Kurt Erling

    1986-01-01

    Risk and reliability analysis is increasingly being used in evaluations of plant safety and plant reliability. The analysis can be performed either during the design process or during the operation time, with the purpose to improve the safety or the reliability. Due to plant complexity and safety...... and availability requirements, sophisticated tools, which are flexible and efficient, are needed. Such tools have been developed in the last 20 years and they have to be continuously refined to meet the growing requirements. Two different areas of application were analysed. In structural reliability probabilistic...... approaches have been introduced in some cases for the calculation of the reliability of structures or components. A new computer program has been developed based upon numerical integration in several variables. In systems reliability Monte Carlo simulation programs are used especially in analysis of very...

  15. Parallelism in matrix computations

    CERN Document Server

    Gallopoulos, Efstratios; Sameh, Ahmed H

    2016-01-01

    This book is primarily intended as a research monograph that could also be used in graduate courses for the design of parallel algorithms in matrix computations. It assumes general but not extensive knowledge of numerical linear algebra, parallel architectures, and parallel programming paradigms. The book consists of four parts: (I) Basics; (II) Dense and Special Matrix Computations; (III) Sparse Matrix Computations; and (IV) Matrix functions and characteristics. Part I deals with parallel programming paradigms and fundamental kernels, including reordering schemes for sparse matrices. Part II is devoted to dense matrix computations such as parallel algorithms for solving linear systems, linear least squares, the symmetric algebraic eigenvalue problem, and the singular-value decomposition. It also deals with the development of parallel algorithms for special linear systems such as banded ,Vandermonde ,Toeplitz ,and block Toeplitz systems. Part III addresses sparse matrix computations: (a) the development of pa...

  16. Neutrino mass matrix

    International Nuclear Information System (INIS)

    Strobel, E.L.

    1985-01-01

    Given the many conflicting experimental results, examination is made of the neutrino mass matrix in order to determine possible masses and mixings. It is assumed that the Dirac mass matrix for the electron, muon, and tau neutrinos is similar in form to those of the quarks and charged leptons, and that the smallness of the observed neutrino masses results from the Gell-Mann-Ramond-Slansky mechanism. Analysis of masses and mixings for the neutrinos is performed using general structures for the Majorana mass matrix. It is shown that if certain tentative experimental results concerning the neutrino masses and mixing angles are confirmed, significant limitations may be placed on the Majorana mass matrix. The most satisfactory simple assumption concerning the Majorana mass matrix is that it is approximately proportional to the Dirac mass matrix. A very recent experimental neutrino mass result and its implications are discussed. Some general properties of matrices with structure similar to the Dirac mass matrices are discussed

  17. Advanced density matrix renormalization group method for nuclear structure calculations

    Czech Academy of Sciences Publication Activity Database

    Legeza, Ö.; Veis, Libor; Poves, A.; Dukelsky, J.

    2015-01-01

    Roč. 92, č. 5 (2015), 051303 ISSN 0556-2813 Institutional support: RVO:61388955 Keywords : INITIO QUANTUM- CHEMISTRY * GROUP ALGORITHM * SHELL-MODEL Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.146, year: 2015

  18. On calculation of zeta function of integral matrix

    Czech Academy of Sciences Publication Activity Database

    Janáček, Jiří

    2009-01-01

    Roč. 134, č. 1 (2009), s. 49-58 ISSN 0862-7959 R&D Projects: GA AV ČR(CZ) IAA100110502 Institutional research plan: CEZ:AV0Z50110509 Keywords : Epstein zeta function * integral lattice * Riemann theta function Subject RIV: BA - General Mathematics

  19. Acceleration of intensity-modulated radiotherapy dose calculation by importance sampling of the calculation matrices

    International Nuclear Information System (INIS)

    Thieke, Christian; Nill, Simeon; Oelfke, Uwe; Bortfeld, Thomas

    2002-01-01

    In inverse planning for intensity-modulated radiotherapy, the dose calculation is a crucial element limiting both the maximum achievable plan quality and the speed of the optimization process. One way to integrate accurate dose calculation algorithms into inverse planning is to precalculate the dose contribution of each beam element to each voxel for unit fluence. These precalculated values are stored in a big dose calculation matrix. Then the dose calculation during the iterative optimization process consists merely of matrix look-up and multiplication with the actual fluence values. However, because the dose calculation matrix can become very large, this ansatz requires a lot of computer memory and is still very time consuming, making it not practical for clinical routine without further modifications. In this work we present a new method to significantly reduce the number of entries in the dose calculation matrix. The method utilizes the fact that a photon pencil beam has a rapid radial dose falloff, and has very small dose values for the most part. In this low-dose part of the pencil beam, the dose contribution to a voxel is only integrated into the dose calculation matrix with a certain probability. Normalization with the reciprocal of this probability preserves the total energy, even though many matrix elements are omitted. Three probability distributions were tested to find the most accurate one for a given memory size. The sampling method is compared with the use of a fully filled matrix and with the well-known method of just cutting off the pencil beam at a certain lateral distance. A clinical example of a head and neck case is presented. It turns out that a sampled dose calculation matrix with only 1/3 of the entries of the fully filled matrix does not sacrifice the quality of the resulting plans, whereby the cutoff method results in a suboptimal treatment plan

  20. P-matrix approach and three-nucleon problem

    International Nuclear Information System (INIS)

    Babenko, V.A.; Petrov, N.M.; Teneva, G.N.

    1993-01-01

    The paper deals with the P-matrix approach application to the three strongly interacting particles systems description. On the basis of the obtained off-energy-shell scattering amplitude separable expansion in the P-matrix approach the low-energy three-particle quantities were calculated in the case of square-well potential. The results of calculations show good convergence of the calculated three-particle quantities. (author). 12 refs., 1 tab

  1. Hexagonal response matrix using symmetries

    International Nuclear Information System (INIS)

    Gotoh, Y.

    1991-01-01

    A response matrix for use in core calculations for nuclear reactors with hexagonal fuel assemblies is presented. It is based on the incoming currents averaged over the half-surface of a hexagonal node by applying symmetry theory. The boundary conditions of the incoming currents on the half-surface of the node are expressed by a complete set of orthogonal vectors which are constructed from symmetrized functions. The expansion coefficients of the functions are determined by the boundary conditions of incoming currents. (author)

  2. Theoretical evaluation of matrix effects on trapped atomic levels

    International Nuclear Information System (INIS)

    Das, G.P.; Gruen, D.M.

    1986-06-01

    We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs

  3. Calculating ε'/ε in the standard model

    International Nuclear Information System (INIS)

    Sharpe, S.R.

    1988-01-01

    The ingredients needed in order to calculate ε' and ε are described. Particular emphasis is given to the non-perturbative calculations of matrix elements by lattice methods. The status of the electromagnetic contribution to ε' is reviewed. 15 refs

  4. Patience of matrix games

    DEFF Research Database (Denmark)

    Hansen, Kristoffer Arnsfelt; Ibsen-Jensen, Rasmus; Podolskii, Vladimir V.

    2013-01-01

    For matrix games we study how small nonzero probability must be used in optimal strategies. We show that for image win–lose–draw games (i.e. image matrix games) nonzero probabilities smaller than image are never needed. We also construct an explicit image win–lose game such that the unique optimal...

  5. Matrix comparison, Part 2

    DEFF Research Database (Denmark)

    Schneider, Jesper Wiborg; Borlund, Pia

    2007-01-01

    The present two-part article introduces matrix comparison as a formal means for evaluation purposes in informetric studies such as cocitation analysis. In the first part, the motivation behind introducing matrix comparison to informetric studies, as well as two important issues influencing such c...

  6. Unitarity of CKM Matrix

    CERN Document Server

    Saleem, M

    2002-01-01

    The Unitarity of the CKM matrix is examined in the light of the latest available accurate data. The analysis shows that a conclusive result cannot be derived at present. Only more precise data can determine whether the CKM matrix opens new vistas beyond the standard model or not.

  7. Mathematical model for choosing the nuclear safe matrix compositions for fissile material immobilization

    International Nuclear Information System (INIS)

    Gorshtein, A.I.; Matyunin, Yu.I.; Poluehktov, P.P.

    2000-01-01

    A mathematical model is proposed for preliminary choice of the nuclear safe matrix compositions for fissile material immobilization. The IBM PC computer software for nuclear safe matrix composition calculations is developed. The limiting concentration of fissile materials in the some used and perspective nuclear safe matrix compositions for radioactive waste immobilization is calculated [ru

  8. Fuzzy risk matrix

    International Nuclear Information System (INIS)

    Markowski, Adam S.; Mannan, M. Sam

    2008-01-01

    A risk matrix is a mechanism to characterize and rank process risks that are typically identified through one or more multifunctional reviews (e.g., process hazard analysis, audits, or incident investigation). This paper describes a procedure for developing a fuzzy risk matrix that may be used for emerging fuzzy logic applications in different safety analyses (e.g., LOPA). The fuzzification of frequency and severity of the consequences of the incident scenario are described which are basic inputs for fuzzy risk matrix. Subsequently using different design of risk matrix, fuzzy rules are established enabling the development of fuzzy risk matrices. Three types of fuzzy risk matrix have been developed (low-cost, standard, and high-cost), and using a distillation column case study, the effect of the design on final defuzzified risk index is demonstrated

  9. Proton decay matrix elements from lattice QCD

    International Nuclear Information System (INIS)

    Aoki, Yasumichi; Shintani, Eigo

    2012-01-01

    We report on the calculation of the matrix elements of nucleon to pseudoscalar decay through a three quark operator, a part of the low-energy, four-fermion, baryon-number-violating operator originating from grand unified theories. The direct calculation of the form factors using domain-wall fermions on the lattice, incorporating the u, d and s sea-quarks effects yields the results with all the relevant systematic uncertainties controlled for the first time.

  10. t matrix of metallic wire structures

    International Nuclear Information System (INIS)

    Zhan, T. R.; Chui, S. T.

    2014-01-01

    To study the electromagnetic resonance and scattering properties of complex structures of which metallic wire structures are constituents within multiple scattering theory, the t matrix of individual structures is needed. We have recently developed a rigorous and numerically efficient equivalent circuit theory in which retardation effects are taken into account for metallic wire structures. Here, we show how the t matrix can be calculated analytically within this theory. We illustrate our method with the example of split ring resonators. The density of states and cross sections for scattering and absorption are calculated, which are shown to be remarkably enhanced at resonant frequencies. The t matrix serves as the basic building block to evaluate the interaction of wire structures within the framework of multiple scattering theory. This will open the door to efficient design and optimization of assembly of wire structures

  11. Matrix Metalloproteinase Enzyme Family

    Directory of Open Access Journals (Sweden)

    Ozlem Goruroglu Ozturk

    2013-04-01

    Full Text Available Matrix metalloproteinases play an important role in many biological processes such as embriogenesis, tissue remodeling, wound healing, and angiogenesis, and in some pathological conditions such as atherosclerosis, arthritis and cancer. Currently, 24 genes have been identified in humans that encode different groups of matrix metalloproteinase enzymes. This review discuss the members of the matrix metalloproteinase family and their substrate specificity, structure, function and the regulation of their enzyme activity by tissue inhibitors. [Archives Medical Review Journal 2013; 22(2.000: 209-220

  12. Matrix groups for undergraduates

    CERN Document Server

    Tapp, Kristopher

    2005-01-01

    Matrix groups touch an enormous spectrum of the mathematical arena. This textbook brings them into the undergraduate curriculum. It makes an excellent one-semester course for students familiar with linear and abstract algebra and prepares them for a graduate course on Lie groups. Matrix Groups for Undergraduates is concrete and example-driven, with geometric motivation and rigorous proofs. The story begins and ends with the rotations of a globe. In between, the author combines rigor and intuition to describe basic objects of Lie theory: Lie algebras, matrix exponentiation, Lie brackets, and maximal tori.

  13. Elementary matrix theory

    CERN Document Server

    Eves, Howard

    1980-01-01

    The usefulness of matrix theory as a tool in disciplines ranging from quantum mechanics to psychometrics is widely recognized, and courses in matrix theory are increasingly a standard part of the undergraduate curriculum.This outstanding text offers an unusual introduction to matrix theory at the undergraduate level. Unlike most texts dealing with the topic, which tend to remain on an abstract level, Dr. Eves' book employs a concrete elementary approach, avoiding abstraction until the final chapter. This practical method renders the text especially accessible to students of physics, engineeri

  14. Hacking the Matrix.

    Science.gov (United States)

    Czerwinski, Michael; Spence, Jason R

    2017-01-05

    Recently in Nature, Gjorevski et al. (2016) describe a fully defined synthetic hydrogel that mimics the extracellular matrix to support in vitro growth of intestinal stem cells and organoids. The hydrogel allows exquisite control over the chemical and physical in vitro niche and enables identification of regulatory properties of the matrix. Copyright © 2017 Elsevier Inc. All rights reserved.

  15. The Matrix Organization Revisited

    DEFF Research Database (Denmark)

    Gattiker, Urs E.; Ulhøi, John Parm

    1999-01-01

    This paper gives a short overview of matrix structure and technology management. It outlines some of the characteristics and also points out that many organizations may actualy be hybrids (i.e. mix several ways of organizing to allocate resorces effectively).......This paper gives a short overview of matrix structure and technology management. It outlines some of the characteristics and also points out that many organizations may actualy be hybrids (i.e. mix several ways of organizing to allocate resorces effectively)....

  16. The Exopolysaccharide Matrix

    Science.gov (United States)

    Koo, H.; Falsetta, M.L.; Klein, M.I.

    2013-01-01

    Many infectious diseases in humans are caused or exacerbated by biofilms. Dental caries is a prime example of a biofilm-dependent disease, resulting from interactions of microorganisms, host factors, and diet (sugars), which modulate the dynamic formation of biofilms on tooth surfaces. All biofilms have a microbial-derived extracellular matrix as an essential constituent. The exopolysaccharides formed through interactions between sucrose- (and starch-) and Streptococcus mutans-derived exoenzymes present in the pellicle and on microbial surfaces (including non-mutans) provide binding sites for cariogenic and other organisms. The polymers formed in situ enmesh the microorganisms while forming a matrix facilitating the assembly of three-dimensional (3D) multicellular structures that encompass a series of microenvironments and are firmly attached to teeth. The metabolic activity of microbes embedded in this exopolysaccharide-rich and diffusion-limiting matrix leads to acidification of the milieu and, eventually, acid-dissolution of enamel. Here, we discuss recent advances concerning spatio-temporal development of the exopolysaccharide matrix and its essential role in the pathogenesis of dental caries. We focus on how the matrix serves as a 3D scaffold for biofilm assembly while creating spatial heterogeneities and low-pH microenvironments/niches. Further understanding on how the matrix modulates microbial activity and virulence expression could lead to new approaches to control cariogenic biofilms. PMID:24045647

  17. N=2 3d-matrix integral with Myers term

    International Nuclear Information System (INIS)

    Tomino, Dan

    2004-01-01

    An exact matrix integral is evaluated for a 2x2 3-dimensional matrix model with Myers term. We derive weak and strong coupling expansions of the effective action. We also calculate the expectation values of the quadratic and cubic operators. Implications for non-commutative gauge theory on fuzzy sphere are discussed. (author)

  18. Statistical Origin of Black Hole Entropy in Matrix Theory

    International Nuclear Information System (INIS)

    Lowe, D.A.

    1998-01-01

    The statistical entropy of black holes in matrix theory is considered. Assuming matrix theory is the discretized light-cone quantization of a theory with eleven-dimensional Lorentz invariance, we map the counting problem onto the original Gibbons-Hawking calculations of the thermodynamic entropy. copyright 1998 The American Physical Society

  19. Hierarchy of Poisson brackets for elements of a scattering matrix

    International Nuclear Information System (INIS)

    Konopelchenko, B.G.; Dubrovsky, V.G.

    1984-01-01

    The infinite family of Poisson brackets [Ssub(i1k1) (lambda 1 ), Ssub(i2k2) (lambda 2 )]sub(n) (n=0, 1, 2, ...) between the elements of a scattering matrix is calculated for the linear matrix spectral problem. (orig.)

  20. Analytic vibration-rotational matrix elements for diatomic molecules

    International Nuclear Information System (INIS)

    Bouanich, J.P.

    1987-01-01

    The vibration-rotational matrix elements for infrared or Raman transitions vJ → v'J' of diatomic molecules are calculated for powers of the reduced displacement X from parameters of the Dunham potential-energy function. (orig.)

  1. Normalization Of Thermal-Radiation Form-Factor Matrix

    Science.gov (United States)

    Tsuyuki, Glenn T.

    1994-01-01

    Report describes algorithm that adjusts form-factor matrix in TRASYS computer program, which calculates intraspacecraft radiative interchange among various surfaces and environmental heat loading from sources such as sun.

  2. Whitby Mudstone, flow from matrix to fractures

    Science.gov (United States)

    Houben, Maartje; Hardebol, Nico; Barnhoorn, Auke; Boersma, Quinten; Peach, Colin; Bertotti, Giovanni; Drury, Martyn

    2016-04-01

    Fluid flow from matrix to well in shales would be faster if we account for the duality of the permeable medium considering a high permeable fracture network together with a tight matrix. To investigate how long and how far a gas molecule would have to travel through the matrix until it reaches an open connected fracture we investigated the permeability of the Whitby Mudstone (UK) matrix in combination with mapping the fracture network present in the current outcrops of the Whitby Mudstone at the Yorkshire coast. Matrix permeability was measured perpendicular to the bedding using a pressure step decay method on core samples and permeability values are in the microdarcy range. The natural fracture network present in the pavement shows a connected network with dominant NS and EW strikes, where the NS fractures are the main fracture set with an orthogonal fracture set EW. Fracture spacing relations in the pavements show that the average distance to the nearest fracture varies between 7 cm (EW) and 14 cm (NS), where 90% of the matrix is 30 cm away from the nearest fracture. By making some assumptions like; fracture network at depth is similar to what is exposed in the current pavements and open to flow, fracture network is at hydrostatic pressure at 3 km depth, overpressure between matrix and fractures is 10% and a matrix permeability perpendicular to the bedding of 0.1 microdarcy, we have calculated the time it takes for a gas molecule to travel to the nearest fracture. These input values give travel times up to 8 days for a distance of 14 cm. If the permeability is changed to 1 nanodarcy or 10 microdarcy travel times change to 2.2 years or 2 hours respectively.

  3. Matrix Information Geometry

    CERN Document Server

    Bhatia, Rajendra

    2013-01-01

    This book is an outcome of the Indo-French Workshop on Matrix Information Geometries (MIG): Applications in Sensor and Cognitive Systems Engineering, which was held in Ecole Polytechnique and Thales Research and Technology Center, Palaiseau, France, in February 23-25, 2011. The workshop was generously funded by the Indo-French Centre for the Promotion of Advanced Research (IFCPAR).  During the event, 22 renowned invited french or indian speakers gave lectures on their areas of expertise within the field of matrix analysis or processing. From these talks, a total of 17 original contribution or state-of-the-art chapters have been assembled in this volume. All articles were thoroughly peer-reviewed and improved, according to the suggestions of the international referees. The 17 contributions presented  are organized in three parts: (1) State-of-the-art surveys & original matrix theory work, (2) Advanced matrix theory for radar processing, and (3) Matrix-based signal processing applications.  

  4. 2016 MATRIX annals

    CERN Document Server

    Praeger, Cheryl; Tao, Terence

    2018-01-01

    MATRIX is Australia’s international, residential mathematical research institute. It facilitates new collaborations and mathematical advances through intensive residential research programs, each lasting 1-4 weeks. This book is a scientific record of the five programs held at MATRIX in its first year, 2016: Higher Structures in Geometry and Physics (Chapters 1-5 and 18-21); Winter of Disconnectedness (Chapter 6 and 22-26); Approximation and Optimisation (Chapters 7-8); Refining C*-Algebraic Invariants for Dynamics using KK-theory (Chapters 9-13); Interactions between Topological Recursion, Modularity, Quantum Invariants and Low-dimensional Topology (Chapters 14-17 and 27). The MATRIX Scientific Committee selected these programs based on their scientific excellence and the participation rate of high-profile international participants. Each program included ample unstructured time to encourage collaborative research; some of the longer programs also included an embedded conference or lecture series. The artic...

  5. Matrix interdiction problem

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Feng [Los Alamos National Laboratory; Kasiviswanathan, Shiva [Los Alamos National Laboratory

    2010-01-01

    In the matrix interdiction problem, a real-valued matrix and an integer k is given. The objective is to remove k columns such that the sum over all rows of the maximum entry in each row is minimized. This combinatorial problem is closely related to bipartite network interdiction problem which can be applied to prioritize the border checkpoints in order to minimize the probability that an adversary can successfully cross the border. After introducing the matrix interdiction problem, we will prove the problem is NP-hard, and even NP-hard to approximate with an additive n{gamma} factor for a fixed constant {gamma}. We also present an algorithm for this problem that achieves a factor of (n-k) mUltiplicative approximation ratio.

  6. Dynamic Matrix Rank

    DEFF Research Database (Denmark)

    Frandsen, Gudmund Skovbjerg; Frandsen, Peter Frands

    2009-01-01

    We consider maintaining information about the rank of a matrix under changes of the entries. For n×n matrices, we show an upper bound of O(n1.575) arithmetic operations and a lower bound of Ω(n) arithmetic operations per element change. The upper bound is valid when changing up to O(n0.575) entries...... in a single column of the matrix. We also give an algorithm that maintains the rank using O(n2) arithmetic operations per rank one update. These bounds appear to be the first nontrivial bounds for the problem. The upper bounds are valid for arbitrary fields, whereas the lower bound is valid for algebraically...... closed fields. The upper bound for element updates uses fast rectangular matrix multiplication, and the lower bound involves further development of an earlier technique for proving lower bounds for dynamic computation of rational functions....

  7. MATLAB matrix algebra

    CERN Document Server

    Pérez López, César

    2014-01-01

    MATLAB is a high-level language and environment for numerical computation, visualization, and programming. Using MATLAB, you can analyze data, develop algorithms, and create models and applications. The language, tools, and built-in math functions enable you to explore multiple approaches and reach a solution faster than with spreadsheets or traditional programming languages, such as C/C++ or Java. MATLAB Matrix Algebra introduces you to the MATLAB language with practical hands-on instructions and results, allowing you to quickly achieve your goals. Starting with a look at symbolic and numeric variables, with an emphasis on vector and matrix variables, you will go on to examine functions and operations that support vectors and matrices as arguments, including those based on analytic parent functions. Computational methods for finding eigenvalues and eigenvectors of matrices are detailed, leading to various matrix decompositions. Applications such as change of bases, the classification of quadratic forms and ...

  8. Single-particle density matrix of liquid 4He

    International Nuclear Information System (INIS)

    Vakarchuk, I.A.

    2008-01-01

    The density single-particle matrix in the coordinate notation was calculated based on the expression for the interacting Bose-particle N system density matrix. Under the low temperatures the mentioned matrix in the first approximation enables to reproduce the Bogoliubov theory results. In the classical terms the mentioned theory enables to reproduce the results of the theory of the classical fluids in the approximation of the chaotic phases. On the basis of the density single-particle matrix one managed to obtain the function of the pulse distribution of the particles, the Bose-liquid average kinetic energy, and to study the Bose-Einstein condensation phenomenon [ru

  9. The S-matrix of superstring field theory

    International Nuclear Information System (INIS)

    Konopka, Sebastian

    2015-01-01

    We show that the classical S-matrix calculated from the recently proposed superstring field theories give the correct perturbative S-matrix. In the proof we exploit the fact that the vertices are obtained by a field redefinition in the large Hilbert space. The result extends to include the NS-NS subsector of type II superstring field theory and the recently found equations of motions for the Ramond fields. In addition, our proof implies that the S-matrix obtained from Berkovits’ WZW-like string field theory then agrees with the perturbative S-matrix to all orders.

  10. Elementary matrix algebra

    CERN Document Server

    Hohn, Franz E

    2012-01-01

    This complete and coherent exposition, complemented by numerous illustrative examples, offers readers a text that can teach by itself. Fully rigorous in its treatment, it offers a mathematically sound sequencing of topics. The work starts with the most basic laws of matrix algebra and progresses to the sweep-out process for obtaining the complete solution of any given system of linear equations - homogeneous or nonhomogeneous - and the role of matrix algebra in the presentation of useful geometric ideas, techniques, and terminology.Other subjects include the complete treatment of the structur

  11. The finite element response Matrix method

    International Nuclear Information System (INIS)

    Nakata, H.; Martin, W.R.

