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Sample records for model partition functions

  1. Factorisations for partition functions of random Hermitian matrix models

    International Nuclear Information System (INIS)

    Jackson, D.M.; Visentin, T.I.

    1996-01-01

    The partition function Z N , for Hermitian-complex matrix models can be expressed as an explicit integral over R N , where N is a positive integer. Such an integral also occurs in connection with random surfaces and models of two dimensional quantum gravity. We show that Z N can be expressed as the product of two partition functions, evaluated at translated arguments, for another model, giving an explicit connection between the two models. We also give an alternative computation of the partition function for the φ 4 -model.The approach is an algebraic one and holds for the functions regarded as formal power series in the appropriate ring. (orig.)

  2. The SOS model partition function and the elliptic weight functions

    International Nuclear Information System (INIS)

    Pakuliak, S; Silantyev, A; Rubtsov, V

    2008-01-01

    We generalized a recent observation (Khoroshkin and Pakuliak 2005 Theor. Math. Phys. 145 1373) that the partition function of the six-vertex model with domain wall boundary conditions can be obtained from a calculation of projections of the product of total currents in the quantum affine algebra U q (sl 2 -hat) in its current realization. A generalization is done for the elliptic current algebra (Enriquez and Felder 1998 Commun. Math. Phys. 195 651, Enriquez and Rubtsov 1997 Ann. Sci. Ecole Norm. Sup. 30 821). The projections of the product of total currents in this case are calculated explicitly and are presented as integral transforms of a product of the total currents. It is proved that the integral kernel of this transform is proportional to the partition function of the SOS model with domain wall boundary conditions

  3. Zeros of the partition function for some generalized Ising models

    International Nuclear Information System (INIS)

    Dunlop, F.

    1981-01-01

    The author considers generalized Ising Models with two and four body interactions in a complex external field h such that Re h>=mod(Im h) + C, where C is an explicit function of the interaction parameters. The partition function Z(h) is then shown to satisfy mod(Z(h))>=Z(c), so that the pressure is analytic in h inside the given region. The method is applied to specific examples: the gauge invariant Ising Model, and the Widom Rowlinson model on the lattice. (Auth.)

  4. Colour-independent partition functions in coloured vertex models

    Energy Technology Data Exchange (ETDEWEB)

    Foda, O., E-mail: omar.foda@unimelb.edu.au [Dept. of Mathematics and Statistics, University of Melbourne, Parkville, VIC 3010 (Australia); Wheeler, M., E-mail: mwheeler@lpthe.jussieu.fr [Laboratoire de Physique Théorique et Hautes Energies, CNRS UMR 7589 (France); Université Pierre et Marie Curie – Paris 6, 4 place Jussieu, 75252 Paris cedex 05 (France)

    2013-06-11

    We study lattice configurations related to S{sub n}, the scalar product of an off-shell state and an on-shell state in rational A{sub n} integrable vertex models, n∈{1,2}. The lattice lines are colourless and oriented. The state variables are n conserved colours that flow along the line orientations, but do not necessarily cover every bond in the lattice. Choosing boundary conditions such that the positions where the colours flow into the lattice are fixed, and where they flow out are summed over, we show that the partition functions of these configurations, with these boundary conditions, are n-independent. Our results extend to trigonometric A{sub n} models, and to all n. This n-independence explains, in vertex-model terms, results from recent studies of S{sub 2} (Caetano and Vieira, 2012, [1], Wheeler, (arXiv:1204.2089), [2]). Namely, 1.S{sub 2}, which depends on two sets of Bethe roots, {b_1} and {b_2}, and cannot (as far as we know) be expressed in single determinant form, degenerates in the limit {b_1}→∞, and/or {b_2}→∞, into a product of determinants, 2. Each of the latter determinants is an A{sub 1} vertex-model partition function.

  5. Colour-independent partition functions in coloured vertex models

    International Nuclear Information System (INIS)

    Foda, O.; Wheeler, M.

    2013-01-01

    We study lattice configurations related to S n , the scalar product of an off-shell state and an on-shell state in rational A n integrable vertex models, n∈{1,2}. The lattice lines are colourless and oriented. The state variables are n conserved colours that flow along the line orientations, but do not necessarily cover every bond in the lattice. Choosing boundary conditions such that the positions where the colours flow into the lattice are fixed, and where they flow out are summed over, we show that the partition functions of these configurations, with these boundary conditions, are n-independent. Our results extend to trigonometric A n models, and to all n. This n-independence explains, in vertex-model terms, results from recent studies of S 2 (Caetano and Vieira, 2012, [1], Wheeler, (arXiv:1204.2089), [2]). Namely, 1.S 2 , which depends on two sets of Bethe roots, {b 1 } and {b 2 }, and cannot (as far as we know) be expressed in single determinant form, degenerates in the limit {b 1 }→∞, and/or {b 2 }→∞, into a product of determinants, 2. Each of the latter determinants is an A 1 vertex-model partition function

  6. Minimal models on Riemann surfaces: The partition functions

    International Nuclear Information System (INIS)

    Foda, O.