    1983-01-01

    A new method for global reactor core calculations is described. This method is based on a unique formulation of the response matrix method, implemented with a higher order finite element method. The unique aspects of this approach are twofold. First, there are two levels to the overall calculational scheme: the local or assembly level and the global or core level. Second, the response matrix scheme, which is formulated at both levels, consists of two separate response matrices rather than one response matrix as is generally the case. These separate response matrices are seen to be quite beneficial for the criticality eigenvalue calculation, because they are independent of k /SUB eff/. The response matrices are generated from a Galerkin finite element solution to the weak form of the diffusion equation, subject to an arbitrary incoming current and an arbitrary distributed source. Calculational results are reported for two test problems, the two-dimensional International Atomic Energy Agency benchmark problem and a two-dimensional pressurized water reactor test problem (Biblis reactor), and they compare well with standard coarse mesh methods with respect to accuracy and efficiency. Moreover, the accuracy (and capability) is comparable to fine mesh for a fraction of the computational cost. Extension of the method to treat heterogeneous assemblies and spatial depletion effects is discussed

  12. Global unitary fixing and matrix-valued correlations in matrix models

    International Nuclear Information System (INIS)

    Adler, Stephen L.; Horwitz, Lawrence P.

    2003-01-01

    We consider the partition function for a matrix model with a global unitary invariant energy function. We show that the averages over the partition function of global unitary invariant trace polynomials of the matrix variables are the same when calculated with any choice of a global unitary fixing, while averages of such polynomials without a trace define matrix-valued correlation functions, that depend on the choice of unitary fixing. The unitary fixing is formulated within the standard Faddeev-Popov framework, in which the squared Vandermonde determinant emerges as a factor of the complete Faddeev-Popov determinant. We give the ghost representation for the FP determinant, and the corresponding BRST invariance of the unitary-fixed partition function. The formalism is relevant for deriving Ward identities obeyed by matrix-valued correlation functions

  13. Dielectric matrix, dynamical matrix and phonon dispersion in hcp transition metal scandium

    International Nuclear Information System (INIS)

    Singh, Joginder; Singh, Natthi; Prakash, S.

    1976-01-01

    Complete dielectric matrix is evaluated for hcp transition metal scandium using the non-interacting s- and d-band model. The local field corrections which are consequence of the non-diagonal part of the dielectric matrix are calculated explicitly. The free electron approximation is used for the s-electrons and the simple tight-binding approximation is used for the d-electrons. The theory developed by Singh and others is used to invert the dielectric matrix and the explicit expressions for the dynamical matrix are obtained. The phonon dispersion relations are investigated by using the renormalized Animalu transition metal model potential (TMMP) for bare ion potential. The contribution due to non-central forces which arise due to local fields is found to be 20%. The results are found in resonably good agreement with the experimental values. (author)

  14. ACORNS, Covariance and Correlation Matrix Diagonalization

    International Nuclear Information System (INIS)

    Szondi, E.J.

    1990-01-01

    1 - Description of program or function: The program allows the user to verify the different types of covariance/correlation matrices used in the activation neutron spectrometry. 2 - Method of solution: The program performs the diagonalization of the input covariance/relative covariance/correlation matrices. The Eigen values are then analyzed to determine the rank of the matrices. If the Eigen vectors of the pertinent correlation matrix have also been calculated, the program can perform a complete factor analysis (generation of the factor matrix and its rotation in Kaiser's 'varimax' sense to select the origin of the correlations). 3 - Restrictions on the complexity of the problem: Matrix size is limited to 60 on PDP and to 100 on IBM PC/AT

  15. R-matrix analysis code (RAC)

    International Nuclear Information System (INIS)

    Chen Zhenpeng; Qi Huiquan

    1990-01-01

    A comprehensive R-matrix analysis code has been developed. It is based on the multichannel and multilevel R-matrix theory and runs in VAX computer with FORTRAN-77. With this code many kinds of experimental data for one nuclear system can be fitted simultaneously. The comparisions between code RAC and code EDA of LANL are made. The data show both codes produced the same calculation results when one set of R-matrix parameters was used. The differential cross section of 10 B (n, α) 7 Li for E n = 0.4 MeV and the polarization of 16 O (n,n) 16 O for E n = 2.56 MeV are presented

  16. Calculation of Rydberg interaction potentials

    International Nuclear Information System (INIS)

    Weber, Sebastian; Büchler, Hans Peter; Tresp, Christoph; Urvoy, Alban; Hofferberth, Sebastian; Menke, Henri; Firstenberg, Ofer

    2017-01-01

    The strong interaction between individual Rydberg atoms provides a powerful tool exploited in an ever-growing range of applications in quantum information science, quantum simulation and ultracold chemistry. One hallmark of the Rydberg interaction is that both its strength and angular dependence can be fine-tuned with great flexibility by choosing appropriate Rydberg states and applying external electric and magnetic fields. More and more experiments are probing this interaction at short atomic distances or with such high precision that perturbative calculations as well as restrictions to the leading dipole–dipole interaction term are no longer sufficient. In this tutorial, we review all relevant aspects of the full calculation of Rydberg interaction potentials. We discuss the derivation of the interaction Hamiltonian from the electrostatic multipole expansion, numerical and analytical methods for calculating the required electric multipole moments and the inclusion of electromagnetic fields with arbitrary direction. We focus specifically on symmetry arguments and selection rules, which greatly reduce the size of the Hamiltonian matrix, enabling the direct diagonalization of the Hamiltonian up to higher multipole orders on a desktop computer. Finally, we present example calculations showing the relevance of the full interaction calculation to current experiments. Our software for calculating Rydberg potentials including all features discussed in this tutorial is available as open source. (tutorial)

  17. An Innovative Approach to Balancing Chemical-Reaction Equations: A Simplified Matrix-Inversion Technique for Determining The Matrix Null Space

    OpenAIRE

    Thorne, Lawrence R.

    2011-01-01

    I propose a novel approach to balancing equations that is applicable to all chemical-reaction equations; it is readily accessible to students via scientific calculators and basic computer spreadsheets that have a matrix-inversion application. The new approach utilizes the familiar matrix-inversion operation in an unfamiliar and innovative way; its purpose is not to identify undetermined coefficients as usual, but, instead, to compute a matrix null space (or matrix kernel). The null space then...

  18. Ethical Matrix Manual

    NARCIS (Netherlands)

    Mepham, B.; Kaiser, M.; Thorstensen, E.; Tomkins, S.; Millar, K.

    2006-01-01

    The ethical matrix is a conceptual tool designed to help decision-makers (as individuals or working in groups) reach sound judgements or decisions about the ethical acceptability and/or optimal regulatory controls for existing or prospective technologies in the field of food and agriculture.

  19. Combinatorial matrix theory

    CERN Document Server

    Mitjana, Margarida

    2018-01-01

    This book contains the notes of the lectures delivered at an Advanced Course on Combinatorial Matrix Theory held at Centre de Recerca Matemàtica (CRM) in Barcelona. These notes correspond to five series of lectures. The first series is dedicated to the study of several matrix classes defined combinatorially, and was delivered by Richard A. Brualdi. The second one, given by Pauline van den Driessche, is concerned with the study of spectral properties of matrices with a given sign pattern. Dragan Stevanović delivered the third one, devoted to describing the spectral radius of a graph as a tool to provide bounds of parameters related with properties of a graph. The fourth lecture was delivered by Stephen Kirkland and is dedicated to the applications of the Group Inverse of the Laplacian matrix. The last one, given by Ángeles Carmona, focuses on boundary value problems on finite networks with special in-depth on the M-matrix inverse problem.

  20. Visualizing Matrix Multiplication

    Science.gov (United States)

    Daugulis, Peteris; Sondore, Anita

    2018-01-01

    Efficient visualizations of computational algorithms are important tools for students, educators, and researchers. In this article, we point out an innovative visualization technique for matrix multiplication. This method differs from the standard, formal approach by using block matrices to make computations more visual. We find this method a…

  1. Challenging the CSCW matrix

    DEFF Research Database (Denmark)

    Jørnø, Rasmus Leth Vergmann; Gynther, Karsten; Christensen, Ove

    2014-01-01

    useful information, we question whether the axis of time and space comprising the matrix pertains to relevant defining properties of the tools, technology or learning environments to which they are applied. Subsequently we offer an example of an Adobe Connect e-learning session as an illustration...

  2. Formic acid dimers in a nitrogen matrix

    Science.gov (United States)

    Lopes, Susy; Fausto, Rui; Khriachtchev, Leonid

    2018-01-01

    Formic acid (HCOOH) dimers are studied by infrared spectroscopy in a nitrogen matrix and by ab initio calculations. We benefit from the use of a nitrogen matrix where the lifetime of the higher-energy (cis) conformer is very long (˜11 h vs. 7 min in an argon matrix). As a result, in a nitrogen matrix, a large proportion of the cis conformer can be produced by vibrational excitation of the lower-energy (trans) conformer. Three trans-trans, four trans-cis, and three cis-cis dimers are found in the experiments. The spectroscopic information on most of these dimers is enriched compared to the previous studies in an argon matrix. The cis-cis dimers of ordinary formic acid (without deuteration) are reported here for the first time. Several conformational processes are obtained using selective excitation by infrared light, some of them also for the first time. In particular, we report on the formation of cis-cis dimers upon vibrational excitation of trans-cis dimers. Tunneling decays of several dimers have been detected in the dark. The tunneling decay of cis-cis dimers of formic acid as well as the stabilization of cis units in cis-cis dimers is also observed for the first time.

  3. Nuclear reaction matrix and nuclear forces

    International Nuclear Information System (INIS)

    Nagata, Sinobu; Bando, Hiroharu; Akaishi, Yoshinori.

    1979-01-01

    An essentially exact method of solution is presented for the reaction- matrix (G-matrix) equation defined with the orthogonalized plane-wave intermediate spectrum for high-lying two-particle states. The accuracy is examined for introduced truncations and also in comparison with the Tsai-Kuo and Sauer methods. Properties of the G-matrix are discussed with emphasis on the relation with the saturation mechanism, especially overall saturation from light to heavy nuclei. Density and starting-energy dependences of the G-matrix are separately extracted and discussed. It is demonstrated that the triplet-even tensor component of the nuclear force is principally responsible for these dependences and hence for the saturation mechanism. In this context different nuclear potentials are used in the renormalized Brueckner calculation for energies of closed-shell nuclei in the harmonic oscillator basis. A semi-phenomenological ''two-body potential'' is devised so that it can reproduce the saturation energies and densities of nuclear matter and finite nuclei in the lowest-order Brueckner treatment. It is composed of a realistic N-N potential and two additional parts; one incorporates the three-body force effect and the other is assumed to embody higher-cluster correlations in G. The tensor component in the triplet-even state of this potential is enhanced by the three-body force effect. The G-matrix is represented in the effective local form and decomposed into central, LS and tensor components. (author)

  4. Calculation of Rydberg interaction potentials

    DEFF Research Database (Denmark)

    Weber, Sebastian; Tresp, Christoph; Menke, Henri

    2017-01-01

    The strong interaction between individual Rydberg atoms provides a powerful tool exploited in an ever-growing range of applications in quantum information science, quantum simulation and ultracold chemistry. One hallmark of the Rydberg interaction is that both its strength and angular dependence...... for calculating the required electric multipole moments and the inclusion of electromagnetic fields with arbitrary direction. We focus specifically on symmetry arguments and selection rules, which greatly reduce the size of the Hamiltonian matrix, enabling the direct diagonalization of the Hamiltonian up...

  5. Parallel computational in nuclear group constant calculation

    International Nuclear Information System (INIS)

    Su'ud, Zaki; Rustandi, Yaddi K.; Kurniadi, Rizal

    2002-01-01

    In this paper parallel computational method in nuclear group constant calculation using collision probability method will be discuss. The main focus is on the calculation of collision matrix which need large amount of computational time. The geometry treated here is concentric cylinder. The calculation of collision probability matrix is carried out using semi analytic method using Beckley Naylor Function. To accelerate computation speed some computer parallel used to solve the problem. We used LINUX based parallelization using PVM software with C or fortran language. While in windows based we used socket programming using DELPHI or C builder. The calculation results shows the important of optimal weight for each processor in case there area many type of processor speed

  6. Correlation functions of two-matrix models

    International Nuclear Information System (INIS)

    Bonora, L.; Xiong, C.S.

    1993-11-01

    We show how to calculate correlation functions of two matrix models without any approximation technique (except for genus expansion). In particular we do not use any continuum limit technique. This allows us to find many solutions which are invisible to the latter technique. To reach our goal we make full use of the integrable hierarchies and their reductions which were shown in previous papers to naturally appear in multi-matrix models. The second ingredient we use, even though to a lesser extent, are the W-constraints. In fact an explicit solution of the relevant hierarchy, satisfying the W-constraints (string equation), underlies the explicit calculation of the correlation functions. The correlation functions we compute lend themselves to a possible interpretation in terms of topological field theories. (orig.)

  7. ANL Critical Assembly Covariance Matrix Generation - Addendum

    Energy Technology Data Exchange (ETDEWEB)

    McKnight, Richard D. [Argonne National Lab. (ANL), Argonne, IL (United States); Grimm, Karl N. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2014-01-13

    In March 2012, a report was issued on covariance matrices for Argonne National Laboratory (ANL) critical experiments. That report detailed the theory behind the calculation of covariance matrices and the methodology used to determine the matrices for a set of 33 ANL experimental set-ups. Since that time, three new experiments have been evaluated and approved. This report essentially updates the previous report by adding in these new experiments to the preceding covariance matrix structure.

  8. TRASYS form factor matrix normalization

    Science.gov (United States)

    Tsuyuki, Glenn T.

    1992-01-01

    A method has been developed for adjusting a TRASYS enclosure form factor matrix to unity. This approach is not limited to closed geometries, and in fact, it is primarily intended for use with open geometries. The purpose of this approach is to prevent optimistic form factors to space. In this method, nodal form factor sums are calculated within 0.05 of unity using TRASYS, although deviations as large as 0.10 may be acceptable, and then, a process is employed to distribute the difference amongst the nodes. A specific example has been analyzed with this method, and a comparison was performed with a standard approach for calculating radiation conductors. In this comparison, hot and cold case temperatures were determined. Exterior nodes exhibited temperature differences as large as 7 C and 3 C for the hot and cold cases, respectively when compared with the standard approach, while interior nodes demonstrated temperature differences from 0 C to 5 C. These results indicate that temperature predictions can be artificially biased if the form factor computation error is lumped into the individual form factors to space.

  9. Difference equations in massive higher order calculations

    International Nuclear Information System (INIS)

    Bierenbaum, I.; Bluemlein, J.; Klein, S.; Schneider, C.

    2007-07-01

    The calculation of massive 2-loop operator matrix elements, required for the higher order Wilson coefficients for heavy flavor production in deeply inelastic scattering, leads to new types of multiple infinite sums over harmonic sums and related functions, which depend on the Mellin parameter N. We report on the solution of these sums through higher order difference equations using the summation package Sigma. (orig.)

  10. Calculation of the CIPW norm: New formulas

    Indian Academy of Sciences (India)

    A completely new set of formulas, based on matrix algebra, has been suggested for the calculation of the CIPW norm for ...... Techniques (New York: John Wiley & Sons) 527 pp. Johannsen A ... alogical Magazine 34 276–282. Le Bas M J, Le ...

  11. Staggering towards a calculation of weak amplitudes

    Energy Technology Data Exchange (ETDEWEB)

    Sharpe, S.R.

    1988-09-01

    An explanation is given of the methods required to calculate hadronic matrix elements of the weak Hamiltonians using lattice QCD with staggered fermions. New results are presented for the 1-loop perturbative mixing of the weak interaction operators. New numerical techniques designed for staggered fermions are described. A preliminary result for the kaon B parameter is presented. 24 refs., 3 figs.

  12. Calculation of nucleon electromagnetic form factors

    International Nuclear Information System (INIS)

    Renner, D.B.; Brower, R.; Dolgov, D.; Eicker, N.; Lippert, Th.; Negele, J.W.; Pochinsky, A.; Schilling, K.

    2003-01-01

    The formalism is developed to express nucleon matrix elements of the electromagnetic current in terms of form factors consistent with the translational, rotational, and parity symmetries of a cubic lattice. We calculate the number of these form factors and show how appropriate linear combinations approach the continuum limit

  13. Exactly soluble matrix models

    International Nuclear Information System (INIS)

    Raju Viswanathan, R.

    1991-09-01

    We study examples of one dimensional matrix models whose potentials possess an energy spectrum that can be explicitly determined. This allows for an exact solution in the continuum limit. Specifically, step-like potentials and the Morse potential are considered. The step-like potentials show no scaling behaviour and the Morse potential (which corresponds to a γ = -1 model) has the interesting feature that there are no quantum corrections to the scaling behaviour in the continuum limit. (author). 5 refs

  14. Inside the NIKE matrix

    OpenAIRE

    Brenner, Barbara; Schlegelmilch, Bodo B.; Ambos, Björn

    2013-01-01

    This case describes how Nike, a consumer goods company with an ever expanding portfolio and a tremendous brand value, manages the tradeoff between local responsiveness and global integration. In particular, the case highlights Nike's organizational structure that consists of a global matrix organization that is replicated at a regional level for the European market. While this organizational structure allows Nike to respond to local consumer tastes it also ensures that the company benefits f...

  15. A matrix contraction process

    Science.gov (United States)

    Wilkinson, Michael; Grant, John

    2018-03-01

    We consider a stochastic process in which independent identically distributed random matrices are multiplied and where the Lyapunov exponent of the product is positive. We continue multiplying the random matrices as long as the norm, ɛ, of the product is less than unity. If the norm is greater than unity we reset the matrix to a multiple of the identity and then continue the multiplication. We address the problem of determining the probability density function of the norm, \

  16. Matrix String Theory

    CERN Document Server

    Dijkgraaf, R; Verlinde, Herman L

    1997-01-01

    Via compactification on a circle, the matrix model of M-theory proposed by Banks et al suggests a concrete identification between the large N limit of two-dimensional N=8 supersymmetric Yang-Mills theory and type IIA string theory. In this paper we collect evidence that supports this identification. We explicitly identify the perturbative string states and their interactions, and describe the appearance of D-particle and D-membrane states.

  17. Matrix groups for undergraduates

    CERN Document Server

    Tapp, Kristopher

    2016-01-01

    Matrix groups touch an enormous spectrum of the mathematical arena. This textbook brings them into the undergraduate curriculum. It makes an excellent one-semester course for students familiar with linear and abstract algebra and prepares them for a graduate course on Lie groups. Matrix Groups for Undergraduates is concrete and example-driven, with geometric motivation and rigorous proofs. The story begins and ends with the rotations of a globe. In between, the author combines rigor and intuition to describe the basic objects of Lie theory: Lie algebras, matrix exponentiation, Lie brackets, maximal tori, homogeneous spaces, and roots. This second edition includes two new chapters that allow for an easier transition to the general theory of Lie groups. From reviews of the First Edition: This book could be used as an excellent textbook for a one semester course at university and it will prepare students for a graduate course on Lie groups, Lie algebras, etc. … The book combines an intuitive style of writing w...

  18. Extracellular matrix structure.

    Science.gov (United States)

    Theocharis, Achilleas D; Skandalis, Spyros S; Gialeli, Chrysostomi; Karamanos, Nikos K

    2016-02-01

    Extracellular matrix (ECM) is a non-cellular three-dimensional macromolecular network composed of collagens, proteoglycans/glycosaminoglycans, elastin, fibronectin, laminins, and several other glycoproteins. Matrix components bind each other as well as cell adhesion receptors forming a complex network into which cells reside in all tissues and organs. Cell surface receptors transduce signals into cells from ECM, which regulate diverse cellular functions, such as survival, growth, migration, and differentiation, and are vital for maintaining normal homeostasis. ECM is a highly dynamic structural network that continuously undergoes remodeling mediated by several matrix-degrading enzymes during normal and pathological conditions. Deregulation of ECM composition and structure is associated with the development and progression of several pathologic conditions. This article emphasizes in the complex ECM structure as to provide a better understanding of its dynamic structural and functional multipotency. Where relevant, the implication of the various families of ECM macromolecules in health and disease is also presented. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. Convergence Improvement of Response Matrix Method with Large Discontinuity Factors

    International Nuclear Information System (INIS)

    Yamamoto, Akio

    2003-01-01

    In the response matrix method, a numerical divergence problem has been reported when extremely small or large discontinuity factors are utilized in the calculations. In this paper, an alternative response matrix formulation to solve the divergence problem is discussed, and properties of iteration matrixes are investigated through eigenvalue analyses. In the conventional response matrix formulation, partial currents between adjacent nodes are assumed to be discontinuous, and outgoing partial currents are converted into incoming partial currents by the discontinuity factor matrix. Namely, the partial currents of the homogeneous system (i.e., homogeneous partial currents) are treated in the conventional response matrix formulation. In this approach, the spectral radius of an iteration matrix for the partial currents may exceed unity when an extremely small or large discontinuity factor is used. Contrary to this, an alternative response matrix formulation using heterogeneous partial currents is discussed in this paper. In the latter approach, partial currents are assumed to be continuous between adjacent nodes, and discontinuity factors are directly considered in the coefficients of a response matrix. From the eigenvalue analysis of the iteration matrix for the one-group, one-dimensional problem, the spectral radius for the heterogeneous partial current formulation does not exceed unity even if an extremely small or large discontinuity factor is used in the calculation; numerical stability of the alternative formulation is superior to the conventional one. The numerical stability of the heterogeneous partial current formulation is also confirmed by the two-dimensional light water reactor core analysis. Since the heterogeneous partial current formulation does not require any approximation, the converged solution exactly reproduces the reference solution when the discontinuity factors are directly derived from the reference calculation

  20. Standard Errors for Matrix Correlations.

    Science.gov (United States)

    Ogasawara, Haruhiko

    1999-01-01

    Derives the asymptotic standard errors and intercorrelations for several matrix correlations assuming multivariate normality for manifest variables and derives the asymptotic standard errors of the matrix correlations for two factor-loading matrices. (SLD)

  1. Fast matrix factorization algorithm for DOSY based on the eigenvalue decomposition and the difference approximation focusing on the size of observed matrix

    International Nuclear Information System (INIS)

    Tanaka, Yuho; Uruma, Kazunori; Furukawa, Toshihiro; Nakao, Tomoki; Izumi, Kenya; Utsumi, Hiroaki

    2017-01-01

    This paper deals with an analysis problem for diffusion-ordered NMR spectroscopy (DOSY). DOSY is formulated as a matrix factorization problem of a given observed matrix. In order to solve this problem, a direct exponential curve resolution algorithm (DECRA) is well known. DECRA is based on singular value decomposition; the advantage of this algorithm is that the initial value is not required. However, DECRA requires a long calculating time, depending on the size of the given observed matrix due to the singular value decomposition, and this is a serious problem in practical use. Thus, this paper proposes a new analysis algorithm for DOSY to achieve a short calculating time. In order to solve matrix factorization for DOSY without using singular value decomposition, this paper focuses on the size of the given observed matrix. The observed matrix in DOSY is also a rectangular matrix with more columns than rows, due to limitation of the measuring time; thus, the proposed algorithm transforms the given observed matrix into a small observed matrix. The proposed algorithm applies the eigenvalue decomposition and the difference approximation to the small observed matrix, and the matrix factorization problem for DOSY is solved. The simulation and a data analysis show that the proposed algorithm achieves a lower calculating time than DECRA as well as similar analysis result results to DECRA. (author)

  2. New developments in multireference and complete configuration interaction calculations

    International Nuclear Information System (INIS)

    Knowles, P.J.; Werner, H.J.

    1987-01-01

    Some recently developed techniques for the calculation of Hamiltonian matrix elements in molecular electronic structure calculations are described. These techniques allow the very rapid calculation, in any desired order, of one particle coupling coefficients between spin symmetry adapted basis functions of arbitrary structure. The matrix elements that are required, for either internally contracted multireference CI calculations, or full CI calculations, are then obtainable from suitable summations over resolutions of the identity, which has been shown previously to be rather efficient; this is especially true on vector computers, since all arithmetic can be formulated as matrix multiplications. These ideas have culminated in the preparation of a new multireference CI program which is capable of handling very large numbers of reference configurations. Application of the new techniques to full CI calculations are also presented

  3. Scattering of long folded strings and mixed correlators in the two-matrix model

    International Nuclear Information System (INIS)

    Bourgine, J.-E.; Hosomichi, K.; Kostov, I.; Matsuo, Y.

    2008-01-01

    We study the interactions of Maldacena's long folded strings in two-dimensional string theory. We find the amplitude for a state containing two long folded strings to come and go back to infinity. We calculate this amplitude both in the worldsheet theory and in the dual matrix model, the matrix quantum mechanics. The matrix model description allows to evaluate the amplitudes involving any number of long strings, which are given by the mixed trace correlators in an effective two-matrix model

  4. Radiation damage calculations for compound materials

    International Nuclear Information System (INIS)

    Greenwood, L.R.

    1990-01-01

    This paper reports on the SPECOMP computer code, developed to calculate neutron-induced displacement damage cross sections for compound materials such as alloys, insulators, and ceramic tritium breeders for fusion reactors. These new calculations rely on recoil atom energy distributions previously computed with the DISCS computer code, the results of which are stored in SPECTER computer code master libraries. All reaction channels were considered in the DISCS calculations and the neutron cross sections were taken from ENDF/B-V. Compound damage calculations with SPECOMP thus do not need to perform any recoil atom calculations and consequently need no access to ENDF or other neutron data bases. The calculations proceed by determining secondary displacements for each combination of recoil atom and matrix atom using the Lindhard partition of the recoil energy to establish the damage energy

  5. The cellulose resource matrix.

    Science.gov (United States)

    Keijsers, Edwin R P; Yılmaz, Gülden; van Dam, Jan E G

    2013-03-01

    The emerging biobased economy is causing shifts from mineral fossil oil based resources towards renewable resources. Because of market mechanisms, current and new industries utilising renewable commodities, will attempt to secure their supply of resources. Cellulose is among these commodities, where large scale competition can be expected and already is observed for the traditional industries such as the paper industry. Cellulose and lignocellulosic raw materials (like wood and non-wood fibre crops) are being utilised in many industrial sectors. Due to the initiated transition towards biobased economy, these raw materials are intensively investigated also for new applications such as 2nd generation biofuels and 'green' chemicals and materials production (Clark, 2007; Lange, 2007; Petrus & Noordermeer, 2006; Ragauskas et al., 2006; Regalbuto, 2009). As lignocellulosic raw materials are available in variable quantities and qualities, unnecessary competition can be avoided via the choice of suitable raw materials for a target application. For example, utilisation of cellulose as carbohydrate source for ethanol production (Kabir Kazi et al., 2010) avoids the discussed competition with easier digestible carbohydrates (sugars, starch) deprived from the food supply chain. Also for cellulose use as a biopolymer several different competing markets can be distinguished. It is clear that these applications and markets will be influenced by large volume shifts. The world will have to reckon with the increase of competition and feedstock shortage (land use/biodiversity) (van Dam, de Klerk-Engels, Struik, & Rabbinge, 2005). It is of interest - in the context of sustainable development of the bioeconomy - to categorize the already available and emerging lignocellulosic resources in a matrix structure. When composing such "cellulose resource matrix" attention should be given to the quality aspects as well as to the available quantities and practical possibilities of processing the

  6. Random matrix theory

    CERN Document Server

    Deift, Percy

    2009-01-01

    This book features a unified derivation of the mathematical theory of the three classical types of invariant random matrix ensembles-orthogonal, unitary, and symplectic. The authors follow the approach of Tracy and Widom, but the exposition here contains a substantial amount of additional material, in particular, facts from functional analysis and the theory of Pfaffians. The main result in the book is a proof of universality for orthogonal and symplectic ensembles corresponding to generalized Gaussian type weights following the authors' prior work. New, quantitative error estimates are derive

  7. Matrix vector analysis

    CERN Document Server

    Eisenman, Richard L

    2005-01-01

    This outstanding text and reference applies matrix ideas to vector methods, using physical ideas to illustrate and motivate mathematical concepts but employing a mathematical continuity of development rather than a physical approach. The author, who taught at the U.S. Air Force Academy, dispenses with the artificial barrier between vectors and matrices--and more generally, between pure and applied mathematics.Motivated examples introduce each idea, with interpretations of physical, algebraic, and geometric contexts, in addition to generalizations to theorems that reflect the essential structur

  8. Theoretical evaluation of matrix effects on trapped atomic levels

    Energy Technology Data Exchange (ETDEWEB)

    Das, G.P.; Gruen, D.M.

    1986-06-01

    We suggest a theoretical model for calculating the matrix perturbation on the spectra of atoms trapped in rare gas systems. The model requires the ''potential curves'' of the diatomic system consisting of the trapped atom interacting with one from the matrix and relies on the approximation that the total matrix perturbation is a scalar sum of the pairwise interactions with each of the lattice sites. Calculations are presented for the prototype systems Na in Ar. Attempts are made to obtain ab initio estimates of the Jahn-Teller effects for excited states. Comparison is made with our recent Matrix-Isolation Spectroscopic (MIS) data. 10 refs., 3 tabs.

  9. Chern-Simons matrix models and unoriented strings

    International Nuclear Information System (INIS)

    Halmagyi, Nick; Yasnov, Vadim

    2004-01-01

    For matrix models with measure on the Lie algebra of SO/Sp, the sub-leading free energy is given by F 1 (S) ±{1/4}({δF 0 (S)}/{δS}). Motivated by the fact that this relationship does not hold for Chern-Simons theory on S 3 , we calculate the sub-leading free energy in the matrix model for this theory, which is a Gaussian matrix model with Haar measure on the group SO/Sp. We derive a quantum loop equation for this matrix model and then find that F 1 is an integral of the leading order resolvent over the spectral curve. We explicitly calculate this integral for quadratic potential and find agreement with previous studies of SO/Sp Chern-Simons theory. (author)

  10. Estimating Depolarization with the Jones Matrix Quality Factor

    Science.gov (United States)

    Hilfiker, James N.; Hale, Jeffrey S.; Herzinger, Craig M.; Tiwald, Tom; Hong, Nina; Schöche, Stefan; Arwin, Hans

    2017-11-01

    Mueller matrix (MM) measurements offer the ability to quantify the depolarization capability of a sample. Depolarization can be estimated using terms such as the depolarization index or the average degree of polarization. However, these calculations require measurement of the complete MM. We propose an alternate depolarization metric, termed the Jones matrix quality factor, QJM, which does not require the complete MM. This metric provides a measure of how close, in a least-squares sense, a Jones matrix can be found to the measured Mueller matrix. We demonstrate and compare the use of QJM to other traditional calculations of depolarization for both isotropic and anisotropic depolarizing samples; including non-uniform coatings, anisotropic crystal substrates, and beetle cuticles that exhibit both depolarization and circular diattenuation.

  11. Matrix algebra for linear models

    CERN Document Server

    Gruber, Marvin H J

    2013-01-01

    Matrix methods have evolved from a tool for expressing statistical problems to an indispensable part of the development, understanding, and use of various types of complex statistical analyses. This evolution has made matrix methods a vital part of statistical education. Traditionally, matrix methods are taught in courses on everything from regression analysis to stochastic processes, thus creating a fractured view of the topic. Matrix Algebra for Linear Models offers readers a unique, unified view of matrix analysis theory (where and when necessary), methods, and their applications. Written f

  12. Characterization of supercapacitors matrix

    Energy Technology Data Exchange (ETDEWEB)

    Sakka, Monzer Al, E-mail: Monzer.Al.Sakka@vub.ac.b [Vrije Universiteit Brussel, pleinlaan 2, B-1050 Brussels (Belgium); FEMTO-ST Institute, ENISYS Department, FCLAB, UFC-UTBM, bat.F, 90010 Belfort (France); Gualous, Hamid, E-mail: Hamid.Gualous@unicaen.f [Laboratoire LUSAC, Universite de Caen Basse Normandie, Rue Louis Aragon - BP 78, 50130 Cherbourg-Octeville (France); Van Mierlo, Joeri [Vrije Universiteit Brussel, pleinlaan 2, B-1050 Brussels (Belgium)

    2010-10-30

    This paper treats supercapacitors matrix characterization. In order to cut off transient power peaks and to compensate for the intrinsic limitations in embedded sources, the use of supercapacitors as a storage system is quite suitable, because of their appropriate electrical characteristics (huge capacitance, small series resistance, high specific energy, high specific power), direct storage (energy ready for use), and easy control by power electronic conversion. This use requires supercapacitors modules where several cells connected in serial and/or in parallel, thus a bypass system to balance the charging or the discharging of supercapacitors is required. In the matrix of supercapacitors, six elements of three parallel BCAP0350 supercapacitors in serial connections have been considered. This topology permits to reduce the number of the bypass circuits and it can work in degraded mode. Actually, it allows the system to have more reliability by providing power continually to the load even when there are one or more cells failed. Simulation and experimental results are presented and discussed.

  13. Characterization of supercapacitors matrix

    International Nuclear Information System (INIS)

    Sakka, Monzer Al; Gualous, Hamid; Van Mierlo, Joeri

    2010-01-01

    This paper treats supercapacitors matrix characterization. In order to cut off transient power peaks and to compensate for the intrinsic limitations in embedded sources, the use of supercapacitors as a storage system is quite suitable, because of their appropriate electrical characteristics (huge capacitance, small series resistance, high specific energy, high specific power), direct storage (energy ready for use), and easy control by power electronic conversion. This use requires supercapacitors modules where several cells connected in serial and/or in parallel, thus a bypass system to balance the charging or the discharging of supercapacitors is required. In the matrix of supercapacitors, six elements of three parallel BCAP0350 supercapacitors in serial connections have been considered. This topology permits to reduce the number of the bypass circuits and it can work in degraded mode. Actually, it allows the system to have more reliability by providing power continually to the load even when there are one or more cells failed. Simulation and experimental results are presented and discussed.

  14. SIMPLE FLUID IN AN ATTRACTIVE, DISORDERED POLYDISPERSE MATRIX

    Directory of Open Access Journals (Sweden)

    T.Patsahan

    2004-01-01

    Full Text Available The extension of the replica Ornstein-Zernike (ROZ equations is applied to the study of the structural properties of a Lennard-Jones fluid confined in an attractive polydisperse disordered matrix. The ROZ equations in combination with the orthogonal polynomial expansions for the correlation functions are used. The radial distribution functions are calculated for the adsorbed fluid at different temperatures. The effect of matrix polydispersity on the excess internal energy is considered in our study as well.

  15. Magnetic Field Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Magnetic Field Calculator will calculate the total magnetic field, including components (declination, inclination, horizontal intensity, northerly intensity,...

  16. Response Matrix Method Development Program at Savannah River Laboratory

    International Nuclear Information System (INIS)

    Sicilian, J.M.

    1976-01-01

    The Response Matrix Method Development Program at Savannah River Laboratory (SRL) has concentrated on the development of an effective system of computer codes for the analysis of Savannah River Plant (SRP) reactors. The most significant contribution of this program to date has been the verification of the accuracy of diffusion theory codes as used for routine analysis of SRP reactor operation. This paper documents the two steps carried out in achieving this verification: confirmation of the accuracy of the response matrix technique through comparison with experiment and Monte Carlo calculations; and establishment of agreement between diffusion theory and response matrix codes in situations which realistically approximate actual operating conditions

  17. Universality of correlation functions in random matrix models of QCD

    International Nuclear Information System (INIS)

    Jackson, A.D.; Sener, M.K.; Verbaarschot, J.J.M.

    1997-01-01

    We demonstrate the universality of the spectral correlation functions of a QCD inspired random matrix model that consists of a random part having the chiral structure of the QCD Dirac operator and a deterministic part which describes a schematic temperature dependence. We calculate the correlation functions analytically using the technique of Itzykson-Zuber integrals for arbitrary complex supermatrices. An alternative exact calculation for arbitrary matrix size is given for the special case of zero temperature, and we reproduce the well-known Laguerre kernel. At finite temperature, the microscopic limit of the correlation functions are calculated in the saddle-point approximation. The main result of this paper is that the microscopic universality of correlation functions is maintained even though unitary invariance is broken by the addition of a deterministic matrix to the ensemble. (orig.)

  18. Ceramic matrix and resin matrix composites - A comparison

    Science.gov (United States)

    Hurwitz, Frances I.

    1987-01-01

    The underlying theory of continuous fiber reinforcement of ceramic matrix and resin matrix composites, their fabrication, microstructure, physical and mechanical properties are contrasted. The growing use of organometallic polymers as precursors to ceramic matrices is discussed as a means of providing low temperature processing capability without the fiber degradation encountered with more conventional ceramic processing techniques. Examples of ceramic matrix composites derived from particulate-filled, high char yield polymers and silsesquioxane precursors are provided.

  19. Ceramic matrix and resin matrix composites: A comparison

    Science.gov (United States)

    Hurwitz, Frances I.

    1987-01-01

    The underlying theory of continuous fiber reinforcement of ceramic matrix and resin matrix composites, their fabrication, microstructure, physical and mechanical properties are contrasted. The growing use of organometallic polymers as precursors to ceramic matrices is discussed as a means of providing low temperature processing capability without the fiber degradation encountered with more conventional ceramic processing techniques. Examples of ceramic matrix composites derived from particulate-filled, high char yield polymers and silsesquioxane precursors are provided.

  20. Matrix factorizations, minimal models and Massey products

    International Nuclear Information System (INIS)

    Knapp, Johanna; Omer, Harun

    2006-01-01

    We present a method to compute the full non-linear deformations of matrix factorizations for ADE minimal models. This method is based on the calculation of higher products in the cohomology, called Massey products. The algorithm yields a polynomial ring whose vanishing relations encode the obstructions of the deformations of the D-branes characterized by these matrix factorizations. This coincides with the critical locus of the effective superpotential which can be computed by integrating these relations. Our results for the effective superpotential are in agreement with those obtained from solving the A-infinity relations. We point out a relation to the superpotentials of Kazama-Suzuki models. We will illustrate our findings by various examples, putting emphasis on the E 6 minimal model

  1. A matrix big bang

    International Nuclear Information System (INIS)

    Craps, Ben; Sethi, Savdeep; Verlinde, Erik

    2005-01-01

    The light-like linear dilaton background represents a particularly simple time-dependent 1/2 BPS solution of critical type-IIA superstring theory in ten dimensions. Its lift to M-theory, as well as its Einstein frame metric, are singular in the sense that the geometry is geodesically incomplete and the Riemann tensor diverges along a light-like subspace of codimension one. We study this background as a model for a big bang type singularity in string theory/M-theory. We construct the dual Matrix theory description in terms of a (1+1)-d supersymmetric Yang-Mills theory on a time-dependent world-sheet given by the Milne orbifold of (1+1)-d Minkowski space. Our model provides a framework in which the physics of the singularity appears to be under control

  2. A matrix big bang

    Energy Technology Data Exchange (ETDEWEB)

    Craps, Ben [Instituut voor Theoretische Fysica, Universiteit van Amsterdam, Valckenierstraat 65, 1018 XE Amsterdam (Netherlands); Sethi, Savdeep [Enrico Fermi Institute, University of Chicago, Chicago, IL 60637 (United States); Verlinde, Erik [Instituut voor Theoretische Fysica, Universiteit van Amsterdam, Valckenierstraat 65, 1018 XE Amsterdam (Netherlands)

    2005-10-15

    The light-like linear dilaton background represents a particularly simple time-dependent 1/2 BPS solution of critical type-IIA superstring theory in ten dimensions. Its lift to M-theory, as well as its Einstein frame metric, are singular in the sense that the geometry is geodesically incomplete and the Riemann tensor diverges along a light-like subspace of codimension one. We study this background as a model for a big bang type singularity in string theory/M-theory. We construct the dual Matrix theory description in terms of a (1+1)-d supersymmetric Yang-Mills theory on a time-dependent world-sheet given by the Milne orbifold of (1+1)-d Minkowski space. Our model provides a framework in which the physics of the singularity appears to be under control.

  3. Matrix metalloproteinases outside vertebrates.

    Science.gov (United States)

    Marino-Puertas, Laura; Goulas, Theodoros; Gomis-Rüth, F Xavier

    2017-11-01

    The matrix metalloproteinase (MMP) family belongs to the metzincin clan of zinc-dependent metallopeptidases. Due to their enormous implications in physiology and disease, MMPs have mainly been studied in vertebrates. They are engaged in extracellular protein processing and degradation, and present extensive paralogy, with 23 forms in humans. One characteristic of MMPs is a ~165-residue catalytic domain (CD), which has been structurally studied for 14 MMPs from human, mouse, rat, pig and the oral-microbiome bacterium Tannerella forsythia. These studies revealed close overall coincidence and characteristic structural features, which distinguish MMPs from other metzincins and give rise to a sequence pattern for their identification. Here, we reviewed the literature available on MMPs outside vertebrates and performed database searches for potential MMP CDs in invertebrates, plants, fungi, viruses, protists, archaea and bacteria. These and previous results revealed that MMPs are widely present in several copies in Eumetazoa and higher plants (Tracheophyta), but have just token presence in eukaryotic algae. A few dozen sequences were found in Ascomycota (within fungi) and in double-stranded DNA viruses infecting invertebrates (within viruses). In contrast, a few hundred sequences were found in archaea and >1000 in bacteria, with several copies for some species. Most of the archaeal and bacterial phyla containing potential MMPs are present in human oral and gut microbiomes. Overall, MMP-like sequences are present across all kingdoms of life, but their asymmetric distribution contradicts the vertical descent model from a eubacterial or archaeal ancestor. This article is part of a Special Issue entitled: Matrix Metalloproteinases edited by Rafael Fridman. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Microscopic calculation of the 4He system

    International Nuclear Information System (INIS)

    Hofmann, H.M.

    1996-01-01

    We report on a consistent, microscopic calculation of the bound and scattering states in the 4 He system employing a realistic nucleon-nucleon potential in the framework of the resonating group model (RGM). We present for comparison with these microscopic RGM calculations the results from a charge-independent, Coulomb-corrected R-matrix analysis of all types of data for reactions in the A=4 system. Comparisons are made between the phase shifts, and with a selection of measurements from each reaction, as well as between the resonance spectra obtained from both calculations. In general, the comparisons are favorable, but distinct differences are observed between the RGM calculations and some of the polarisation data. The partial-wave decomposition of the experimental data produced by the R-matrix analysis shows that these differences can be attributed to just a few S-matrix elements, for which inadequate tensor-force strength in the N-N interaction used appears to be responsible. (orig.)

  5. Determination of Matrix Diffusion Properties of Granite

    International Nuclear Information System (INIS)

    Holtta, Pirkko; Siitari-Kauppi, Marja; Huittinen, Nina; Poteri, Antti

    2007-01-01

    Rock-core column experiments were introduced to estimate the diffusion and sorption properties of Kuru Grey granite used in block-scale experiments. The objective was to examine the processes causing retention in solute transport through rock fractures, especially matrix diffusion. The objective was also to estimate the importance of retention processes during transport in different scales and flow conditions. Rock-core columns were constructed from cores drilled into the fracture and were placed inside tubes to form flow channels in the 0.5 mm gap between the cores and the tube walls. Tracer experiments were performed using uranin, HTO, 36 Cl, 131 I, 22 Na and 85 Sr at flow rates of 1-50 μL.min -1 . Rock matrix was characterized using 14 C-PMMA method, scanning electron microscopy (SEM), energy dispersive X-ray micro analysis (EDX) and the B.E.T. method. Solute mass flux through a column was modelled by applying the assumption of a linear velocity profile and molecular diffusion. Coupling of the advection and diffusion processes was based on the model of generalised Taylor dispersion in the linear velocity profile. Experiments could be modelled applying a consistent parameterization and transport processes. The results provide evidence that it is possible to investigate matrix diffusion at the laboratory scale. The effects of matrix diffusion were demonstrated on the slightly-sorbing tracer breakthrough curves. Based on scoping calculations matrix diffusion begins to be clearly observable for non-sorbing tracer when the flow rate is 0.1 μL.min -1 . The experimental results presented here cannot be transferred directly to the spatial and temporal scales that prevail in an underground repository. However, the knowledge and understanding of transport and retention processes gained from this study is transferable to different scales from laboratory to in-situ conditions. (authors)

  6. CO2 flowrate calculator

    International Nuclear Information System (INIS)

    Carossi, Jean-Claude

    1969-02-01

    A CO 2 flowrate calculator has been designed for measuring and recording the gas flow in the loops of Pegase reactor. The analog calculator applies, at every moment, Bernoulli's formula to the values that characterize the carbon dioxide flow through a nozzle. The calculator electronics is described (it includes a sampling calculator and a two-variable function generator), with its amplifiers, triggers, interpolator, multiplier, etc. Calculator operation and setting are presented

  7. On matrix fractional differential equations

    OpenAIRE

    Adem Kılıçman; Wasan Ajeel Ahmood

    2017-01-01

    The aim of this article is to study the matrix fractional differential equations and to find the exact solution for system of matrix fractional differential equations in terms of Riemann–Liouville using Laplace transform method and convolution product to the Riemann–Liouville fractional of matrices. Also, we show the theorem of non-homogeneous matrix fractional partial differential equation with some illustrative examples to demonstrate the effectiveness of the new methodology. The main objec...

  8. Hybrid transfer-matrix FDTD method for layered periodic structures.

    Science.gov (United States)

    Deinega, Alexei; Belousov, Sergei; Valuev, Ilya

    2009-03-15

    A hybrid transfer-matrix finite-difference time-domain (FDTD) method is proposed for modeling the optical properties of finite-width planar periodic structures. This method can also be applied for calculation of the photonic bands in infinite photonic crystals. We describe the procedure of evaluating the transfer-matrix elements by a special numerical FDTD simulation. The accuracy of the new method is tested by comparing computed transmission spectra of a 32-layered photonic crystal composed of spherical or ellipsoidal scatterers with the results of direct FDTD and layer-multiple-scattering calculations.

  9. The TRUPACT-II Matrix Depleton Program

    International Nuclear Information System (INIS)

    Connolly, M.J.; Djordjevic, S.M.; Loehr, C.A.; Smith, M.C.; Banjac, V.; Lyon, W.F.

    1995-01-01

    Contact-handled transuranic (CH-TRU) wastes will be shipped and disposed at the Waste Isolation Pilot Plant (WIPP) repository in the Transuranic Package Transporter-II (TRUPACT-II) shipping package. A primary transportation requirement for the TRUPACT-II is that the concentration of potentially flammable gases (i.e., hydrogen and methane) must not exceed 5 percent by volume in the package or the payload during a 60-day shipping period. Decomposition of waste materials by radiation, or radiolysis, is the predominant mechanism of gas generation during transport. The gas generation potential of a target waste material is characterized by a G-value, which is the number of molecules of gas generated per 100 eV of ionizing radiation absorbed by the target material. To demonstrate compliance with the flammable gas concentration requirement, theoretical worst-case calculations were performed to establish allowable wattage (decay heat) limits for waste containers. The calculations were based on the G-value for the waste material with the highest potential for flammable gas generation. The calculations also made no allowances for decreases of the G-value over time due to matrix depletion phenomena that have been observed by many experimenters. Matrix depletion occurs over time when an alpha-generating source particle alters the target material (by evaporation, reaction, or decomposition) into a material of lower gas generating potential. The net effect of these alterations is represented by the ''effective G-value.''

  10. Matrix transformations and sequence spaces

    International Nuclear Information System (INIS)

    Nanda, S.

    1983-06-01

    In most cases the most general linear operator from one sequence space into another is actually given by an infinite matrix and therefore the theory of matrix transformations has always been of great interest in the study of sequence spaces. The study of general theory of matrix transformations was motivated by the special results in summability theory. This paper is a review article which gives almost all known results on matrix transformations. This also suggests a number of open problems for further study and will be very useful for research workers. (author)

  11. Multivariate Matrix-Exponential Distributions

    DEFF Research Database (Denmark)

    Bladt, Mogens; Nielsen, Bo Friis

    2010-01-01

    be written as linear combinations of the elements in the exponential of a matrix. For this reason we shall refer to multivariate distributions with rational Laplace transform as multivariate matrix-exponential distributions (MVME). The marginal distributions of an MVME are univariate matrix......-exponential distributions. We prove a characterization that states that a distribution is an MVME distribution if and only if all non-negative, non-null linear combinations of the coordinates have a univariate matrix-exponential distribution. This theorem is analog to a well-known characterization theorem...

  12. A matrix model for WZW

    International Nuclear Information System (INIS)

    Dorey, Nick; Tong, David; Turner, Carl

    2016-01-01

    We study a U(N) gauged matrix quantum mechanics which, in the large N limit, is closely related to the chiral WZW conformal field theory. This manifests itself in two ways. First, we construct the left-moving Kac-Moody algebra from matrix degrees of freedom. Secondly, we compute the partition function of the matrix model in terms of Schur and Kostka polynomials and show that, in the large N limit, it coincides with the partition function of the WZW model. This same matrix model was recently shown to describe non-Abelian quantum Hall states and the relationship to the WZW model can be understood in this framework.

  13. Correlation Matrix Renormalization Theory: Improving Accuracy with Two-Electron Density-Matrix Sum Rules.

    Science.gov (United States)

    Liu, C; Liu, J; Yao, Y X; Wu, P; Wang, C Z; Ho, K M

    2016-10-11

    We recently proposed the correlation matrix renormalization (CMR) theory to treat the electronic correlation effects [Phys. Rev. B 2014, 89, 045131 and Sci. Rep. 2015, 5, 13478] in ground state total energy calculations of molecular systems using the Gutzwiller variational wave function (GWF). By adopting a number of approximations, the computational effort of the CMR can be reduced to a level similar to Hartree-Fock calculations. This paper reports our recent progress in minimizing the error originating from some of these approximations. We introduce a novel sum-rule correction to obtain a more accurate description of the intersite electron correlation effects in total energy calculations. Benchmark calculations are performed on a set of molecules to show the reasonable accuracy of the method.

  14. Clay matrix voltammetry

    International Nuclear Information System (INIS)

    Perdicakis, Michel

    2012-01-01

    Document available in extended abstract form only. In many countries, it is planned that the long life highly radioactive nuclear spent fuel will be stored in deep argillaceous rocks. The sites selected for this purpose are anoxic and satisfy several recommendations as mechanical stability, low permeability and low redox potential. Pyrite (FeS 2 ), iron(II) carbonate, iron(II) bearing clays and organic matter that are present in very small amounts (about 1% w:w) in soils play a major role in their reactivity and are considered today as responsible for the low redox potential values of these sites. In this communication, we describe an electrochemical technique derived from 'Salt matrix voltammetry' and allowing the almost in-situ voltammetric characterization of air-sensitive samples of soils after the only addition of the minimum humidity required for electrolytic conduction. Figure 1 shows the principle of the developed technique. It consists in the entrapment of the clay sample between a graphite working electrode and a silver counter/quasi-reference electrode. The sample was previously humidified by passing a water saturated inert gas through the electrochemical cell. The technique leads to well-defined voltammetric responses of the electro-active components of the clays. Figure 2 shows a typical voltammogram relative to a Callovo-Oxfordian argillite sample from Bure, the French place planned for the underground nuclear waste disposal. During the direct scan, one can clearly distinguish the anodic voltammetric signals for the oxidation of the iron (II) species associated with the clay and the oxidation of pyrite. The reverse scan displays a small cathodic signal for the reduction of iron (III) associated with the clay that demonstrates that the majority of the previously oxidized iron (II) species were transformed into iron (III) oxides reducible at lower potentials. When a second voltammetric cycle is performed, one can notice that the signal for iron (II

  15. Using a source-receptor approach to characterise VOC behaviour in a French urban area influenced by industrial emissions. Part II: source contribution assessment using the Chemical Mass Balance (CMB) model.

    Science.gov (United States)

    Badol, Caroline; Locoge, Nadine; Galloo, Jean-Claude

    2008-01-25

    In Part I of this study (Badol C, Locoge N, Leonardis T, Gallo JC. Using a source-receptor approach to characterise VOC behaviour in a French urban area influenced by industrial emissions, Part I: Study area description, data set acquisition and qualitative data analysis of the data set. Sci Total Environ 2007; submitted as companion manuscript.) the study area, acquisition of the one-year data set and qualitative analysis of the data set have been described. In Part II a source profile has been established for each activity present in the study area: 6 profiles (urban heating, solvent use, natural gas leakage, biogenic emissions, gasoline evaporation and vehicle exhaust) have been extracted from literature to characterise urban sources, 7 industrial profiles have been established via canister sampling around industrial plants (hydrocarbon cracking, oil refinery, hydrocarbon storage, lubricant storage, lubricant refinery, surface treatment and metallurgy). The CMB model is briefly described and its implementation is discussed through the selection of source profiles and fitting species. Main results of CMB modellings for the Dunkerque area are presented. (1) The daily evolution of source contributions for the urban wind sector shows that the vehicle exhaust source contribution varies between 40 and 55% and its relative increase at traffic rush hours is hardly perceptible. (2) The relative contribution of vehicle exhaust varies from 55% in winter down to 30% in summer. This decrease is due to the increase of the relative contribution of hydrocarbon storage source reaching up to 20% in summer. (3) The evolution of source contributions with wind directions has confirmed that in urban wind sectors the contribution of vehicle exhaust dominate with around 45-55%. For the other wind sectors that include some industrial plants, the contribution of industrial sources is around 60% and could reach 80% for the sector 280-310 degrees , which corresponds to the most dense

  16. Domestic tourism in Uruguay: a matrix approach

    Directory of Open Access Journals (Sweden)

    Magdalena Domínguez Pérez

    2016-01-01

    Full Text Available In this paper domestic tourism in Uruguay is analyzed by introducing an Origin-Destination matrix approach, and an attraction coefficient is calculated. We show that Montevideo is an attractive destination to every department except itself (even if it emits more trips than it receives, and the Southeast region is the main destination. Another important outcome is the importance of intra-regional patterns, associated to trips to bordering departments. Findings provide destination managers with practical knowledge, useful for reducing seasonality and attracting more domestic tourists throughout the year, as well as to deliver a better service offer, that attracts both usual visitors and new ones from competitive destinations.

  17. Unambiguous results from variational matrix Pade approximants

    International Nuclear Information System (INIS)

    Pindor, Maciej.

    1979-10-01

    Variational Matrix Pade Approximants are studied as a nonlinear variational problem. It is shown that although a stationary value of the Schwinger functional is a stationary value of VMPA, the latter has also another stationary value. It is therefore proposed that instead of looking for a stationary point of VMPA, one minimizes some non-negative functional and then one calculates VMPA at the point where the former has the absolute minimum. This approach, which we call the Method of the Variational Gradient (MVG) gives unambiguous results and is also shown to minimize a distance between the approximate and the exact stationary values of the Schwinger functional

  18. Nonlinear response matrix methods for radiative transfer

    International Nuclear Information System (INIS)

    Miller, W.F. Jr.; Lewis, E.E.

    1987-01-01

    A nonlinear response matrix formalism is presented for the solution of time-dependent radiative transfer problems. The essential feature of the method is that within each computational cell the temperature is calculated in response to the incoming photons from all frequency groups. Thus the updating of the temperature distribution is placed within the iterative solution of the spaceangle transport problem, instead of being placed outside of it. The method is formulated for both grey and multifrequency problems and applied in slab geometry. The method is compared to the more conventional source iteration technique. 7 refs., 1 fig., 4 tabs

  19. Calculation of B(E2) for the 18F

    International Nuclear Information System (INIS)

    Almeida, F.I.A. de; Carlin Filho, N.; Chen, Y.T.; Coimbra, M.M.; Takai, H.; Mastroleo, R.C.; Silveira, L.A.; Villari, A.C.C.

    1982-03-01

    A detailed calculation of the reduced probability of transition B(E2) for 18 F, utilizing a simple model and the nucleon-nucleon interaction matrix given by Kuo-Brown is presented. In spite of the simplicity of the model, the results are satisfactory and are compared with the experimental data and other author calculations. (Author) [pt

  20. Development of the multistep compound process calculation code

    Energy Technology Data Exchange (ETDEWEB)

    Kawano, Toshihiko [Kyushu Univ., Fukuoka (Japan)

    1998-03-01

    A program `cmc` has been developed to calculate the multistep compound (MSC) process by Feshback-Kerman-Koonin. A radial overlap integral in the transition matrix element is calculated microscopically, and comparisons are made for neutron induced {sup 93}Nb reactions. Strengths of the two-body interaction V{sub 0} are estimated from the total MSC cross sections. (author)

  1. Ceramic matrix composite article and process of fabricating a ceramic matrix composite article

    Science.gov (United States)

    Cairo, Ronald Robert; DiMascio, Paul Stephen; Parolini, Jason Robert

    2016-01-12

    A ceramic matrix composite article and a process of fabricating a ceramic matrix composite are disclosed. The ceramic matrix composite article includes a matrix distribution pattern formed by a manifold and ceramic matrix composite plies laid up on the matrix distribution pattern, includes the manifold, or a combination thereof. The manifold includes one or more matrix distribution channels operably connected to a delivery interface, the delivery interface configured for providing matrix material to one or more of the ceramic matrix composite plies. The process includes providing the manifold, forming the matrix distribution pattern by transporting the matrix material through the manifold, and contacting the ceramic matrix composite plies with the matrix material.

  2. Preconditioned iterations to calculate extreme eigenvalues

    Energy Technology Data Exchange (ETDEWEB)

    Brand, C.W.; Petrova, S. [Institut fuer Angewandte Mathematik, Leoben (Austria)

    1994-12-31

    Common iterative algorithms to calculate a few extreme eigenvalues of a large, sparse matrix are Lanczos methods or power iterations. They converge at a rate proportional to the separation of the extreme eigenvalues from the rest of the spectrum. Appropriate preconditioning improves the separation of the eigenvalues. Davidson`s method and its generalizations exploit this fact. The authors examine a preconditioned iteration that resembles a truncated version of Davidson`s method with a different preconditioning strategy.

  3. Heterogeneous Calculation of {epsilon}

    Energy Technology Data Exchange (ETDEWEB)

    Jonsson, Alf

    1961-02-15

    A heterogeneous method of calculating the fast fission factor given by Naudet has been applied to the Carlvik - Pershagen definition of {epsilon}. An exact calculation of the collision probabilities is included in the programme developed for the Ferranti - Mercury computer.

  4. Heterogeneous Calculation of ε

    International Nuclear Information System (INIS)

    Jonsson, Alf

    1961-02-01

    A heterogeneous method of calculating the fast fission factor given by Naudet has been applied to the Carlvik - Pershagen definition of ε. An exact calculation of the collision probabilities is included in the programme developed for the Ferranti - Mercury computer

  5. Strategy BMT Al-Ittihad Using Matrix IE, Matrix SWOT 8K, Matrix SPACE and Matrix TWOS

    Directory of Open Access Journals (Sweden)

    Nofrizal Nofrizal

    2018-03-01

    Full Text Available This research aims to formulate and select BMT Al-Ittihad Rumbai strategy to face the changing of business environment both from internal environment such as organization resources, finance, member and external business such as competitor, economy, politics and others. This research method used Analysis of EFAS, IFAS, IE Matrix, SWOT-8K Matrix, SPACE Matrix and TWOS Matrix. our hope from this research it can assist BMT Al-Ittihad in formulating and selecting strategies for the sustainability of BMT Al-Ittihad in the future. The sample in this research is using purposive sampling technique that is the manager and leader of BMT Al-IttihadRumbaiPekanbaru. The result of this research shows that the position of BMT Al-Ittihad using IE Matrix, SWOT-8K Matrix and SPACE Matrix is in growth position, stabilization and aggressive. The choice of strategy after using TWOS Matrix is market penetration, market development, vertical integration, horizontal integration, and stabilization (careful.

  6. How to Study a Matrix

    Science.gov (United States)

    Jairam, Dharmananda; Kiewra, Kenneth A.; Kauffman, Douglas F.; Zhao, Ruomeng

    2012-01-01

    This study investigated how best to study a matrix. Fifty-three participants studied a matrix topically (1 column at a time), categorically (1 row at a time), or in a unified way (all at once). Results revealed that categorical and unified study produced higher: (a) performance on relationship and fact tests, (b) study material satisfaction, and…

  7. Calculated optical absorption of different perovskite phases

    DEFF Research Database (Denmark)

    Castelli, Ivano Eligio; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel

    2015-01-01

    We present calculations of the optical properties of a set of around 80 oxides, oxynitrides, and organometal halide cubic and layered perovskites (Ruddlesden-Popper and Dion-Jacobson phases) with a bandgap in the visible part of the solar spectrum. The calculations show that for different classes...... of perovskites the solar light absorption efficiency varies greatly depending not only on bandgap size and character (direct/indirect) but also on the dipole matrix elements. The oxides exhibit generally a fairly weak absorption efficiency due to indirect bandgaps while the most efficient absorbers are found...... in the classes of oxynitride and organometal halide perovskites with strong direct transitions....

  8. Criticality calculation of non-ordinary systems

    Energy Technology Data Exchange (ETDEWEB)

    Kalugin, A. V., E-mail: Kalugin-AV@nrcki.ru; Tebin, V. V. [National Research Centre Kurchatov Institute (Russian Federation)

    2016-12-15

    The specific features of calculation of the effective multiplication factor using the Monte Carlo method for weakly coupled and non-asymptotic multiplying systems are discussed. Particular examples are considered and practical recommendations on detection and Monte Carlo calculation of systems typical in numerical substantiation of nuclear safety for VVER fuel management problems are given. In particular, the problems of the choice of parameters for the batch mode and the method for normalization of the neutron batch, as well as finding and interpretation of the eigenvalue spectrum for the integral fission matrix, are discussed.

  9. Bulk metallic glass matrix composites

    International Nuclear Information System (INIS)

    Choi-Yim, H.; Johnson, W.L.

    1997-01-01

    Composites with a bulk metallic glass matrix were synthesized and characterized. This was made possible by the recent development of bulk metallic glasses that exhibit high resistance to crystallization in the undercooled liquid state. In this letter, experimental methods for processing metallic glass composites are introduced. Three different bulk metallic glass forming alloys were used as the matrix materials. Both ceramics and metals were introduced as reinforcement into the metallic glass. The metallic glass matrix remained amorphous after adding up to a 30 vol% fraction of particles or short wires. X-ray diffraction patterns of the composites show only peaks from the second phase particles superimposed on the broad diffuse maxima from the amorphous phase. Optical micrographs reveal uniformly distributed particles in the matrix. The glass transition of the amorphous matrix and the crystallization behavior of the composites were studied by calorimetric methods. copyright 1997 American Institute of Physics

  10. Machining of Metal Matrix Composites

    CERN Document Server

    2012-01-01

    Machining of Metal Matrix Composites provides the fundamentals and recent advances in the study of machining of metal matrix composites (MMCs). Each chapter is written by an international expert in this important field of research. Machining of Metal Matrix Composites gives the reader information on machining of MMCs with a special emphasis on aluminium matrix composites. Chapter 1 provides the mechanics and modelling of chip formation for traditional machining processes. Chapter 2 is dedicated to surface integrity when machining MMCs. Chapter 3 describes the machinability aspects of MMCs. Chapter 4 contains information on traditional machining processes and Chapter 5 is dedicated to the grinding of MMCs. Chapter 6 describes the dry cutting of MMCs with SiC particulate reinforcement. Finally, Chapter 7 is dedicated to computational methods and optimization in the machining of MMCs. Machining of Metal Matrix Composites can serve as a useful reference for academics, manufacturing and materials researchers, manu...

  11. Quantum mechanics in matrix form

    CERN Document Server

    Ludyk, Günter

    2018-01-01

    This book gives an introduction to quantum mechanics with the matrix method. Heisenberg's matrix mechanics is described in detail. The fundamental equations are derived by algebraic methods using matrix calculus. Only a brief description of Schrödinger's wave mechanics is given (in most books exclusively treated), to show their equivalence to Heisenberg's matrix  method. In the first part the historical development of Quantum theory by Planck, Bohr and Sommerfeld is sketched, followed by the ideas and methods of Heisenberg, Born and Jordan. Then Pauli's spin and exclusion principles are treated. Pauli's exclusion principle leads to the structure of atoms. Finally, Dirac´s relativistic quantum mechanics is shortly presented. Matrices and matrix equations are today easy to handle when implementing numerical algorithms using standard software as MAPLE and Mathematica.

  12. Cesium immobilization into potassium magnesium phosphate matrix

    International Nuclear Information System (INIS)

    Sayenko, S.Y.; Shkuropatenko, V.A.; Bereznyak, O.P.; Hodyreva, Y.S.; Tarasov, R.V.; Virych, V.D.; Ulybkina, E.A.; Pylypenko, O.V.; Kholomeev, G.O.; Zykova, A.V.; Wagh, Arun S.

    2017-01-01

    The possibility of isomorphous substitution of potassium ions by cesium ions in the structure of potassium magnesium phosphate KMgPO 4 centred dot 6H 2 O (PMP) was shown. It was established, that the Cs included into the PMP matrix does not transfer to the environment during high temperatures heating process (1176 deg C, 3 hours). Analysis of the IR absorption spectrum of the PMP sample has demonstrated that an increase in the amount of additive of the cesium chloride resulted in the shift of the main bands in the spectrum to the low-frequency region with average shift value 10 cm -1 , which indicates the strengthening of bonds in the crystal lattice of matter. The calculated degree of substitution of potassium by cesium during energy release process in the PMP matrix at the level of vitrified high level wastes is about 4%, i. e. the PMP matrix should correspond to the formula K 0.96 Cs 0.04 MgPO 4 centred dot 6H 2 O.

  13. Matrix fluid chemistry experiment. Final report June 1998 - March 2003

    International Nuclear Information System (INIS)

    Smellie, John A.T.; Waber, H. Niklaus; Frape, Shaun K.

    2003-06-01

    The Matrix Fluid Chemistry Experiment set out to determine the composition and evolution of matrix pore fluids/waters in low permeable rock located at repository depths in the Aespoe Hard Rock Laboratory (HRL). Matrix pore fluids/waters can be highly saline in composition and, if accessible, may influence the near-field groundwater chemistry of a repository system. Characterising pore fluids/waters involved in-situ borehole sampling and analysis integrated with laboratory studies and experiments on rock matrix drill core material. Relating the rate of in-situ pore water accumulation during sampling to the measured rock porosity indicated a hydraulic conductivity of 10 -14 -10 -13 m/s for the rock matrix. This was in accordance with earlier estimated predictions. The sampled matrix pore water, brackish in type, mostly represents older palaeo- groundwater mixtures preserved in the rock matrix and dating back to at least the last glaciation. A component of matrix pore 'fluid' is also present. One borehole section suggests a younger groundwater component which has accessed the rock matrix during the experiment. There is little evidence that the salinity of the matrix pore waters has been influenced significantly by fluid inclusion populations hosted by quartz. Crush/leach, cation exchange, pore water diffusion and pore water displacement laboratory experiments were carried out to compare extracted/calculated matrix pore fluids/waters with in-situ sampling. Of these the pore water diffusion experiments appear to be the most promising approach and a recommended site characterisation protocol has been formulated. The main conclusions from the Matrix Fluid Chemistry Experiment are: Groundwater movement within the bedrock hosting the experimental site has been enhanced by increased hydraulic gradients generated by the presence of the tunnel, and to a much lesser extent by the borehole itself. Over experimental timescales ∼4 years) solute transport through the rock matrix

  14. Matrix fluid chemistry experiment. Final report June 1998 - March 2003

    Energy Technology Data Exchange (ETDEWEB)

    Smellie, John A.T. [Conterra AB, Luleaa (Sweden); Waber, H. Niklaus [Univ. of Bern (Switzerland). Inst. of Geology; Frape, Shaun K. [Univ. of Waterloo (Canada). Dept. of Earth Sciences

    2003-06-01

    The Matrix Fluid Chemistry Experiment set out to determine the composition and evolution of matrix pore fluids/waters in low permeable rock located at repository depths in the Aespoe Hard Rock Laboratory (HRL). Matrix pore fluids/waters can be highly saline in composition and, if accessible, may influence the near-field groundwater chemistry of a repository system. Characterising pore fluids/waters involved in-situ borehole sampling and analysis integrated with laboratory studies and experiments on rock matrix drill core material. Relating the rate of in-situ pore water accumulation during sampling to the measured rock porosity indicated a hydraulic conductivity of 10{sup -14}-10{sup -13} m/s for the rock matrix. This was in accordance with earlier estimated predictions. The sampled matrix pore water, brackish in type, mostly represents older palaeo- groundwater mixtures preserved in the rock matrix and dating back to at least the last glaciation. A component of matrix pore 'fluid' is also present. One borehole section suggests a younger groundwater component which has accessed the rock matrix during the experiment. There is little evidence that the salinity of the matrix pore waters has been influenced significantly by fluid inclusion populations hosted by quartz. Crush/leach, cation exchange, pore water diffusion and pore water displacement laboratory experiments were carried out to compare extracted/calculated matrix pore fluids/waters with in-situ sampling. Of these the pore water diffusion experiments appear to be the most promising approach and a recommended site characterisation protocol has been formulated. The main conclusions from the Matrix Fluid Chemistry Experiment are: Groundwater movement within the bedrock hosting the experimental site has been enhanced by increased hydraulic gradients generated by the presence of the tunnel, and to a much lesser extent by the borehole itself. Over experimental timescales {approx}4 years) solute transport

  15. Nuclear structure calculations for astrophysical applications

    International Nuclear Information System (INIS)

    Moeller, P.; Kratz, K.L.

    1992-01-01

    Here we present calculated results on such diverse properties as nuclear energy levels, ground-state masses and shapes, β-decay properties and fission-barrier heights. Our approach to these calculations is to use a unified theoretical framework within which the above properties can all be studied. The results are obtained in the macroscopic-microscopic approach in which a microscopic nuclear-structure single-particle model with extensions is combined with a macroscopic model, such as the liquid drop model. In this model the total potential energy of the nucleus may be calculated as a function of shape. The maxima and minima in this function correspond to such features as the ground state, fission saddle points and shape-isomeric states. Various transition rate matrix elements are determined from wave-functions calculated in the single-particle model with pairing and other relevant residual interactions taken into account

  16. GENERALIZED MATRIXES OF GALOIS PROTOCOLS EXCHANGE ENCRYPTION KEYS

    Directory of Open Access Journals (Sweden)

    Anatoly Beletsky

    2016-03-01

    Full Text Available The methods of construction of matrix formation the secret protocols legalized subscribers of public communications networks encryption keys. Based key exchange protocols laid asymmetric cryptography algorithms. The solution involves the calculation of one-way functions and is based on the use of generalized Galois arrays of isomorphism relationship with forming elements, and depending on the selected irreducible polynomial generating matrix. A simple method for constructing generalized Galois matrix by the method of filling the diagonal. In order to eliminate the isomorphism of Galois arrays and their constituent elements, limiting the possibility of building one-way functions, Galois matrix subjected to similarity transformation carried out by means of permutation matrices. The variant of the organization of the algebraic attacks on encryption keys sharing protocols and discusses options for easing the consequences of an attack.

  17. An efficient parallel algorithm for matrix-vector multiplication

    Energy Technology Data Exchange (ETDEWEB)

    Hendrickson, B.; Leland, R.; Plimpton, S.

    1993-03-01

    The multiplication of a vector by a matrix is the kernel computation of many algorithms in scientific computation. A fast parallel algorithm for this calculation is therefore necessary if one is to make full use of the new generation of parallel supercomputers. This paper presents a high performance, parallel matrix-vector multiplication algorithm that is particularly well suited to hypercube multiprocessors. For an n x n matrix on p processors, the communication cost of this algorithm is O(n/[radical]p + log(p)), independent of the matrix sparsity pattern. The performance of the algorithm is demonstrated by employing it as the kernel in the well-known NAS conjugate gradient benchmark, where a run time of 6.09 seconds was observed. This is the best published performance on this benchmark achieved to date using a massively parallel supercomputer.

  18. Diffraction measurements of residual stress in titanium matrix composites

    International Nuclear Information System (INIS)

    James, M.R.; Bourke, M.A.; Goldstone, J.A.; Lawson, A.C.

    1993-01-01

    Metal matrix composites develop residual strains after consolidation due to the thermal expansion mismatch between the reinforcement fiber and the matrix. X-ray and neutron diffraction measured values for the longitudinal residual stress in the matrix of four titanium MMCs are reported. For thick composites (> 6 plies) the surface stress measured by x-ray diffraction matches that determined by neutron diffraction and therefore represents the stress in the bulk region consisting of the fibers and matrix. For thin sheet composites, the surface values are lower than in the interior and increase as the outer rows of fibers are approached. While a rationale for the behavior in the thin sheet has yet to be developed, accounting for composite thickness is important when using x-ray measured values to validate analytic and finite element calculations of the residual stress state

  19. Secured Economic Dispatch Algorithm using GSDF Matrix

    Directory of Open Access Journals (Sweden)

    Slimane SOUAG

    2014-02-01

    Full Text Available In this paper we present a new method for solving the secured power flow problem by the economic dispatch using DC power flow method and Generation Shift Distribution Factor (GSDF. A graphical interface in LabVIEW has been created as a virtual instrument. Hence the DC power flow reduces the power flow problem to a set of linear equations, which make the iterative calculation very fast and the GSFD matrix present the effects of single and multiple generator MW change on the transmission line. The effectiveness of the method developed is identified through its application to an IEEE-14 bus test system. The calculation results show excellent performance of the proposed method, in regard to computation time and quality of results.

  20. Perturbation analysis of nonlinear matrix population models

    Directory of Open Access Journals (Sweden)

    Hal Caswell

    2008-03-01

    Full Text Available Perturbation analysis examines the response of a model to changes in its parameters. It is commonly applied to population growth rates calculated from linear models, but there has been no general approach to the analysis of nonlinear models. Nonlinearities in demographic models may arise due to density-dependence, frequency-dependence (in 2-sex models, feedback through the environment or the economy, and recruitment subsidy due to immigration, or from the scaling inherent in calculations of proportional population structure. This paper uses matrix calculus to derive the sensitivity and elasticity of equilibria, cycles, ratios (e.g. dependency ratios, age averages and variances, temporal averages and variances, life expectancies, and population growth rates, for both age-classified and stage-classified models. Examples are presented, applying the results to both human and non-human populations.

  1. Fisher.py: Fisher Matrix Manipulation and Confidence Contour Plotting

    Science.gov (United States)

    Coe, Dan

    2010-10-01

    Fisher.py allows you to combine constraints from multiple experiments (e.g., weak lensing + supernovae) and add priors (e.g., a flat universe) simply and easily. Calculate parameter uncertainties and plot confidence ellipses. Fisher matrix expectations for several experiments are included as calculated by myself (time delays) and the Dark Energy Task Force (WL/SN/BAO/CL/CMB), or provide your own.

  2. Protein structure estimation from NMR data by matrix completion.

    Science.gov (United States)

    Li, Zhicheng; Li, Yang; Lei, Qiang; Zhao, Qing

    2017-09-01

    Knowledge of protein structures is very important to understand their corresponding physical and chemical properties. Nuclear Magnetic Resonance (NMR) spectroscopy is one of the main methods to measure protein structure. In this paper, we propose a two-stage approach to calculate the structure of a protein from a highly incomplete distance matrix, where most data are obtained from NMR. We first randomly "guess" a small part of unobservable distances by utilizing the triangle inequality, which is crucial for the second stage. Then we use matrix completion to calculate the protein structure from the obtained incomplete distance matrix. We apply the accelerated proximal gradient algorithm to solve the corresponding optimization problem. Furthermore, the recovery error of our method is analyzed, and its efficiency is demonstrated by several practical examples.

  3. Equivalence of Stress and Energy Calculations of Mean Stress

    DEFF Research Database (Denmark)

    Pedersen, Ole Bøcker; Brown, L. M.

    1977-01-01

    Calculations of the mean stress in a plastically deformed matrix containing randomly distributed elastic inclusions are considered. The mean stress for an elastically homogeneous material is calculated on the basis of an energy consideration which completely accounts for elastic interactions....... The result is shown to be identical to that obtained from a stress calculation. The possibility of including elastic interactions in the case of elastic inhomogeneity is discussed....

  4. Interacting hadron resonance gas model in the K -matrix formalism

    Science.gov (United States)

    Dash, Ashutosh; Samanta, Subhasis; Mohanty, Bedangadas

    2018-05-01

    An extension of hadron resonance gas (HRG) model is constructed to include interactions using relativistic virial expansion of partition function. The noninteracting part of the expansion contains all the stable baryons and mesons and the interacting part contains all the higher mass resonances which decay into two stable hadrons. The virial coefficients are related to the phase shifts which are calculated using K -matrix formalism in the present work. We have calculated various thermodynamics quantities like pressure, energy density, and entropy density of the system. A comparison of thermodynamic quantities with noninteracting HRG model, calculated using the same number of hadrons, shows that the results of the above formalism are larger. A good agreement between equation of state calculated in K -matrix formalism and lattice QCD simulations is observed. Specifically, the lattice QCD calculated interaction measure is well described in our formalism. We have also calculated second-order fluctuations and correlations of conserved charges in K -matrix formalism. We observe a good agreement of second-order fluctuations and baryon-strangeness correlation with lattice data below the crossover temperature.

  5. Economic evaluation and Applications of the Policy Analysis Matrix ...

    African Journals Online (AJOL)

    By using benefit to costs index, internal rate of return, net present value and policy analysis matrix were calculated. The results show that intercropping was affordable than sole cropping. Sole cropping of these crops had no relative advantage, while mixed cropping had a relative advantage than sole cropping. Nominal ...

  6. Effects of quenching and partial quenching on penguin matrix elements

    NARCIS (Netherlands)

    Golterman, Maarten; Pallante, Elisabetta

    2001-01-01

    In the calculation of non-leptonic weak decay rates, a "mismatch" arises when the QCD evolution of the relevant weak hamiltonian down to hadronic scales is performed in unquenched QCD, but the hadronic matrix elements are then computed in (partially) quenched lattice QCD. This mismatch arises

  7. Structure of nuclear transition matrix elements for neutrinoless ...

    Indian Academy of Sciences (India)

    Abstract. The structure of nuclear transition matrix elements (NTMEs) required for the study of neutrinoless double- decay within light Majorana neutrino mass mechanism is disassembled in the PHFB model. The NTMEs are calculated using a set of HFB intrinsic wave functions, the reliability of which has been previously ...

  8. Structure of nuclear transition matrix elements for neutrinoless ...

    Indian Academy of Sciences (India)

    Abstract. The structure of nuclear transition matrix elements (NTMEs) required for the study of neutrinoless double-β decay within light Majorana neutrino mass mechanism is disassembled in the PHFB model. The NTMEs are calculated using a set of HFB intrinsic wave functions, the reliability of which has been previously ...

  9. Containment Code Validation Matrix

    International Nuclear Information System (INIS)

    Chin, Yu-Shan; Mathew, P.M.; Glowa, Glenn; Dickson, Ray; Liang, Zhe; Leitch, Brian; Barber, Duncan; Vasic, Aleks; Bentaib, Ahmed; Journeau, Christophe; Malet, Jeanne; Studer, Etienne; Meynet, Nicolas; Piluso, Pascal; Gelain, Thomas; Michielsen, Nathalie; Peillon, Samuel; Porcheron, Emmanuel; Albiol, Thierry; Clement, Bernard; Sonnenkalb, Martin; Klein-Hessling, Walter; Arndt, Siegfried; Weber, Gunter; Yanez, Jorge; Kotchourko, Alexei; Kuznetsov, Mike; Sangiorgi, Marco; Fontanet, Joan; Herranz, Luis; Garcia De La Rua, Carmen; Santiago, Aleza Enciso; Andreani, Michele; Paladino, Domenico; Dreier, Joerg; Lee, Richard; Amri, Abdallah

    2014-01-01

    The Committee on the Safety of Nuclear Installations (CSNI) formed the CCVM (Containment Code Validation Matrix) task group in 2002. The objective of this group was to define a basic set of available experiments for code validation, covering the range of containment (ex-vessel) phenomena expected in the course of light and heavy water reactor design basis accidents and beyond design basis accidents/severe accidents. It was to consider phenomena relevant to pressurised heavy water reactor (PHWR), pressurised water reactor (PWR) and boiling water reactor (BWR) designs of Western origin as well as of Eastern European VVER types. This work would complement the two existing CSNI validation matrices for thermal hydraulic code validation (NEA/CSNI/R(1993)14) and In-vessel core degradation (NEA/CSNI/R(2001)21). The report initially provides a brief overview of the main features of a PWR, BWR, CANDU and VVER reactors. It also provides an overview of the ex-vessel corium retention (core catcher). It then provides a general overview of the accident progression for light water and heavy water reactors. The main focus is to capture most of the phenomena and safety systems employed in these reactor types and to highlight the differences. This CCVM contains a description of 127 phenomena, broken down into 6 categories: - Containment Thermal-hydraulics Phenomena; - Hydrogen Behaviour (Combustion, Mitigation and Generation) Phenomena; - Aerosol and Fission Product Behaviour Phenomena; - Iodine Chemistry Phenomena; - Core Melt Distribution and Behaviour in Containment Phenomena; - Systems Phenomena. A synopsis is provided for each phenomenon, including a description, references for further information, significance for DBA and SA/BDBA and a list of experiments that may be used for code validation. The report identified 213 experiments, broken down into the same six categories (as done for the phenomena). An experiment synopsis is provided for each test. Along with a test description

  10. The matrix of inspiration

    Science.gov (United States)

    Oehlmann, Dietmar; Ohlmann, Odile M.; Danzebrink, Hans U.

    2005-04-01

    perform this exchange, as a matrix, understood as source, of new ideas.

  11. Core calculations of JMTR

    Energy Technology Data Exchange (ETDEWEB)

    Nagao, Yoshiharu [Japan Atomic Energy Research Inst., Oarai, Ibaraki (Japan). Oarai Research Establishment

    1998-03-01

    In material testing reactors like the JMTR (Japan Material Testing Reactor) of 50 MW in Japan Atomic Energy Research Institute, the neutron flux and neutron energy spectra of irradiated samples show complex distributions. It is necessary to assess the neutron flux and neutron energy spectra of an irradiation field by carrying out the nuclear calculation of the core for every operation cycle. In order to advance core calculation, in the JMTR, the application of MCNP to the assessment of core reactivity and neutron flux and spectra has been investigated. In this study, in order to reduce the time for calculation and variance, the comparison of the results of the calculations by the use of K code and fixed source and the use of Weight Window were investigated. As to the calculation method, the modeling of the total JMTR core, the conditions for calculation and the adopted variance reduction technique are explained. The results of calculation are shown. Significant difference was not observed in the results of neutron flux calculations according to the difference of the modeling of fuel region in the calculations by K code and fixed source. The method of assessing the results of neutron flux calculation is described. (K.I.)

  12. Direct determination of scattering time delays using the R-matrix propagation method

    International Nuclear Information System (INIS)

    Walker, R.B.; Hayes, E.F.

    1989-01-01

    A direct method for determining time delays for scattering processes is developed using the R-matrix propagation method. The procedure involves the simultaneous generation of the global R matrix and its energy derivative. The necessary expressions to obtain the energy derivative of the S matrix are relatively simple and involve many of the same matrix elements required for the R-matrix propagation method. This method is applied to a simple model for a chemical reaction that displays sharp resonance features. The test results of the direct method are shown to be in excellent agreement with the traditional numerical differentiation method for scattering energies near the resonance energy. However, for sharp resonances the numerical differentiation method requires calculation of the S-matrix elements at many closely spaced energies. Since the direct method presented here involves calculations at only a single energy, one is able to generate accurate energy derivatives and time delays much more efficiently and reliably

  13. Measuring methods of matrix diffusion

    International Nuclear Information System (INIS)

    Muurinen, A.; Valkiainen, M.

    1988-03-01

    In Finland the spent nuclear fuel is planned to be disposed of at large depths in crystalline bedrock. The radionuclides which are dissolved in the groundwater may be able to diffuse into the micropores of the porous rock matrix and thus be withdrawn from the flowing water in the fractures. This phenomenon is called matrix diffusion. A review over matrix diffusion is presented in the study. The main interest is directed to the diffusion of non-sorbing species. The review covers diffusion experiments and measurements of porosity, pore size, specific surface area and water permeability

  14. Maximal quantum Fisher information matrix

    International Nuclear Information System (INIS)

    Chen, Yu; Yuan, Haidong

    2017-01-01

    We study the existence of the maximal quantum Fisher information matrix in the multi-parameter quantum estimation, which bounds the ultimate precision limit. We show that when the maximal quantum Fisher information matrix exists, it can be directly obtained from the underlying dynamics. Examples are then provided to demonstrate the usefulness of the maximal quantum Fisher information matrix by deriving various trade-off relations in multi-parameter quantum estimation and obtaining the bounds for the scalings of the precision limit. (paper)

  15. Stress and Damage in Polymer Matrix Composite Materials Due to Material Degradation at High Temperatures

    Science.gov (United States)

    McManus, Hugh L.; Chamis, Christos C.

    1996-01-01

    This report describes analytical methods for calculating stresses and damage caused by degradation of the matrix constituent in polymer matrix composite materials. Laminate geometry, material properties, and matrix degradation states are specified as functions of position and time. Matrix shrinkage and property changes are modeled as functions of the degradation states. The model is incorporated into an existing composite mechanics computer code. Stresses, strains, and deformations at the laminate, ply, and micro levels are calculated, and from these calculations it is determined if there is failure of any kind. The rationale for the model (based on published experimental work) is presented, its integration into the laminate analysis code is outlined, and example results are given, with comparisons to existing material and structural data. The mechanisms behind the changes in properties and in surface cracking during long-term aging of polyimide matrix composites are clarified. High-temperature-material test methods are also evaluated.

  16. Hypergraph partitioning implementation for parallelizing matrix-vector multiplication using CUDA GPU-based parallel computing

    Science.gov (United States)

    Murni, Bustamam, A.; Ernastuti, Handhika, T.; Kerami, D.

    2017-07-01

    Calculation of the matrix-vector multiplication in the real-world problems often involves large matrix with arbitrary size. Therefore, parallelization is needed to speed up the calculation process that usually takes a long time. Graph partitioning techniques that have been discussed in the previous studies cannot be used to complete the parallelized calculation of matrix-vector multiplication with arbitrary size. This is due to the assumption of graph partitioning techniques that can only solve the square and symmetric matrix. Hypergraph partitioning techniques will overcome the shortcomings of the graph partitioning technique. This paper addresses the efficient parallelization of matrix-vector multiplication through hypergraph partitioning techniques using CUDA GPU-based parallel computing. CUDA (compute unified device architecture) is a parallel computing platform and programming model that was created by NVIDIA and implemented by the GPU (graphics processing unit).

  17. Electronics Environmental Benefits Calculator

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Electronics Environmental Benefits Calculator (EEBC) was developed to assist organizations in estimating the environmental benefits of greening their purchase,...

  18. Electrical installation calculations basic

    CERN Document Server

    Kitcher, Christopher

    2013-01-01

    All the essential calculations required for basic electrical installation workThe Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike. The book provides a step-by-step guide to the successful application of electrical installation calculations required in day-to-day electrical engineering practice. A step-by-step guide to everyday calculations used on the job An essential aid to the City & Guilds certificates at Levels 2 and 3Fo

  19. Electrical installation calculations advanced

    CERN Document Server

    Kitcher, Christopher

    2013-01-01

    All the essential calculations required for advanced electrical installation workThe Electrical Installation Calculations series has proved an invaluable reference for over forty years, for both apprentices and professional electrical installation engineers alike. The book provides a step-by-step guide to the successful application of electrical installation calculations required in day-to-day electrical engineering practiceA step-by-step guide to everyday calculations used on the job An essential aid to the City & Guilds certificates at Levels 2 and 3For apprentices and electrical installatio

  20. Radar Signature Calculation Facility

    Data.gov (United States)

    Federal Laboratory Consortium — FUNCTION: The calculation, analysis, and visualization of the spatially extended radar signatures of complex objects such as ships in a sea multipath environment and...

  1. Waste Package Lifting Calculation

    International Nuclear Information System (INIS)

    H. Marr

    2000-01-01

    The objective of this calculation is to evaluate the structural response of the waste package during the horizontal and vertical lifting operations in order to support the waste package lifting feature design. The scope of this calculation includes the evaluation of the 21 PWR UCF (pressurized water reactor uncanistered fuel) waste package, naval waste package, 5 DHLW/DOE SNF (defense high-level waste/Department of Energy spent nuclear fuel)--short waste package, and 44 BWR (boiling water reactor) UCF waste package. Procedure AP-3.12Q, Revision 0, ICN 0, calculations, is used to develop and document this calculation

  2. Microscopic nuclear structure calculations with modern meson-exchange potentials

    International Nuclear Information System (INIS)

    Hjort-Jensen, M.; Osnes, E.; Muether, H.; Schmid, K.W.; Kuo, T.T.S.

    1990-07-01

    The report presents the results of microscopic nuclear shell-model calculations using three different nucleon-nucleon potentials. These are the phenomenological Reid-Soft-Core potential and the meson-exchange potentials of the Paris and the Bonn groups. It is found that the Bonn potential yields sd-shell matrix elements which are more attractive than those obtained with the Reid or the Paris potentials. The harmonic-oscillator matrix elements of the Bonn potential are also in better agreement with the empirically derived matrix elements of Wildenthal. The implications are discussed. 27 refs., 4 figs., 1 tab

  3. A statistical calculation of the β- strength function

    International Nuclear Information System (INIS)

    Arvieu, R.; Haq, R.U.; Touchard, J.

    1976-01-01

    A microscopic calculation of the Gamow-Teller strength between the 0 + ground state of 208 Pb and the 1 + particle-hole states of 208 Bi assuming the particle-hole matrix elements as random numbers with some specified distribution, is described. Under certain conditions for the two-body matrix elements, a G.T. resonance occurs. The stability of this collective state along with the accompanying low energy β - -strength tail is studied for various samples of p-h matrix elements [fr

  4. Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms

    Science.gov (United States)

    Chan, Garnet Kin-Lic; Keselman, Anna; Nakatani, Naoki; Li, Zhendong; White, Steven R.

    2016-07-01

    Current descriptions of the ab initio density matrix renormalization group (DMRG) algorithm use two superficially different languages: an older language of the renormalization group and renormalized operators, and a more recent language of matrix product states and matrix product operators. The same algorithm can appear dramatically different when written in the two different vocabularies. In this work, we carefully describe the translation between the two languages in several contexts. First, we describe how to efficiently implement the ab initio DMRG sweep using a matrix product operator based code, and the equivalence to the original renormalized operator implementation. Next we describe how to implement the general matrix product operator/matrix product state algebra within a pure renormalized operator-based DMRG code. Finally, we discuss two improvements of the ab initio DMRG sweep algorithm motivated by matrix product operator language: Hamiltonian compression, and a sum over operators representation that allows for perfect computational parallelism. The connections and correspondences described here serve to link the future developments with the past and are important in the efficient implementation of continuing advances in ab initio DMRG and related algorithms.

  5. Fibre-matrix bond strength studies of glass, ceramic, and metal matrix composites

    Science.gov (United States)

    Grande, D. H.; Mandell, J. F.; Hong, K. C. C.

    1988-01-01

    An indentation test technique for compressively loading the ends of individual fibers to produce debonding has been applied to metal, glass, and glass-ceramic matrix composites; bond strength values at debond initiation are calculated using a finite-element model. Results are correlated with composite longitudinal and interlaminar shear behavior for carbon and Nicalon fiber-reinforced glasses and glass-ceramics including the effects of matrix modifications, processing conditions, and high-temperature oxidation embrittlement. The data indicate that significant bonding to improve off-axis and shear properties can be tolerated before the longitudinal behavior becomes brittle. Residual stress and other mechanical bonding effects are important, but improved analyses and multiaxial interfacial failure criteria are needed to adequately interpret bond strength data in terms of composite performance.

  6. GoM Diet Matrix

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — This data set was taken from CRD 08-18 at the NEFSC. Specifically, the Gulf of Maine diet matrix was developed for the EMAX exercise described in that center...

  7. On matrix fractional differential equations

    Directory of Open Access Journals (Sweden)

    Adem Kılıçman

    2017-01-01

    Full Text Available The aim of this article is to study the matrix fractional differential equations and to find the exact solution for system of matrix fractional differential equations in terms of Riemann–Liouville using Laplace transform method and convolution product to the Riemann–Liouville fractional of matrices. Also, we show the theorem of non-homogeneous matrix fractional partial differential equation with some illustrative examples to demonstrate the effectiveness of the new methodology. The main objective of this article is to discuss the Laplace transform method based on operational matrices of fractional derivatives for solving several kinds of linear fractional differential equations. Moreover, we present the operational matrices of fractional derivatives with Laplace transform in many applications of various engineering systems as control system. We present the analytical technique for solving fractional-order, multi-term fractional differential equation. In other words, we propose an efficient algorithm for solving fractional matrix equation.

  8. Electromagnetic matrix elements in baryons

    International Nuclear Information System (INIS)

    Lipkin, H.J.; Moinester, M.A.

    1992-01-01

    Some simple symmetry relations between matrix elements of electromagnetic operators are investigated. The implications are discussed for experiments to study hyperon radiative transitions and polarizabilities and form factors. (orig.)

  9. Random matrix improved subspace clustering

    KAUST Repository

    Couillet, Romain; Kammoun, Abla

    2017-01-01

    This article introduces a spectral method for statistical subspace clustering. The method is built upon standard kernel spectral clustering techniques, however carefully tuned by theoretical understanding arising from random matrix findings. We show

  10. Matrix Effects in XRF Measurements

    International Nuclear Information System (INIS)

    Kandil, A.T.; Gabr, N.A.; El-Aryan, S.M.

    2015-01-01

    This research treats the matrix effect on XRF measurements. The problem is treated by preparing general oxide program, which contains many samples that represent all materials in cement factories, then by using T rail Lachance m ethod to correct errors of matrix effect. This work compares the effect of using lithium tetraborate or sodium tetraborate as a fluxing agent in terms of accuracy and economic cost

  11. Staggered chiral random matrix theory

    International Nuclear Information System (INIS)

    Osborn, James C.

    2011-01-01

    We present a random matrix theory for the staggered lattice QCD Dirac operator. The staggered random matrix theory is equivalent to the zero-momentum limit of the staggered chiral Lagrangian and includes all taste breaking terms at their leading order. This is an extension of previous work which only included some of the taste breaking terms. We will also present some results for the taste breaking contributions to the partition function and the Dirac eigenvalues.

  12. On the exact S-matrix from CP sup(n-1) and SU(n) chiral Thirring model

    International Nuclear Information System (INIS)

    Abdalla, E.; Abdalla, M.C.B.

    1980-03-01

    The S-matrix of CP sub(n-1) and SU(n) Thirring model is calculated, perturbatively, up to 2 loops. The calculation shows striking similarities, but the S -matrix has some deviations from the expected exact one. (Author) [pt

  13. PWR core design calculations

    International Nuclear Information System (INIS)

    Trkov, A.; Ravnik, M.; Zeleznik, N.

    1992-01-01

    Functional description of the programme package Cord-2 for PWR core design calculations is presented. Programme package is briefly described. Use of the package and calculational procedures for typical core design problems are treated. Comparison of main results with experimental values is presented as part of the verification process. (author) [sl

  14. Uneconomical top calculation method

    International Nuclear Information System (INIS)

    De Noord, M.; Vanm Sambeek, E.J.W.

    2003-08-01

    The methodology used to calculate the financial gap of renewable electricity sources and technologies is described. This methodology is used for calculating the production subsidy levels (MEP subsidies) for new renewable electricity projects in 2004 and 2005 in the Netherlands [nl

  15. Form factors in quantum integrable models with GL(3)-invariant R-matrix

    Energy Technology Data Exchange (ETDEWEB)

    Pakuliak, S., E-mail: pakuliak@theor.jinr.ru [Laboratory of Theoretical Physics, JINR, 141980 Dubna, Moscow Reg. (Russian Federation); Moscow Institute of Physics and Technology, 141700 Dolgoprudny, Moscow Reg. (Russian Federation); Institute of Theoretical and Experimental Physics, 117259 Moscow (Russian Federation); Ragoucy, E., E-mail: eric.ragoucy@lapth.cnrs.fr [Laboratoire de Physique Théorique LAPTH, CNRS and Université de Savoie, BP 110, 74941 Annecy-le-Vieux Cedex (France); Slavnov, N.A., E-mail: nslavnov@mi.ras.ru [Steklov Mathematical Institute, Moscow (Russian Federation)

    2014-04-15

    We study integrable models solvable by the nested algebraic Bethe ansatz and possessing GL(3)-invariant R-matrix. We obtain determinant representations for form factors of off-diagonal entries of the monodromy matrix. These representations can be used for the calculation of form factors and correlation functions of the XXX SU(3)-invariant Heisenberg chain.

  16. An algorithm to compute the square root of 3x3 positive definite matrix

    International Nuclear Information System (INIS)

    Franca, L.P.

    1988-06-01

    An efficient closed form to compute the square root of a 3 x 3 positive definite matrix is presented. The derivation employs the Cayley-Hamilton theorem avoiding calculation of eigenvectors. We show that evaluation of one eigenvalue of the square root matrix is needed and can not be circumvented. The algorithm is robust and efficient. (author) [pt

  17. Bag-model matrix elements of the parity-violating weak hamiltonian for charmed baryons

    International Nuclear Information System (INIS)

    Ebert, D.; Kallies, W.

    1983-01-01

    Baryon matrix elements of the parity-violating part of the charmchanging weak Hamiltonian might be significant and comparable with those of the parity-conserving one due to large symmetry breaking. Expression for these new matrix elements by using the MIT-bag model are derived and their implications on earlier calculations of nonleptonic charmed-baryon decays are estimated

  18. Charge state of finely divided conducting systems in dielectric matrix

    International Nuclear Information System (INIS)

    Medvedev, Yu.V.; Grishin, A.M.

    2001-01-01

    The calculation of the high statistic sum Z of the charged metal granules in the dielectric matrix is carried out with an account of the excess number of the Fermi-particles fluctuations on the granules. Application of a microscopic Hamiltonian for the energy of electrostatic interaction between the charge densities in the system makes it possible to accomplish these calculations in the average field approximation. The effect of the number of the Fermi-particles fluctuations on the charge state of the finely divided granules in the dielectric matrix is studied. It is supposed that the charge exchange between the composite metal elements occurs on the account of the electron overbarrier heat transfer. It is followed from the system high statistic sum calculation results that the i-granule medium charge is connected by the nonlinear ratio with the conductors V i potentials [ru

  19. S-matrix approach to the equation of state of dilute nuclear matter

    Indian Academy of Sciences (India)

    2014-04-01

    matrix framework, a method is presented to calculate the equation of state of dilute warm nuclear matter. The result is a model-independent virial series for the pressure and density that systematically includes contributions from ...

  20. Dose calculation for electrons

    International Nuclear Information System (INIS)

    Hirayama, Hideo

    1995-01-01

    The joint working group of ICRP/ICRU is advancing the works of reviewing the ICRP publication 51 by investigating the data related to radiation protection. In order to introduce the 1990 recommendation, it has been demanded to carry out calculation for neutrons, photons and electrons. As for electrons, EURADOS WG4 (Numerical Dosimetry) rearranged the data to be calculated at the meeting held in PTB Braunschweig in June, 1992, and the question and request were presented by Dr. J.L. Chartier, the responsible person, to the researchers who are likely to undertake electron transport Monte Carlo calculation. The author also has carried out the requested calculation as it was the good chance to do the mutual comparison among various computation codes regarding electron transport calculation. The content that the WG requested to calculate was the absorbed dose at depth d mm when parallel electron beam enters at angle α into flat plate phantoms of PMMA, water and ICRU4-element tissue, which were placed in vacuum. The calculation was carried out by the versatile electron-photon shower computation Monte Carlo code, EGS4. As the results, depth dose curves and the dependence of absorbed dose on electron energy, incident angle and material are reported. The subjects to be investigated are pointed out. (K.I.)

  1. The effects of flavour symmetry breaking on hadron matrix elements

    International Nuclear Information System (INIS)

    Cooke, A.N.; Horsley, R.; Pleiter, D.; Zanotti, J.M.

    2012-12-01

    By considering a flavour expansion about the SU(3)-flavour symmetric point, we investigate how flavour-blindness constrains octet baryon matrix elements after SU(3) is broken by the mass difference between the strange and light quarks. We find the expansions to be highly constrained along a mass trajectory where the singlet quark mass is held constant, which proves beneficial for extrapolations of 2+1 flavour lattice data to the physical point. We investigate these effects numerically via a lattice calculation of the flavour-conserving and flavour-changing matrix elements of the vector and axial operators between octet baryon states.

  2. The Matrix Element Method at Next-to-Leading Order

    OpenAIRE

    Campbell, John M.; Giele, Walter T.; Williams, Ciaran

    2012-01-01

    This paper presents an extension of the matrix element method to next-to-leading order in perturbation theory. To accomplish this we have developed a method to calculate next-to-leading order weights on an event-by-event basis. This allows for the definition of next-to-leading order likelihoods in exactly the same fashion as at leading order, thus extending the matrix element method to next-to-leading order. A welcome by-product of the method is the straightforward and efficient generation of...

  3. The effects of flavour symmetry breaking on hadron matrix elements

    Energy Technology Data Exchange (ETDEWEB)

    Cooke, A.N.; Horsley, R. [Edinburgh Univ. (United Kingdom). School of Physics and Astronomy; Nakamura, Y. [RIKEN Advanced Institute for Computational Science, Kobe (Japan); Pleiter, D. [Juelich Research Centre (Germany); Regensburg Univ. (Germany). Institut fuer Theoretische Physik; Rakow, P.E.L. [Liverpool Univ. (United Kingdom). Theoretical Physics Division; Schierholz, G. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Zanotti, J.M. [Adelaide Univ. (Australia). School of Chemistry and Physics

    2012-12-15

    By considering a flavour expansion about the SU(3)-flavour symmetric point, we investigate how flavour-blindness constrains octet baryon matrix elements after SU(3) is broken by the mass difference between the strange and light quarks. We find the expansions to be highly constrained along a mass trajectory where the singlet quark mass is held constant, which proves beneficial for extrapolations of 2+1 flavour lattice data to the physical point. We investigate these effects numerically via a lattice calculation of the flavour-conserving and flavour-changing matrix elements of the vector and axial operators between octet baryon states.

  4. Possilibity of estimating payoff matrix from model for hit phenomena

    International Nuclear Information System (INIS)

    Ishii, Akira; Sakaidani, Shota; Iwanaga, Saori

    2016-01-01

    The conflicts of topics on social media is considered using an extended mathematical model based on the mathematical model for hit phenomena that has been used to analyze entertainment hits. The social media platform used in this study was blog. The calculation results shows examples of strong conflict, weak conflict, and no conflict cases. Since the conflict of two topics can be considered in the framework of game theory, the results can be used to determine each matrix element of the payoff matrix of game theory.

  5. Plasmonic resonance of colloidal silver in nanoporous matrix

    International Nuclear Information System (INIS)

    Andreeva, O V; Saitov, S V; Andreeva, N V; Sidorov, A I

    2014-01-01

    The object of the study in this paper – silver nanoporous silicate matrix with pore size less than 20 nm. Colloidal silver particles with volume concentration about 10 −4 are formed within free volume of pores of silicate matrix by chemical method. Changes in the attenuation spectra of the investigated object during changing of the refractive index of free volume of pores from 1.0 to 1.5 are reviewed. Comparison of the obtained experimental data with the results of calculations was carried out

  6. Nucleon matrix elements using the variational method in lattice QCD

    International Nuclear Information System (INIS)

    Dragos, J.; Kamleh, W.; Leinweber, D.B.; Zanotti, J.M.; Rakow, P.E.L.; Young, R.D.; Adelaide Univ., SA

    2016-06-01

    The extraction of hadron matrix elements in lattice QCD using the standard two- and threepoint correlator functions demands careful attention to systematic uncertainties. One of the most commonly studied sources of systematic error is contamination from excited states. We apply the variational method to calculate the axial vector current g_A, the scalar current g_S and the quark momentum fraction left angle x right angle of the nucleon and we compare the results to the more commonly used summation and two-exponential fit methods. The results demonstrate that the variational approach offers a more efficient and robust method for the determination of nucleon matrix elements.

  7. Large scale GW calculations

    International Nuclear Information System (INIS)

    Govoni, Marco; Argonne National Lab., Argonne, IL; Galli, Giulia; Argonne National Lab., Argonne, IL

    2015-01-01

    We present GW calculations of molecules, ordered and disordered solids and interfaces, which employ an efficient contour deformation technique for frequency integration and do not require the explicit evaluation of virtual electronic states nor the inversion of dielectric matrices. We also present a parallel implementation of the algorithm, which takes advantage of separable expressions of both the single particle Green's function and the screened Coulomb interaction. The method can be used starting from density functional theory calculations performed with semilocal or hybrid functionals. The newly developed technique was applied to GW calculations of systems of unprecedented size, including water/semiconductor interfaces with thousands of electrons

  8. Radioactive cloud dose calculations

    International Nuclear Information System (INIS)

    Healy, J.W.

    1984-01-01

    Radiological dosage principles, as well as methods for calculating external and internal dose rates, following dispersion and deposition of radioactive materials in the atmosphere are described. Emphasis has been placed on analytical solutions that are appropriate for hand calculations. In addition, the methods for calculating dose rates from ingestion are discussed. A brief description of several computer programs are included for information on radionuclides. There has been no attempt to be comprehensive, and only a sampling of programs has been selected to illustrate the variety available

  9. Symplectic matrix, gauge invariance and Dirac brackets for super-QED

    Energy Technology Data Exchange (ETDEWEB)

    Alves, D.T. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Cheb-Terrab, E.S. [British Columbia Univ., Vancouver, BC (Canada). Dept. of Mathematics

    1999-08-01

    The calculation of Dirac brackets (DB) using a symplectic matrix approach but in a Hamiltonian framework is discussed, and the calculation of the DB for the supersymmetric extension of QED (super-QED) is shown. The relation between the zero-mode of the pre-symplectic matrix and the gauge transformations admitted by the model is verified. A general description to construct Lagrangians linear in the velocities is also presented. (author)

  10. A survey of matrix theory and matrix inequalities

    CERN Document Server

    Marcus, Marvin

    2010-01-01

    Written for advanced undergraduate students, this highly regarded book presents an enormous amount of information in a concise and accessible format. Beginning with the assumption that the reader has never seen a matrix before, the authors go on to provide a survey of a substantial part of the field, including many areas of modern research interest.Part One of the book covers not only the standard ideas of matrix theory, but ones, as the authors state, ""that reflect our own prejudices,"" among them Kronecker products, compound and induced matrices, quadratic relations, permanents, incidence

  11. Octonionic matrix representation and electromagnetism

    Energy Technology Data Exchange (ETDEWEB)

    Chanyal, B. C. [Kumaun University, S. S. J. Campus, Almora (India)

    2014-12-15

    Keeping in mind the important role of octonion algebra, we have obtained the electromagnetic field equations of dyons with an octonionic 8 x 8 matrix representation. In this paper, we consider the eight - dimensional octonionic space as a combination of two (external and internal) four-dimensional spaces for the existence of magnetic monopoles (dyons) in a higher-dimensional formalism. As such, we describe the octonion wave equations in terms of eight components from the 8 x 8 matrix representation. The octonion forms of the generalized potential, fields and current source of dyons in terms of 8 x 8 matrix are discussed in a consistent manner. Thus, we have obtained the generalized Dirac-Maxwell equations of dyons from an 8x8 matrix representation of the octonion wave equations in a compact and consistent manner. The generalized Dirac-Maxwell equations are fully symmetric Maxwell equations and allow for the possibility of magnetic charges and currents, analogous to electric charges and currents. Accordingly, we have obtained the octonionic Dirac wave equations in an external field from the matrix representation of the octonion-valued potentials of dyons.

  12. Handout on shielding calculation

    International Nuclear Information System (INIS)

    Heilbron Filho, P.F.L.

    1991-01-01

    In order to avoid the difficulties of the radioprotection supervisors in the tasks related to shielding calculations, is presented in this paper the basic concepts of shielding theory. It also includes exercises and examples. (author)

  13. Unit Cost Compendium Calculations

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Unit Cost Compendium (UCC) Calculations raw data set was designed to provide for greater accuracy and consistency in the use of unit costs across the USEPA...

  14. PHYSICOCHEMICAL PROPERTY CALCULATIONS

    Science.gov (United States)

    Computer models have been developed to estimate a wide range of physical-chemical properties from molecular structure. The SPARC modeling system approaches calculations as site specific reactions (pKa, hydrolysis, hydration) and `whole molecule' properties (vapor pressure, boilin...

  15. Magnetic Field Grid Calculator

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The Magnetic Field Properties Calculator will computes the estimated values of Earth's magnetic field(declination, inclination, vertical component, northerly...

  16. Intercavitary implants dosage calculation

    International Nuclear Information System (INIS)

    Rehder, B.P.

    The use of spacial geometry peculiar to each treatment for the attainment of intercavitary and intersticial implants dosage calculation is presented. The study is made in patients with intercavitary implants by applying a modified Manchester technique [pt

  17. Casio Graphical Calculator Project.

    Science.gov (United States)

    Stott, Nick

    2001-01-01

    Shares experiences of a project aimed at developing and refining programs written on a Casio FX9750G graphing calculator. Describes in detail some programs used to develop mental strategies and problem solving skills. (MM)

  18. Small portable speed calculator

    Science.gov (United States)

    Burch, J. L.; Billions, J. C.

    1973-01-01

    Calculator is adapted stopwatch calibrated for fast accurate measurement of speeds. Single assembled unit is rugged, self-contained, and relatively inexpensive to manufacture. Potential market includes automobile-speed enforcement, railroads, and field-test facilities.

  19. Calculativeness and trust

    DEFF Research Database (Denmark)

    Frederiksen, Morten

    2014-01-01

    Williamson’s characterisation of calculativeness as inimical to trust contradicts most sociological trust research. However, a similar argument is found within trust phenomenology. This paper re-investigates Williamson’s argument from the perspective of Løgstrup’s phenomenological theory of trust....... Contrary to Williamson, however, Løgstrup’s contention is that trust, not calculativeness, is the default attitude and only when suspicion is awoken does trust falter. The paper argues that while Williamson’s distinction between calculativeness and trust is supported by phenomenology, the analysis needs...... to take actual subjective experience into consideration. It points out that, first, Løgstrup places trust alongside calculativeness as a different mode of engaging in social interaction, rather conceiving of trust as a state or the outcome of a decision-making process. Secondly, the analysis must take...

  20. Activities for Calculators.

    Science.gov (United States)

    Hiatt, Arthur A.

    1987-01-01

    Ten activities that give learners in grades 5-8 a chance to explore mathematics with calculators are provided. The activity cards involve such topics as odd addends, magic squares, strange projects, and conjecturing rules. (MNS)

  1. IRIS core criticality calculations

    International Nuclear Information System (INIS)

    Jecmenica, R.; Trontl, K.; Pevec, D.; Grgic, D.

    2003-01-01

    Three-dimensional Monte Carlo computer code KENO-VI of CSAS26 sequence of SCALE-4.4 code system was applied for pin-by-pin calculations of the effective multiplication factor for the first cycle IRIS reactor core. The effective multiplication factors obtained by the above mentioned Monte Carlo calculations using 27-group ENDF/B-IV library and 238-group ENDF/B-V library have been compared with the effective multiplication factors achieved by HELIOS/NESTLE, CASMO/SIMULATE, and modified CORD-2 nodal calculations. The results of Monte Carlo calculations are found to be in good agreement with the results obtained by the nodal codes. The discrepancies in effective multiplication factor are typically within 1%. (author)

  2. Current interruption transients calculation

    CERN Document Server

    Peelo, David F

    2014-01-01

    Provides an original, detailed and practical description of current interruption transients, origins, and the circuits involved, and how they can be calculated Current Interruption Transients Calculationis a comprehensive resource for the understanding, calculation and analysis of the transient recovery voltages (TRVs) and related re-ignition or re-striking transients associated with fault current interruption and the switching of inductive and capacitive load currents in circuits. This book provides an original, detailed and practical description of current interruption transients, origins,

  3. Source and replica calculations

    International Nuclear Information System (INIS)

    Whalen, P.P.

    1994-01-01

    The starting point of the Hiroshima-Nagasaki Dose Reevaluation Program is the energy and directional distributions of the prompt neutron and gamma-ray radiation emitted from the exploding bombs. A brief introduction to the neutron source calculations is presented. The development of our current understanding of the source problem is outlined. It is recommended that adjoint calculations be used to modify source spectra to resolve the neutron discrepancy problem

  4. Shielding calculations using FLUKA

    International Nuclear Information System (INIS)

    Yamaguchi, Chiri; Tesch, K.; Dinter, H.

    1988-06-01

    The dose equivalent on the surface of concrete shielding has been calculated using the Monte Carlo code FLUKA86 for incident proton energies from 10 to 800 GeV. The results have been compared with some simple equations. The value of the angular dependent parameter in Moyer's equation has been calculated from the locations where the values of the maximum dose equivalent occur. (author)

  5. Analytical techniques for instrument design - matrix methods

    International Nuclear Information System (INIS)

    Robinson, R.A.

    1997-01-01

    We take the traditional Cooper-Nathans approach, as has been applied for many years for steady-state triple-axis spectrometers, and consider its generalisation to other inelastic scattering spectrometers. This involves a number of simple manipulations of exponentials of quadratic forms. In particular, we discuss a toolbox of matrix manipulations that can be performed on the 6- dimensional Cooper-Nathans matrix: diagonalisation (Moller-Nielsen method), coordinate changes e.g. from (Δk I ,Δk F to ΔE, ΔQ ampersand 2 dummy variables), integration of one or more variables (e.g. over such dummy variables), integration subject to linear constraints (e.g. Bragg's Law for analysers), inversion to give the variance-covariance matrix, and so on. We show how these tools can be combined to solve a number of important problems, within the narrow-band limit and the gaussian approximation. We will argue that a generalised program that can handle multiple different spectrometers could (and should) be written in parallel to the Monte-Carlo packages that are becoming available. We will also discuss the complementarity between detailed Monte-Carlo calculations and the approach presented here. In particular, Monte-Carlo methods traditionally simulate the real experiment as performed in practice, given a model scattering law, while the Cooper-Nathans method asks the inverse question: given that a neutron turns up in a particular spectrometer configuration (e.g. angle and time of flight), what is the probability distribution of possible scattering events at the sample? The Monte-Carlo approach could be applied in the same spirit to this question

  6. Numerical methods in matrix computations

    CERN Document Server

    Björck, Åke

    2015-01-01

    Matrix algorithms are at the core of scientific computing and are indispensable tools in most applications in engineering. This book offers a comprehensive and up-to-date treatment of modern methods in matrix computation. It uses a unified approach to direct and iterative methods for linear systems, least squares and eigenvalue problems. A thorough analysis of the stability, accuracy, and complexity of the treated methods is given. Numerical Methods in Matrix Computations is suitable for use in courses on scientific computing and applied technical areas at advanced undergraduate and graduate level. A large bibliography is provided, which includes both historical and review papers as well as recent research papers. This makes the book useful also as a reference and guide to further study and research work. Åke Björck is a professor emeritus at the Department of Mathematics, Linköping University. He is a Fellow of the Society of Industrial and Applied Mathematics.

  7. Lectures on matrix field theory

    CERN Document Server

    Ydri, Badis

    2017-01-01

    These lecture notes provide a systematic introduction to matrix models of quantum field theories with non-commutative and fuzzy geometries. The book initially focuses on the matrix formulation of non-commutative and fuzzy spaces, followed by a description of the non-perturbative treatment of the corresponding field theories. As an example, the phase structure of non-commutative phi-four theory is treated in great detail, with a separate chapter on the multitrace approach. The last chapter offers a general introduction to non-commutative gauge theories, while two appendices round out the text. Primarily written as a self-study guide for postgraduate students – with the aim of pedagogically introducing them to key analytical and numerical tools, as well as useful physical models in applications – these lecture notes will also benefit experienced researchers by providing a reference guide to the fundamentals of non-commutative field theory with an emphasis on matrix models and fuzzy geometries.

  8. Semiclassical S-matrix for black holes

    CERN Document Server

    Bezrukov, Fedor; Sibiryakov, Sergey

    2015-01-01

    We propose a semiclassical method to calculate S-matrix elements for two-stage gravitational transitions involving matter collapse into a black hole and evaporation of the latter. The method consistently incorporates back-reaction of the collapsing and emitted quanta on the metric. We illustrate the method in several toy models describing spherical self-gravitating shells in asymptotically flat and AdS space-times. We find that electrically neutral shells reflect via the above collapse-evaporation process with probability exp(-B), where B is the Bekenstein-Hawking entropy of the intermediate black hole. This is consistent with interpretation of exp(B) as the number of black hole states. The same expression for the probability is obtained in the case of charged shells if one takes into account instability of the Cauchy horizon of the intermediate Reissner-Nordstrom black hole. Our semiclassical method opens a new systematic approach to the gravitational S-matrix in the non-perturbative regime.

  9. Analytical techniques for instrument design - Matrix methods

    International Nuclear Information System (INIS)

    Robinson, R.A.

    1997-01-01

    The authors take the traditional Cooper-Nathans approach, as has been applied for many years for steady-state triple-axis spectrometers, and consider its generalization to other inelastic scattering spectrometers. This involves a number of simple manipulations of exponentials of quadratic forms. In particular, they discuss a toolbox of matrix manipulations that can be performed on the 6-dimensional Cooper-Nathans matrix. They show how these tools can be combined to solve a number of important problems, within the narrow-band limit and the gaussian approximation. They will argue that a generalized program that can handle multiple different spectrometers could (and should) be written in parallel to the Monte-Carlo packages that are becoming available. They also discuss the complementarity between detailed Monte-Carlo calculations and the approach presented here. In particular, Monte-Carlo methods traditionally simulate the real experiment as performed in practice, given a model scattering law, while the Cooper-Nathans method asks the inverse question: given that a neutron turns up in a particular spectrometer configuration (e.g. angle and time of flight), what is the probability distribution of possible scattering events at the sample? The Monte-Carlo approach could be applied in the same spirit to this question

  10. Polychoric/Tetrachoric Matrix or Pearson Matrix? A methodological study

    Directory of Open Access Journals (Sweden)

    Dominguez Lara, Sergio Alexis

    2014-04-01

    Full Text Available The use of product-moment correlation of Pearson is common in most studies in factor analysis in psychology, but it is known that this statistic is only applicable when the variables related are in interval scale and normally distributed, and when are used in ordinal data may to produce a distorted correlation matrix . Thus is a suitable option using polychoric/tetrachoric matrices in item-level factor analysis when the items are in level measurement nominal or ordinal. The aim of this study was to show the differences in the KMO, Bartlett`s Test and Determinant of the Matrix, percentage of variance explained and factor loadings in depression trait scale of Depression Inventory Trait - State and the Neuroticism dimension of the short form of the Eysenck Personality Questionnaire -Revised, regarding the use of matrices polychoric/tetrachoric matrices and Pearson. These instruments was analyzed with different extraction methods (Maximum Likelihood, Minimum Rank Factor Analysis, Unweighted Least Squares and Principal Components, keeping constant the rotation method Promin were analyzed. Were observed differences regarding sample adequacy measures, as well as with respect to the explained variance and the factor loadings, for solutions having as polychoric/tetrachoric matrix. So it can be concluded that the polychoric / tetrachoric matrix give better results than Pearson matrices when it comes to item-level factor analysis using different methods.

  11. Towards Google matrix of brain

    Energy Technology Data Exchange (ETDEWEB)

    Shepelyansky, D.L., E-mail: dima@irsamc.ups-tlse.f [Laboratoire de Physique Theorique (IRSAMC), Universite de Toulouse, UPS, F-31062 Toulouse (France); LPT - IRSAMC, CNRS, F-31062 Toulouse (France); Zhirov, O.V. [Budker Institute of Nuclear Physics, 630090 Novosibirsk (Russian Federation)

    2010-07-12

    We apply the approach of the Google matrix, used in computer science and World Wide Web, to description of properties of neuronal networks. The Google matrix G is constructed on the basis of neuronal network of a brain model discussed in PNAS 105 (2008) 3593. We show that the spectrum of eigenvalues of G has a gapless structure with long living relaxation modes. The PageRank of the network becomes delocalized for certain values of the Google damping factor {alpha}. The properties of other eigenstates are also analyzed. We discuss further parallels and similarities between the World Wide Web and neuronal networks.

  12. Towards Google matrix of brain

    International Nuclear Information System (INIS)

    Shepelyansky, D.L.; Zhirov, O.V.

    2010-01-01

    We apply the approach of the Google matrix, used in computer science and World Wide Web, to description of properties of neuronal networks. The Google matrix G is constructed on the basis of neuronal network of a brain model discussed in PNAS 105 (2008) 3593. We show that the spectrum of eigenvalues of G has a gapless structure with long living relaxation modes. The PageRank of the network becomes delocalized for certain values of the Google damping factor α. The properties of other eigenstates are also analyzed. We discuss further parallels and similarities between the World Wide Web and neuronal networks.

  13. Inverse Interval Matrix: A Survey

    Czech Academy of Sciences Publication Activity Database

    Rohn, Jiří; Farhadsefat, R.

    2011-01-01

    Roč. 22, - (2011), s. 704-719 E-ISSN 1081-3810 R&D Projects: GA ČR GA201/09/1957; GA ČR GC201/08/J020 Institutional research plan: CEZ:AV0Z10300504 Keywords : interval matrix * inverse interval matrix * NP-hardness * enclosure * unit midpoint * inverse sign stability * nonnegative invertibility * absolute value equation * algorithm Subject RIV: BA - General Mathematics Impact factor: 0.808, year: 2010 http://www.math.technion.ac.il/iic/ ela / ela -articles/articles/vol22_pp704-719.pdf

  14. Symmetries and Interactions in Matrix String Theory

    NARCIS (Netherlands)

    Hacquebord, F.H.

    1999-01-01

    This PhD-thesis reviews matrix string theory and recent developments therein. The emphasis is put on symmetries, interactions and scattering processes in the matrix model. We start with an introduction to matrix string theory and a review of the orbifold model that flows out of matrix string theory

  15. Dielectric Cure Monitoring of Thermosetting Matrix Composites

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hyoung Geun [Agency for Defense Development, Daejeon (Korea, Republic of); Lee, Dae Gil [KAIST, Daejeon (Korea, Republic of)

    2003-10-15

    Cure monitoring can be used to improve the quality and productivity of thermosetting resin matrix composite products during their manufacturing process. In this work, the sensitivity of dielectrometry was improved by adequate separation the efforts of sensor and externals on the measured signal. A new algorithm to obtain the degree of cure during dielectric cure monitoring of glass/polyester and glass/epoxy composites was developed by employing a function of both temperature and dissipation factor, in which five cure monitoring parameters were used to calculate the degree of cure. The decreasing pattern of dissipation factor was compared with the relationships between the degree of cure and the resin viscosity. The developed algorithm might be employed for the in situ cure monitoring of thermosetting resin composites

  16. Dielectric Cure Monitoring of Thermosetting Matrix Composites

    International Nuclear Information System (INIS)

    Kim, Hyoung Geun; Lee, Dae Gil

    2003-01-01

    Cure monitoring can be used to improve the quality and productivity of thermosetting resin matrix composite products during their manufacturing process. In this work, the sensitivity of dielectrometry was improved by adequate separation the efforts of sensor and externals on the measured signal. A new algorithm to obtain the degree of cure during dielectric cure monitoring of glass/polyester and glass/epoxy composites was developed by employing a function of both temperature and dissipation factor, in which five cure monitoring parameters were used to calculate the degree of cure. The decreasing pattern of dissipation factor was compared with the relationships between the degree of cure and the resin viscosity. The developed algorithm might be employed for the in situ cure monitoring of thermosetting resin composites

  17. A random matrix approach to VARMA processes

    International Nuclear Information System (INIS)

    Burda, Zdzislaw; Jarosz, Andrzej; Nowak, Maciej A; Snarska, Malgorzata

    2010-01-01

    We apply random matrix theory to derive the spectral density of large sample covariance matrices generated by multivariate VMA(q), VAR(q) and VARMA(q 1 , q 2 ) processes. In particular, we consider a limit where the number of random variables N and the number of consecutive time measurements T are large but the ratio N/T is fixed. In this regime, the underlying random matrices are asymptotically equivalent to free random variables (FRV). We apply the FRV calculus to calculate the eigenvalue density of the sample covariance for several VARMA-type processes. We explicitly solve the VARMA(1, 1) case and demonstrate perfect agreement between the analytical result and the spectra obtained by Monte Carlo simulations. The proposed method is purely algebraic and can be easily generalized to q 1 >1 and q 2 >1.

  18. Uncertainty calculations made easier

    International Nuclear Information System (INIS)

    Hogenbirk, A.

    1994-07-01

    The results are presented of a neutron cross section sensitivity/uncertainty analysis performed in a complicated 2D model of the NET shielding blanket design inside the ITER torus design, surrounded by the cryostat/biological shield as planned for ITER. The calculations were performed with a code system developed at ECN Petten, with which sensitivity/uncertainty calculations become relatively simple. In order to check the deterministic neutron transport calculations (performed with DORT), calculations were also performed with the Monte Carlo code MCNP. Care was taken to model the 2.0 cm wide gaps between two blanket segments, as the neutron flux behind the vacuum vessel is largely determined by neutrons streaming through these gaps. The resulting neutron flux spectra are in excellent agreement up to the end of the cryostat. It is noted, that at this position the attenuation of the neutron flux is about 1 l orders of magnitude. The uncertainty in the energy integrated flux at the beginning of the vacuum vessel and at the beginning of the cryostat was determined in the calculations. The uncertainty appears to be strongly dependent on the exact geometry: if the gaps are filled with stainless steel, the neutron spectrum changes strongly, which results in an uncertainty of 70% in the energy integrated flux at the beginning of the cryostat in the no-gap-geometry, compared to an uncertainty of only 5% in the gap-geometry. Therefore, it is essential to take into account the exact geometry in sensitivity/uncertainty calculations. Furthermore, this study shows that an improvement of the covariance data is urgently needed in order to obtain reliable estimates of the uncertainties in response parameters in neutron transport calculations. (orig./GL)

  19. NMR structural refinement of an extrahelical adenosine tridecamer d(CGCAGAATTCGCG)2 via a hybrid relaxation matrix procedure

    International Nuclear Information System (INIS)

    Nikonowicz, E.P.; Meadows, R.P.; Gorenstein, D.G.

    1990-01-01

    Until very recently interproton distances from NOESY experiments have been derived solely from the two-spin approximation method. Unfortunately, even at short mixing times, there is a significant error in many of these distances. A complete relaxation matrix approach employing a matrix eigenvalue/eigenvector solution to the Bloch equations avoids the approximation of the two-spin method. The authors calculated the structure of an extrahelical adenosine tridecamer oligodeoxyribonucleotide duplex, d-(CGCAGAATTCGCG) 2 , by an iterative refinement approach using a hybrid relaxation matrix method combined with restrained molecular dynamics calculations. Distances from the 2D NOESY spectra have been calculated from the relaxation rate matrix which has been evaluated from a hybrid NOESY volume matrix comprising elements from the experiment and those calculated from an initial structure. The hybrid matrix derived distances have then been used in a restrained molecular dynamics procedure to obtain a new structure that better approximates the NOESY spectra. The resulting partially refined structure is then used to calculate an improved theoretical NOESY volume matrix which is once again merged with the experimental matrix until refinement is complete. Although the crystal structure of the tridecamer clearly shows the extrahelical adenosine looped out way from the duplex, the NOESY distance restrained hybrid matrix/molecular dynamics structural refinement establishes that the extrahelical adenosine stacks into the duplex

  20. Optimization of photovoltaic energy production through an efficient switching matrix

    Directory of Open Access Journals (Sweden)

    Pietro Romano

    2013-09-01

    Full Text Available This work presents a preliminary study on the implementation of a new system for power output maximization of photovoltaic generators under non-homogeneous conditions. The study evaluates the performance of an efficient switching matrix and the relevant automatic reconfiguration control algorithms. The switching matrix is installed between the PV generator and the inverter, allowing a large number of possible module configurations. PV generator, switching matrix and the intelligent controller have been simulated in Simulink. The proposed reconfiguration system improved the energy extracted by the PV generator under non-uniform solar irradiation conditions. Short calculation times of the proposed control algorithms allow its use in real time applications even where a higher number of PV modules is required.

  1. Dynamics Analysis for Hydroturbine Regulating System Based on Matrix Model

    Directory of Open Access Journals (Sweden)

    Jiafu Wei

    2017-01-01

    Full Text Available The hydraulic turbine model is the key factor which affects the analysis precision of the hydraulic turbine governing system. This paper discusses the basic principle of the hydraulic turbine matrix model and gives two methods to realize. Using the characteristic matrix to describe unit flow and torque and their relationship with the opening and unit speed, it can accurately represent the nonlinear characteristics of the turbine, effectively improve the convergence of simulation process, and meet the needs of high precision real-time simulation of power system. Through the simulation of a number of power stations, it indicates that, by analyzing the dynamic process of the hydraulic turbine regulating with 5-order matrix model, the calculation results and field test data will have good consistency, and it can better meet the needs of power system dynamic simulation.

  2. Widening the Scope of R-matrix Methods

    Energy Technology Data Exchange (ETDEWEB)

    Thompson, Ian J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Dimitriou, Paraskevi [IAEA, Vienna (Austria); DeBoer, Richard J. [Nieuwland Science Hall, Notre Dame, IN (United States); Kunieda, Satoshi [Nuclear Data Center (JAEA), Tokai (Japan); Paris, Mark [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Thompson, Ian [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Trkov, Andrej [IAEA, Vienna (Austria)

    2016-03-01

    A Consultant’s Meeting was held at the IAEA Headquarters, from 7 to 9 December 2015, to discuss the status of R-matrix codes currently used in calculations of charged-particle induced reaction cross sections at low energies. The ultimate goal was to initiate an international effort, coordinated by the IAEA, to evaluate charged-particle induced reactions in the resolved-resonance region. Participants reviewed the capabilities of the codes, the different implementations of R-matrix theory and translatability of the R-matrix parameters, the evaluation methods and suitable data formats for broader dissemination. The details of the presentations and technical discussions, as well as the actions that were proposed to achieve the goal of the meeting are summarized in this report.

  3. Multi scales based sparse matrix spectral clustering image segmentation

    Science.gov (United States)

    Liu, Zhongmin; Chen, Zhicai; Li, Zhanming; Hu, Wenjin

    2018-04-01

    In image segmentation, spectral clustering algorithms have to adopt the appropriate scaling parameter to calculate the similarity matrix between the pixels, which may have a great impact on the clustering result. Moreover, when the number of data instance is large, computational complexity and memory use of the algorithm will greatly increase. To solve these two problems, we proposed a new spectral clustering image segmentation algorithm based on multi scales and sparse matrix. We devised a new feature extraction method at first, then extracted the features of image on different scales, at last, using the feature information to construct sparse similarity matrix which can improve the operation efficiency. Compared with traditional spectral clustering algorithm, image segmentation experimental results show our algorithm have better degree of accuracy and robustness.

  4. Comprehensive T-Matrix Reference Database: A 2012 - 2013 Update

    Science.gov (United States)

    Mishchenko, Michael I.; Videen, Gorden; Khlebtsov, Nikolai G.; Wriedt, Thomas

    2013-01-01

    The T-matrix method is one of the most versatile, efficient, and accurate theoretical techniques widely used for numerically exact computer calculations of electromagnetic scattering by single and composite particles, discrete random media, and particles imbedded in complex environments. This paper presents the fifth update to the comprehensive database of peer-reviewed T-matrix publications initiated by us in 2004 and includes relevant publications that have appeared since 2012. It also lists several earlier publications not incorporated in the original database, including Peter Waterman's reports from the 1960s illustrating the history of the T-matrix approach and demonstrating that John Fikioris and Peter Waterman were the true pioneers of the multi-sphere method otherwise known as the generalized Lorenz - Mie theory.

  5. Online plasma calculator

    Science.gov (United States)

    Wisniewski, H.; Gourdain, P.-A.

    2017-10-01

    APOLLO is an online, Linux based plasma calculator. Users can input variables that correspond to their specific plasma, such as ion and electron densities, temperatures, and external magnetic fields. The system is based on a webserver where a FastCGI protocol computes key plasma parameters including frequencies, lengths, velocities, and dimensionless numbers. FastCGI was chosen to overcome security problems caused by JAVA-based plugins. The FastCGI also speeds up calculations over PHP based systems. APOLLO is built upon the WT library, which turns any web browser into a versatile, fast graphic user interface. All values with units are expressed in SI units except temperature, which is in electron-volts. SI units were chosen over cgs units because of the gradual shift to using SI units within the plasma community. APOLLO is intended to be a fast calculator that also provides the user with the proper equations used to calculate the plasma parameters. This system is intended to be used by undergraduates taking plasma courses as well as graduate students and researchers who need a quick reference calculation.

  6. Calculation of rf fields in axisymmetric cavities

    International Nuclear Information System (INIS)

    Iwashita, Y.

    1985-01-01

    A new code, PISCES, has been developed for calculating a complete set of rf electromagnetic modes in an axisymmetric cavity. The finite-element method is used with up to third-order shape functions. Although two components are enough to express these modes, three components are used as unknown variables to take advantage of the symmetry of the element matrix. The unknowns are taken to be either the electric field components or the magnetic field components. The zero-divergence condition will be satisfied by the shape function within each element

  7. Nodewise analytical calculation of the transfer function

    International Nuclear Information System (INIS)

    Makai, Mihaly

    1994-01-01

    The space dependence of neutron noise has so far been mostly investigated in homogeneous core models. Application of core diagnostic methods to locate a malfunction requires however that the transfer function be calculated for real, inhomogeneous cores. A code suitable for such purpose must be able to handle complex arithmetic and delta-function source. Further requirements are analytical dependence in one spatial variable and fast execution. The present work describes the TIDE program written to fulfil the above requirements. The core is subdivided into homogeneous, square assemblies. An analytical solution is given, which is a generalisation of the inhomogeneous response matrix method. (author)

  8. COMRAD96, Nuclear Fuel Burnup and Depletion Calculation System

    International Nuclear Information System (INIS)

    Suyama, K.; Masukawa, F.; Ido, M.; Enomoto, M.; Takyu, S.; Hara, T.

    2002-01-01

    1 - Description of program or function: Burn-up calculation of nuclear fuel. 2 - Methods: Matrix exponential method, Bateman Equation. 3 - Restrictions on the complexity of the problem: a) One-grouped cross section library should be prepared for the fuel system to be analyzed using UNITBURN. However, UNITBURN is not available now for UNIX systems. b) Gamma ray spectrometry calculation will fail using the attached piflib routine. This problem has already been rectified in the internal version. 4 - Typical running time: Two minutes for standard burn-up calculation on Sun ULTRA 30. 5 - Unusual features - a) Selection of Matrix exponential method, or Bateman Equation. b) JDDL, a detailed decay chain data based on ENSDF. 6 - Related or auxiliary programs: UNITBURN: Burnup calculation code unit cell system

  9. Matrix theory selected topics and useful results

    CERN Document Server

    Mehta, Madan Lal

    1989-01-01

    Matrices and operations on matrices ; determinants ; elementary operations on matrices (continued) ; eigenvalues and eigenvectors, diagonalization of normal matrices ; functions of a matrix ; positive definiteness, various polar forms of a matrix ; special matrices ; matrices with quaternion elements ; inequalities ; generalised inverse of a matrix ; domain of values of a matrix, location and dispersion of eigenvalues ; symmetric functions ; integration over matrix variables ; permanents of doubly stochastic matrices ; infinite matrices ; Alexander matrices, knot polynomials, torsion numbers.

  10. Daylight calculations in practice

    DEFF Research Database (Denmark)

    Iversen, Anne; Roy, Nicolas; Hvass, Mette

    The aim of the project was to obtain a better understanding of what daylight calculations show and also to gain knowledge of how the different daylight simulation programs perform compared with each other. Experience has shown that results for the same room, obtained from two daylight simulation...... programs can give different results. This can be due to restrictions in the program itself and/or be due to the skills of the persons setting up the models. This is crucial as daylight calculations are used to document that the demands and recommendations to daylight levels outlined by building authorities....... The aim of the project was to obtain a better understanding of what daylight calculations show and also to gain knowledge of how the different daylight simulation programs perform compared with each other. Furthermore the aim was to provide knowledge of how to build up the 3D models that were...

  11. Calculating Quenching Weights

    CERN Document Server

    Salgado, C A; Salgado, Carlos A.; Wiedemann, Urs Achim

    2003-01-01

    We calculate the probability (``quenching weight'') that a hard parton radiates an additional energy fraction due to scattering in spatially extended QCD matter. This study is based on an exact treatment of finite in-medium path length, it includes the case of a dynamically expanding medium, and it extends to the angular dependence of the medium-induced gluon radiation pattern. All calculations are done in the multiple soft scattering approximation (Baier-Dokshitzer-Mueller-Peign\\'e-Schiff--Zakharov ``BDMPS-Z''-formalism) and in the single hard scattering approximation (N=1 opacity approximation). By comparison, we establish a simple relation between transport coefficient, Debye screening mass and opacity, for which both approximations lead to comparable results. Together with this paper, a CPU-inexpensive numerical subroutine for calculating quenching weights is provided electronically. To illustrate its applications, we discuss the suppression of hadronic transverse momentum spectra in nucleus-nucleus colli...

  12. Response matrix of a multisphere neutron spectrometer with an 3 He proportional counter

    International Nuclear Information System (INIS)

    Vega C, H.R.; Manzanares A, E.; Hernandez D, V.M.; Mercado S, G.A.

    2005-01-01

    The response matrix of a Bonner sphere spectrometer was calculated by use of the MCNP code. As thermal neutron counter, the spectrometer has a 3.2 cm-diameter 3 He-filled proportional counter which is located at the center of a set of polyethylene spheres. The response was calculated for 0, 3, 5, 6, 8, 10, 12, and 16 inches-diameter polyethylene spheres for neutrons whose energy goes from 10 -9 to 20 MeV. The response matrix was compared with a set of responses measured with several monoenergetic neutron sources. In this comparison the calculated matrix agrees with the experimental results. The matrix was also compared with the response matrix calculated for the PTB C spectrometer. Even though that calculation was carried out using a detailed model to describe the proportional counter; both matrices do agree, but small differences are observed in the bare case because of the difference in the model used during calculations. Other differences are in some spheres for 14.8 and 20 MeV neutrons, probably due to the differences in the cross sections used during both calculations. (Author) 28 refs., 1 tab., 6 figs

  13. Parallel Sparse Matrix - Vector Product

    DEFF Research Database (Denmark)

    Alexandersen, Joe; Lazarov, Boyan Stefanov; Dammann, Bernd

    This technical report contains a case study of a sparse matrix-vector product routine, implemented for parallel execution on a compute cluster with both pure MPI and hybrid MPI-OpenMP solutions. C++ classes for sparse data types were developed and the report shows how these class can be used...

  14. Unravelling the nuclear matrix proteome

    DEFF Research Database (Denmark)

    Albrethsen, Jakob; Knol, Jaco C; Jimenez, Connie R

    2009-01-01

    The nuclear matrix (NM) model posits the presence of a protein/RNA scaffold that spans the mammalian nucleus. The NM proteins are involved in basic nuclear function and are a promising source of protein biomarkers for cancer. Importantly, the NM proteome is operationally defined as the proteins...

  15. Amorphous metal matrix composite ribbons

    International Nuclear Information System (INIS)

    Barczy, P.; Szigeti, F.

    1998-01-01

    Composite ribbons with amorphous matrix and ceramic (SiC, WC, MoB) particles were produced by modified planar melt flow casting methods. Weldability, abrasive wear and wood sanding examinations were carried out in order to find optimal material and technology for elevated wear resistance and sanding durability. The correlation between structure and composite properties is discussed. (author)

  16. Hyper-systolic matrix multiplication

    NARCIS (Netherlands)

    Lippert, Th.; Petkov, N.; Palazzari, P.; Schilling, K.

    A novel parallel algorithm for matrix multiplication is presented. It is based on a 1-D hyper-systolic processor abstraction. The procedure can be implemented on all types of parallel systems. (C) 2001 Elsevier Science B,V. All rights reserved.

  17. Matrix Metalloproteinases in Myasthenia Gravis

    NARCIS (Netherlands)

    Helgeland, G.; Petzold, A.F.S.; Luckman, S.P.; Gilhus, N.E.; Plant, G.T.; Romi, F.R.

    2011-01-01

    Introduction: Myasthenia gravis (MG) is an autoimmune disease with weakness in striated musculature due to anti-acetylcholine receptor (AChR) antibodies or muscle specific kinase at the neuromuscular junction. A subgroup of patients has periocular symptoms only; ocular MG (OMG). Matrix

  18. Concept for Energy Security Matrix

    International Nuclear Information System (INIS)

    Kisel, Einari; Hamburg, Arvi; Härm, Mihkel; Leppiman, Ando; Ots, Märt

    2016-01-01

    The following paper presents a discussion of short- and long-term energy security assessment methods and indicators. The aim of the current paper is to describe diversity of approaches to energy security, to structure energy security indicators used by different institutions and papers, and to discuss several indicators that also play important role in the design of energy policy of a state. Based on this analysis the paper presents a novel Energy Security Matrix that structures relevant energy security indicators from the aspects of Technical Resilience and Vulnerability, Economic Dependence and Political Affectability for electricity, heat and transport fuel sectors. Earlier publications by different authors have presented energy security assessment methodologies that use publicly available indicators from different databases. Current paper challenges viability of some of these indicators and introduces new indicators that would deliver stronger energy security policy assessments. Energy Security Matrix and its indicators are based on experiences that the authors have gathered as high-level energy policymakers in Estonia, where all different aspects of energy security can be observed. - Highlights: •Energy security should be analysed in technical, economic and political terms; •Energy Security Matrix provides a framework for energy security analyses; •Applicability of Matrix is limited due to the lack of statistical data and sensitivity of output.

  19. The COMPADRE Plant Matrix Database

    DEFF Research Database (Denmark)

    2014-01-01

    COMPADRE contains demographic information on hundreds of plant species. The data in COMPADRE are in the form of matrix population models and our goal is to make these publicly available to facilitate their use for research and teaching purposes. COMPADRE is an open-access database. We only request...

  20. A two-matrix alternative

    Czech Academy of Sciences Publication Activity Database

    Rohn, Jiří

    2013-01-01

    Roč. 26, 15 December (2013), s. 836-841 ISSN 1537-9582 Institutional support: RVO:67985807 Keywords : two-matrix alternative * solution * algorithm Subject RIV: BA - General Mathematics Impact factor: 0.514, year: 2013 http://www.math.technion.ac.il/iic/ ela / ela -articles/articles/vol26_pp836-841.pdf

  1. Regularization in Matrix Relevance Learning

    NARCIS (Netherlands)

    Schneider, Petra; Bunte, Kerstin; Stiekema, Han; Hammer, Barbara; Villmann, Thomas; Biehl, Michael

    A In this paper, we present a regularization technique to extend recently proposed matrix learning schemes in learning vector quantization (LVQ). These learning algorithms extend the concept of adaptive distance measures in LVQ to the use of relevance matrices. In general, metric learning can

  2. Three recent TDHF calculations

    International Nuclear Information System (INIS)

    Weiss, M.S.

    1981-05-01

    Three applications of TDHF are discussed. First, vibrational spectra of a post grazing collision 40 Ca nucleus is examined and found to contain many high energy components, qualitatively consistent with recent Orsay experiments. Second, the fusion cross section in energy and angular momentum are calculated for 16 O + 24 Mg to exhibit the parameters of the low l window for this system. A sensitivity of the fusion cross section to the effective two body potential is discussed. Last, a preliminary analysis of 86 Kr + 139 La at E/sub lab/ = 505 MeV calculated in the frozen approximation is displayed, compared to experiment and discussed

  3. Fission neutron multiplicity calculations

    International Nuclear Information System (INIS)

    Maerten, H.; Ruben, A.; Seeliger, D.

    1991-01-01

    A model for calculating neutron multiplicities in nuclear fission is presented. It is based on the solution of the energy partition problem as function of mass asymmetry within a phenomenological approach including temperature-dependent microscopic energies. Nuclear structure effects on fragment de-excitation, which influence neutron multiplicities, are discussed. Temperature effects on microscopic energy play an important role in induced fission reactions. Calculated results are presented for various fission reactions induced by neutrons. Data cover the incident energy range 0-20 MeV, i.e. multiple chance fission is considered. (author). 28 refs, 13 figs

  4. Lattice cell burnup calculation

    International Nuclear Information System (INIS)

    Pop-Jordanov, J.

    1977-01-01

    Accurate burnup prediction is a key item for design and operation of a power reactor. It should supply information on isotopic changes at each point in the reactor core and the consequences of these changes on the reactivity, power distribution, kinetic characters, control rod patterns, fuel cycles and operating strategy. A basic stage in the burnup prediction is the lattice cell burnup calculation. This series of lectures attempts to give a review of the general principles and calculational methods developed and applied in this area of burnup physics

  5. PWR core design calculations

    Energy Technology Data Exchange (ETDEWEB)

    Trkov, A; Ravnik, M; Zeleznik, N [Inst. Jozef Stefan, Ljubljana (Slovenia)

    1992-07-01

    Functional description of the programme package Cord-2 for PWR core design calculations is presented. Programme package is briefly described. Use of the package and calculational procedures for typical core design problems are treated. Comparison of main results with experimental values is presented as part of the verification process. (author) [Slovenian] Opisali smo programski paket CORD-2, ki se uporablja pri projektnih izracunih sredice pri upravljanju tlacnovodnega reaktorja. Prikazana je uporaba paketa in racunskih postopkov za tipicne probleme, ki nastopajo pri projektiranju sredice. Primerjava glavnih rezultatov z eksperimentalnimi vrednostmi je predstavljena kot del preveritvenega procesa. (author)

  6. Progress on calculations of nuclear data at Tsinghua University

    International Nuclear Information System (INIS)

    Chen Zhenpeng

    1995-01-01

    The calculated cross sections of direct inelastic scattering neutron from Ni, the research on using parameters of SOM in calculation of CCOM (coupled-channel optical model) and the reduced R-matrix analysis of n+ 16 O between 6.2 and 10.5 MeV are described. The total cross section and (n,α) cross section of n + 16 O are shown out. (2 tabs., 1 fig.)

  7. Numerical calculations in elementary quantum mechanics using Feynman path integrals

    International Nuclear Information System (INIS)

    Scher, G.; Smith, M.; Baranger, M.

    1980-01-01

    We show that it is possible to do numerical calculations in elementary quantum mechanics using Feynman path integrals. Our method involves discretizing both time and space, and summing paths through matrix multiplication. We give numerical results for various one-dimensional potentials. The calculations of energy levels and wavefunctions take approximately 100 times longer than with standard methods, but there are other problems for which such an approach should be more efficient

  8. An Ada environment for relativistic cross section calculations

    International Nuclear Information System (INIS)

    Nilsson, E.

    1990-01-01

    We have developed an Ada environment adapted to relativistic cross section calculations. Objects such as four-vectors, γ- matrices and propagators are defined as well as operations between these objects. In this environment matrix elements can be expressed in a compact and readable way as Ada code. Unpolarized cross sections are calculated numerically by explicitly summing and averaging over spins and polarizations. A short presentation of the technique is given

  9. Theory of the particle matrix elements for Helium atom scattering in surfaces

    International Nuclear Information System (INIS)

    Khater, A.; Toennies, J.P.

    2000-01-01

    Full text.A brief review is presented for the recent development of the theory of the particle transition matrix elements, basic to the cross section for Helium and inert particle scattering at thermal energies in solid surfaces. the Jackson and Mott matrix elements are presented and discussed for surface scattering processes, habitually classified as elastic and inelastic. Modified transition matrix elements, introduced originally to account for the cut-off effects, are presented in a direct and simple manner. the Debye-Waller factor is introduced and discussed. A recent calculation for the particle transition matrix elements is presented for the specular and inelastic transition matrix elements and the corresponding inelastic scattering cross section is compared in detail to experimental data. the specular and inelastic transition matrix elements are found to be intrinsically similar owing to the intermediate role of a proposed virtual particle squeezed state near the surface

  10. Hadronic matrix elements in the QCD on the lattice

    International Nuclear Information System (INIS)

    Altmeyer, R.

    1995-01-01

    The work describes a lattice simulation of full QCD with dynamical Kogut-Susskind fermions. We evaluated different hadronic matrix elements which are related to the static and low-energy behaviour of hadrons. The analysis was performed on a 16 3 x 24 lattice with a coupling constant of β = 5.35 and a quark mass of m = 0.010. The calculations are based on a set of 85 configurations created by using a Hybrid-Monte-Carlo algorithm. First we evaluated the mass and energy spectrum of the low-lying hadrons using local operators as well as non-local operators. As the complete spectrum of the different pion and ρ meson lattice representations has been calculated we were able to check the restoration of continuum flavor symmetry. Moreover, the determination of energies E of hadron states with non-vanishing momentum vector q made it possible to investigate the lattice dispersion function E( vector q). Another part of the presented work is the determination of mesonic decay constants which parameterise the weak decay of mesons. They are related to hadronic matrix elements of the respective quark currents and through the calculation of these matrix elements we were able to determine the decay constants f π and f ρ . Before doing so, we calculated non-perturbatively renormalization constants for the currents under consideration. The next part is the determination of hadronic coupling constants. These parameterise in an effective low-energy model the interactions of different hadrons. They are related to hadronic matrix elements whose lattice calculation can be dpme bu evaluating 3-point correlation functions. Thus we evaluted the hadronic coupling constants g ρππ and g NNπ . Finally, an investigation of the pion-nucleon σterm was done. The σterm is defined through a hadronic matrix element of a quark-antiquark operator and can thus be evaluated on the lattice via the calculation of a 3-point correlation function. As we determined the connected and the disconnected

  11. The strategy of spectral shifts and the sets of correct methods for calculating eigenvalues of general tridiagonal matrices

    International Nuclear Information System (INIS)

    Emel'yanenko, G.A.; Sek, I.E.

    1988-01-01

    Many correctable unknown methods for eigenvalue calculation of general tridiagonal matrices with real elements; criteria of singular tridiagonal matrices; necessary and sufficient conditions of tridiagonal matrix degeneracy; process with boundary conditions according to calculation processes of general upper and lower tridiagonal matrix minors are obtained. 6 refs

  12. Matrix elements of a hyperbolic vector operator under SO(2,1)

    International Nuclear Information System (INIS)

    Zettili, N.; Boukahil, A.

    2003-01-01

    We deal here with the use of Wigner–Eckart type arguments to calculate the matrix elements of a hyperbolic vector operator V-vector by expressing them in terms of reduced matrix elements. In particular, we focus on calculating the matrix elements of this vector operator within the basis of the hyperbolic angular momentum T-vector whose components T-vector 1 , T-vector 2 , T-vector 3 satisfy an SO(2,1) Lie algebra. We show that the commutation rules between the components of V-vector and T-vector can be inferred from the algebra of ordinary angular momentum. We then show that, by analogy to the Wigner–Eckart theorem, we can calculate the matrix elements of V-vector within a representation where T-vector 2 and T-vector 3 are jointly diagonal. (author)

  13. Sparse-matrix factorizations for fast symmetric Fourier transforms

    International Nuclear Information System (INIS)

    Sequel, J.

    1987-01-01

    This work proposes new fast algorithms computing the discrete Fourier transform of certain families of symmetric sequences. Sequences commonly found in problems of structure determination by x-ray crystallography and in numerical solutions of boundary-value problems in partial differential equations are dealt with. In the algorithms presented, the redundancies in the input and output data, due to the presence of symmetries in the input data sequence, were eliminated. Using ring-theoretical methods a matrix representation is obtained for the remaining calculations; which factors as the product of a complex block-diagonal matrix times as integral matrix. A basic two-step algorithm scheme arises from this factorization with a first step consisting of pre-additions and a second step containing the calculations involved in computing with the blocks in the block-diagonal factor. These blocks are structured as block-Hankel matrices, and two sparse-matrix factoring formulas are developed in order to diminish their arithmetic complexity

  14. The J-Matrix Method Developments and Applications

    CERN Document Server

    Alhaidari, Abdulaziz D; Heller, Eric J; Abdelmonem, Mohamed S

    2008-01-01

    This volume aims to provide the fundamental knowledge to appreciate the advantages of the J-matrix method and to encourage its use and further development. The J-matrix method is an algebraic method of quantum scattering with substantial success in atomic and nuclear physics. The accuracy and convergence property of the method compares favourably with other successful scattering calculation methods. Despite its thirty-year long history new applications are being found for the J-matrix method. This book gives a brief account of the recent developments and some selected applications of the method in atomic and nuclear physics. New findings are reported in which experimental results are compared to theoretical calculations. Modifications, improvements and extensions of the method are discussed using the language of the J-matrix. The volume starts with a Foreword by the two co-founders of the method, E.J. Heller and H.A. Yamani and it contains contributions from 24 prominent international researchers.

  15. Application of backtracking algorithm to depletion calculations

    International Nuclear Information System (INIS)

    Wu Mingyu; Wang Shixi; Yang Yong; Zhang Qiang; Yang Jiayin

    2013-01-01

    Based on the theory of linear chain method for analytical depletion calculations, the burnup matrix is decoupled by the divide and conquer strategy and the linear chain with Markov characteristic is formed. The density, activity and decay heat of every nuclide in the chain then can be calculated by analytical solutions. Every possible reaction path of the nuclide must be considered during the linear chain establishment process. To confirm the calculation precision and efficiency, the algorithm which can cover all the reaction paths and search the paths automatically according to the problem description and precision restrictions should be found. Through analysis and comparison of several kinds of searching algorithms, the backtracking algorithm was selected to establish and calculate the linear chains in searching process using depth first search (DFS) method, forming an algorithm which can solve the depletion problem adaptively and with high fidelity. The complexity of the solution space and time was analyzed by taking into account depletion process and the characteristics of the backtracking algorithm. The newly developed depletion program was coupled with Monte Carlo program MCMG-Ⅱ to calculate the benchmark burnup problem of the first core of China Experimental Fast Reactor (CEFR) and the preliminary verification and validation of the program were performed. (authors)

  16. Calculating Student Grades.

    Science.gov (United States)

    Allswang, John M.

    1986-01-01

    This article provides two short microcomputer gradebook programs. The programs, written in BASIC for the IBM-PC and Apple II, provide statistical information about class performance and calculate grades either on a normal distribution or based on teacher-defined break points. (JDH)

  17. Cardiovascular risk calculation

    African Journals Online (AJOL)

    James A. Ker

    2014-08-20

    Aug 20, 2014 ... smoking and elevated blood sugar levels (diabetes mellitus). These risk ... These are risk charts, e.g. FRS, a non-laboratory-based risk calculation, and ... for hard cardiovascular end-points, such as coronary death, myocardial ...

  18. Cooling tower calculations

    International Nuclear Information System (INIS)

    Simonkova, J.

    1988-01-01

    The problems are summed up of the dynamic calculation of cooling towers with forced and natural air draft. The quantities and relations are given characterizing the simultaneous exchange of momentum, heat and mass in evaporative water cooling by atmospheric air in the packings of cooling towers. The method of solution is clarified in the calculation of evaporation criteria and thermal characteristics of countercurrent and cross current cooling systems. The procedure is demonstrated of the calculation of cooling towers, and correction curves and the effect assessed of the operating mode at constant air number or constant outlet air volume flow on their course in ventilator cooling towers. In cooling towers with the natural air draft the flow unevenness is assessed of water and air relative to its effect on the resulting cooling efficiency of the towers. The calculation is demonstrated of thermal and resistance response curves and cooling curves of hydraulically unevenly loaded towers owing to the water flow rate parameter graded radially by 20% along the cross-section of the packing. Flow rate unevenness of air due to wind impact on the outlet air flow from the tower significantly affects the temperatures of cooled water in natural air draft cooling towers of a design with lower demands on aerodynamics, as early as at wind velocity of 2 m.s -1 as was demonstrated on a concrete example. (author). 11 figs., 10 refs

  19. Hypervelocity impact cratering calculations

    Science.gov (United States)

    Maxwell, D. E.; Moises, H.

    1971-01-01

    A summary is presented of prediction calculations on the mechanisms involved in hypervelocity impact cratering and response of earth media. Considered are: (1) a one-gram lithium-magnesium alloys impacting basalt normally at 6.4 km/sec, and (2) a large terrestrial impact corresponding to that of Sierra Madera.

  20. Languages for structural calculations

    International Nuclear Information System (INIS)

    Thomas, J.B.; Chambon, M.R.

    1988-01-01

    The differences between human and computing languages are recalled. It is argued that they are to some extent structured in antagonistic ways. Languages in structural calculation, in the past, present, and future, are considered. The contribution of artificial intelligence is stressed [fr

  1. Monte Carlo alpha calculation

    Energy Technology Data Exchange (ETDEWEB)

    Brockway, D.; Soran, P.; Whalen, P.

    1985-01-01

    A Monte Carlo algorithm to efficiently calculate static alpha eigenvalues, N = ne/sup ..cap alpha..t/, for supercritical systems has been developed and tested. A direct Monte Carlo approach to calculating a static alpha is to simply follow the buildup in time of neutrons in a supercritical system and evaluate the logarithmic derivative of the neutron population with respect to time. This procedure is expensive, and the solution is very noisy and almost useless for a system near critical. The modified approach is to convert the time-dependent problem to a static ..cap alpha../sup -/eigenvalue problem and regress ..cap alpha.. on solutions of a/sup -/ k/sup -/eigenvalue problem. In practice, this procedure is much more efficient than the direct calculation, and produces much more accurate results. Because the Monte Carlo codes are intrinsically three-dimensional and use elaborate continuous-energy cross sections, this technique is now used as a standard for evaluating other calculational techniques in odd geometries or with group cross sections.

  2. Reactor dynamics calculations

    International Nuclear Information System (INIS)

    Devooght, J.; Lefvert, T.; Stankiewiez, J.

    1981-01-01

    This chapter deals with the work done in reactor dynamics within the Coordinated Research Program on Transport Theory and Advanced Reactor Calculations by three groups in Belgium, Poland, Sweden and Italy. Discretization methods in diffusion theory, collision probability methods in time-dependent neutron transport and singular perturbation method are represented in this paper

  3. Equilibrium fission model calculations

    International Nuclear Information System (INIS)

    Beckerman, M.; Blann, M.

    1976-01-01

    In order to aid in understanding the systematics of heavy ion fission and fission-like reactions in terms of the target-projectile system, bombarding energy and angular momentum, fission widths are calculated using an angular momentum dependent extension of the Bohr-Wheeler theory and particle emission widths using angular momentum coupling

  4. Iterative acceleration methods for Monte Carlo and deterministic criticality calculations

    International Nuclear Information System (INIS)

    Urbatsch, T.J.

    1995-11-01

    If you have ever given up on a nuclear criticality calculation and terminated it because it took so long to converge, you might find this thesis of interest. The author develops three methods for improving the fission source convergence in nuclear criticality calculations for physical systems with high dominance ratios for which convergence is slow. The Fission Matrix Acceleration Method and the Fission Diffusion Synthetic Acceleration (FDSA) Method are acceleration methods that speed fission source convergence for both Monte Carlo and deterministic methods. The third method is a hybrid Monte Carlo method that also converges for difficult problems where the unaccelerated Monte Carlo method fails. The author tested the feasibility of all three methods in a test bed consisting of idealized problems. He has successfully accelerated fission source convergence in both deterministic and Monte Carlo criticality calculations. By filtering statistical noise, he has incorporated deterministic attributes into the Monte Carlo calculations in order to speed their source convergence. He has used both the fission matrix and a diffusion approximation to perform unbiased accelerations. The Fission Matrix Acceleration method has been implemented in the production code MCNP and successfully applied to a real problem. When the unaccelerated calculations are unable to converge to the correct solution, they cannot be accelerated in an unbiased fashion. A Hybrid Monte Carlo method weds Monte Carlo and a modified diffusion calculation to overcome these deficiencies. The Hybrid method additionally possesses reduced statistical errors

  5. Iterative acceleration methods for Monte Carlo and deterministic criticality calculations

    Energy Technology Data Exchange (ETDEWEB)

    Urbatsch, T.J.

    1995-11-01

    If you have ever given up on a nuclear criticality calculation and terminated it because it took so long to converge, you might find this thesis of interest. The author develops three methods for improving the fission source convergence in nuclear criticality calculations for physical systems with high dominance ratios for which convergence is slow. The Fission Matrix Acceleration Method and the Fission Diffusion Synthetic Acceleration (FDSA) Method are acceleration methods that speed fission source convergence for both Monte Carlo and deterministic methods. The third method is a hybrid Monte Carlo method that also converges for difficult problems where the unaccelerated Monte Carlo method fails. The author tested the feasibility of all three methods in a test bed consisting of idealized problems. He has successfully accelerated fission source convergence in both deterministic and Monte Carlo criticality calculations. By filtering statistical noise, he has incorporated deterministic attributes into the Monte Carlo calculations in order to speed their source convergence. He has used both the fission matrix and a diffusion approximation to perform unbiased accelerations. The Fission Matrix Acceleration method has been implemented in the production code MCNP and successfully applied to a real problem. When the unaccelerated calculations are unable to converge to the correct solution, they cannot be accelerated in an unbiased fashion. A Hybrid Monte Carlo method weds Monte Carlo and a modified diffusion calculation to overcome these deficiencies. The Hybrid method additionally possesses reduced statistical errors.

  6. Status and prospects for lattice calculations in heavy quark physics

    International Nuclear Information System (INIS)

    Wittig, H.; Forschungszentrum Juelich GmbH

    1996-06-01

    The current status of lattice calculation of weak matrix elements for heavy quark systems is reviewed. After an assessment of systematic errors in present simulations, results for the B meson decay constant, the B parameter B B and semi-leptonic heavy-to-light and heavy-to-heavy transitions are discussed. The final topic are lattice results for heavy baryon spectroscopy. (orig.)

  7. Advanced Geometric Optics on a Programmable Pocket Calculator.

    Science.gov (United States)

    Nussbaum, Allen

    1979-01-01

    Presents a ray-tracing procedure based on some ideas of Herzberger and the matrix approach to geometrical optics. This method, which can be implemented on a programmable pocket calculator, applies to any conic surface, including paraboloids, spheres, and planes. (Author/GA)

  8. Analysis of Nonlinear Dynamics by Square Matrix Method

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Li Hua [Brookhaven National Lab. (BNL), Upton, NY (United States). Energy and Photon Sciences Directorate. National Synchrotron Light Source II

    2016-07-25

    The nonlinear dynamics of a system with periodic structure can be analyzed using a square matrix. In this paper, we show that because the special property of the square matrix constructed for nonlinear dynamics, we can reduce the dimension of the matrix from the original large number for high order calculation to low dimension in the first step of the analysis. Then a stable Jordan decomposition is obtained with much lower dimension. The transformation to Jordan form provides an excellent action-angle approximation to the solution of the nonlinear dynamics, in good agreement with trajectories and tune obtained from tracking. And more importantly, the deviation from constancy of the new action-angle variable provides a measure of the stability of the phase space trajectories and their tunes. Thus the square matrix provides a novel method to optimize the nonlinear dynamic system. The method is illustrated by many examples of comparison between theory and numerical simulation. Finally, in particular, we show that the square matrix method can be used for optimization to reduce the nonlinearity of a system.

  9. Total energy calculations for structural phase transformations

    International Nuclear Information System (INIS)

    Ye, Y.Y.; Chan, C.T.; Ho, K.M.; Harmon, B.N.

    1990-01-01

    The structural integrity and physical properties of crystalline solids are frequently limited or enhanced by the occurrence of phase transformations. Martensitic transformations involve the collective displacement of atoms from one ordered state to another. Modern methods to determine the microscopic electronic changes as the atoms move are now accurate enough to evaluate the very small energy differences involved. Extensive first principles calculations for the prototypical martensitic transformation from body-centered cubic (bcc) to closepacked 9R structure in sodium metal are described. The minimum energy coordinate or configuration path between the bcc and 9R structures is determined as well as paths to other competing close-packed structures. The energy barriers and important anharmonic interactions are identified and general conclusions drawn. The calculational methods used to solve the Schrodinger equation include pseudopotentials, fast Fourier transforms, efficient matrix diagnonalization, and supercells with many atoms

  10. Analytical electromagnetic calculations for practical superconductors

    International Nuclear Information System (INIS)

    Tominaka, T

    2008-01-01

    The current distributions of twisted long filamentary composites are studied during the current sweep and under the transverse and longitudinal external field, using the inductance matrix among superconducting helical filaments and the inductive voltage between filaments and the external coil in the circuit equation. The self- and mutual inductances of helical conductors with a uniform helical current density are approximately calculated from the analytical expressions of long helical thin conductors. In addition, the magnetic field and the vector potential distributions of a twisted superconducting composite are also obtained by the numerical integral calculation over the cross section of the analytical expressions for the magnetic field and vector potential due to an infinitely long helical conductor

  11. Multilevel domain decomposition for electronic structure calculations

    International Nuclear Information System (INIS)

    Barrault, M.; Cances, E.; Hager, W.W.; Le Bris, C.

    2007-01-01

    We introduce a new multilevel domain decomposition method (MDD) for electronic structure calculations within semi-empirical and density functional theory (DFT) frameworks. This method iterates between local fine solvers and global coarse solvers, in the spirit of domain decomposition methods. Using this approach, calculations have been successfully performed on several linear polymer chains containing up to 40,000 atoms and 200,000 atomic orbitals. Both the computational cost and the memory requirement scale linearly with the number of atoms. Additional speed-up can easily be obtained by parallelization. We show that this domain decomposition method outperforms the density matrix minimization (DMM) method for poor initial guesses. Our method provides an efficient preconditioner for DMM and other linear scaling methods, variational in nature, such as the orbital minimization (OM) procedure

  12. Omentin-1 prevents cartilage matrix destruction by regulating matrix metalloproteinases.

    Science.gov (United States)

    Li, Zhigang; Liu, Baoyi; Zhao, Dewei; Wang, BenJie; Liu, Yupeng; Zhang, Yao; Li, Borui; Tian, Fengde

    2017-08-01

    Matrix metalloproteinases (MMPs) play a crucial role in the degradation of the extracellular matrix and pathological progression of osteoarthritis (OA). Omentin-1 is a newly identified anti-inflammatory adipokine. Little information regarding the protective effects of omentin-1 in OA has been reported before. In the current study, our results indicated that omentin-1 suppressed expression of MMP-1, MMP-3, and MMP-13 induced by the proinflammatory cytokine interleukin-1β (IL-1β) at both the mRNA and protein levels in human chondrocytes. Importantly, administration of omentin-1 abolished IL-1β-induced degradation of type II collagen (Col II) and aggrecan, the two major extracellular matrix components in articular cartilage, in a dose-dependent manner. Mechanistically, omentin-1 ameliorated the expression of interferon regulatory factor 1 (IRF-1) by blocking the JAK-2/STAT3 pathway. Our results indicate that omentin-1 may have a potential chondroprotective therapeutic capacity. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  13. Modeling the curing process of thermosetting resin matrix composites

    Science.gov (United States)

    Loos, A. C.

    1986-01-01

    A model is presented for simulating the curing process of a thermosetting resin matrix composite. The model relates the cure temperature, the cure pressure, and the properties of the prepreg to the thermal, chemical, and rheological processes occurring in the composite during cure. The results calculated with the computer code developed on the basis of the model were compared with the experimental data obtained from autoclave-curved composite laminates. Good agreement between the two sets of results was obtained.

  14. Double β-decay nuclear matrix elements and lepton conservation

    International Nuclear Information System (INIS)

    Vergados, J.D.

    1976-01-01

    The nuclear matrix elements involved in the double β-decay of 48 Ca, 130 Te, and 128 Te were calculated using realistic nuclear interactions and shell model nuclear wave functions. The double doorway state is not appreciably mixed in the ground state of the final nuclei. So the ground state transitions contain a small fraction of the sum rule. A lepton nonconservation parameter eta -4 was deduced

  15. A stochastic method for computing hadronic matrix elements

    Energy Technology Data Exchange (ETDEWEB)

    Alexandrou, Constantia [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; The Cyprus Institute, Nicosia (Cyprus). Computational-based Science and Technology Research Center; Dinter, Simon; Drach, Vincent [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Jansen, Karl [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Hadjiyiannakou, Kyriakos [Cyprus Univ., Nicosia (Cyprus). Dept. of Physics; Renner, Dru B. [Thomas Jefferson National Accelerator Facility, Newport News, VA (United States); Collaboration: European Twisted Mass Collaboration

    2013-02-15

    We present a stochastic method for the calculation of baryon three-point functions that is more versatile compared to the typically used sequential method. We analyze the scaling of the error of the stochastically evaluated three-point function with the lattice volume and find a favorable signal-to-noise ratio suggesting that our stochastic method can be used efficiently at large volumes to compute hadronic matrix elements.

  16. A study of block algorithms for fermion matrix inversion

    International Nuclear Information System (INIS)

    Henty, D.

    1990-01-01

    We compare the convergence properties of Lanczos and Conjugate Gradient algorithms applied to the calculation of columns of the inverse fermion matrix for Kogut-Susskind and Wilson fermions in lattice QCD. When several columns of the inverse are required simultaneously, a block version of the Lanczos algorithm is most efficient at small mass, being over 5 times faster than the single algorithms. The block algorithm is also less susceptible to critical slowing down. (orig.)

  17. Immobilization of cellulase using porous polymer matrix

    International Nuclear Information System (INIS)

    Kumakura, M.; Kaetsu, I.

    1984-01-01

    A new method is discussed for the immobilization of cellulase using porous polymer matrices, which were obtained by radiation polymerization of hydrophilic monomers. In this method, the immobilized enzyme matrix was prepared by enzyme absorbtion in the porous polymer matrix and drying treatment. The enzyme activity of the immobilized enzyme matrix varied with monomer concentration, cooling rate of the monomer solution, and hydrophilicity of the polymer matrix, takinn the change of the nature of the porous structure in the polymer matrix. The leakage of the enzymes from the polymer matrix was not observed in the repeated batch enzyme reactions

  18. Course on hybrid calculation

    International Nuclear Information System (INIS)

    Weill, J.; Tellier; Bonnemay; Craigne; Chareton; Di Falco

    1969-02-01

    After a definition of hybrid calculation (combination of analogue and digital calculation) with a distinction between series and parallel hybrid computing, and a description of a hybrid computer structure and of task sharing between computers, this course proposes a description of hybrid hardware used in Saclay and Cadarache computing centres, and of operations performed by these systems. The next part addresses issues related to programming languages and software. The fourth part describes how a problem is organised for its processing on these computers. Methods of hybrid analysis are then addressed: resolution of optimisation problems, of partial differential equations, and of integral equations by means of different methods (gradient, maximum principle, characteristics, functional approximation, time slicing, Monte Carlo, Neumann iteration, Fischer iteration)

  19. Calculation of projected ranges

    International Nuclear Information System (INIS)

    Biersack, J.P.

    1980-09-01

    The concept of multiple scattering is reconsidered for obtaining the directional spreading of ion motion as a function of energy loss. From this the mean projection of each pathlength element of the ion trajectory is derived which - upon summation or integration - leads to the desired mean projected range. In special cases, the calculation can be carried out analytically, otherwise a simple general algorithm is derived which is suitable even for the smallest programmable calculators. Necessary input for the present treatment consists only of generally accessable stopping power and straggling formulas. The procedure does not rely on scattering cross sections, e.g. power potential or f(t 1 sup(/) 2 ) approximations. The present approach lends itself easily to include electronic straggling or to treat composed target materials, or even to account for the so-called time integral. (orig.)

  20. A transfer-matrix method for spatially modulated structures

    International Nuclear Information System (INIS)

    Surda, A.

    1991-03-01

    A cluster transfer-matrix method convenient for calculation of spatially modulated structures of a wide class of lattice-gas models is developed. The method formulates the problem of calculation of the partition function in terms of non-linear mapping of effective multi-site fields. It is applied to a lattice-gas model qualitatively describing the system of oxygen atoms in the basal planes of high-temperature superconductors. The properties of an incommensurate structure occurring at intermediate temperatures are discussed in detail. (author). 21 refs, 15 figs