    1990-01-01

    The Coulomb gas representation of the A n series of c=1-6/[m(m+1)], m≥3, minimal models is extended to compact Riemann surfaces of genus g>1. An integral representation of the partition functions, for any m and g is obtained as the difference of two gaussian correlation functions of a background charge, (background charge on sphere) x (1-g), and screening charges integrated over the surface. The coupling constant x (compacitification radius) 2 of the gaussian expressions are, as on the torus, m(m+1), and m/(m+1). The partition functions obtained are modular invariant, have the correct conformal anomaly and - restricting the propagation of states to a single handle - one can verify explicitly the decoupling of the null states. On the other hand, they are given in terms of coupled surface integrals, and it remains to show how they degenerate consistently to those on lower-genus surfaces. In this work, this is clear only at the lattice level, where no screening charges appear. (orig.)

  7. Minimal models on Riemann surfaces: The partition functions

    Energy Technology Data Exchange (ETDEWEB)

    Foda, O. (Katholieke Univ. Nijmegen (Netherlands). Inst. voor Theoretische Fysica)

    1990-06-04

    The Coulomb gas representation of the A{sub n} series of c=1-6/(m(m+1)), m{ge}3, minimal models is extended to compact Riemann surfaces of genus g>1. An integral representation of the partition functions, for any m and g is obtained as the difference of two gaussian correlation functions of a background charge, (background charge on sphere) x (1-g), and screening charges integrated over the surface. The coupling constant x (compacitification radius){sup 2} of the gaussian expressions are, as on the torus, m(m+1), and m/(m+1). The partition functions obtained are modular invariant, have the correct conformal anomaly and - restricting the propagation of states to a single handle - one can verify explicitly the decoupling of the null states. On the other hand, they are given in terms of coupled surface integrals, and it remains to show how they degenerate consistently to those on lower-genus surfaces. In this work, this is clear only at the lattice level, where no screening charges appear. (orig.).

  8. Partition Function and Configurational Entropy in Non-Equilibrium States: A New Theoretical Model

    Directory of Open Access Journals (Sweden)

    Akira Takada

    2018-03-01

    Full Text Available A new model of non-equilibrium thermodynamic states has been investigated on the basis of the fact that all thermodynamic variables can be derived from partition functions. We have thus attempted to define partition functions for non-equilibrium conditions by introducing the concept of pseudo-temperature distributions. These pseudo-temperatures are configurational in origin and distinct from kinetic (phonon temperatures because they refer to the particular fragments of the system with specific energies. This definition allows thermodynamic states to be described either for equilibrium or non-equilibrium conditions. In addition; a new formulation of an extended canonical partition function; internal energy and entropy are derived from this new temperature definition. With this new model; computational experiments are performed on simple non-interacting systems to investigate cooling and two distinct relaxational effects in terms of the time profiles of the partition function; internal energy and configurational entropy.

  9. Partition function zeros of the one-dimensional Potts model: the recursive method

    International Nuclear Information System (INIS)

    Ghulghazaryan, R G; Ananikian, N S

    2003-01-01

    The Yang-Lee, Fisher and Potts zeros of the one-dimensional Q-state Potts model are studied using the theory of dynamical systems. An exact recurrence relation for the partition function is derived. It is shown that zeros of the partition function may be associated with neutral fixed points of the recurrence relation. Further, a general equation for zeros of the partition function is found and a classification of the Yang-Lee, Fisher and Potts zeros is given. It is shown that the Fisher zeros in a nonzero magnetic field are located on several lines in the complex temperature plane and that the number of these lines depends on the value of the magnetic field. Analytical expressions for the densities of the Yang-Lee, Fisher and Potts zeros are derived. It is shown that densities of all types of zeros of the partition function are singular at the edge singularity points with the same critical exponent

  10. 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.

  11. Generalised twisted partition functions

    CERN Document Server

    Petkova, V B

    2001-01-01

    We consider the set of partition functions that result from the insertion of twist operators compatible with conformal invariance in a given 2D Conformal Field Theory (CFT). A consistency equation, which gives a classification of twists, is written and solved in particular cases. This generalises old results on twisted torus boundary conditions, gives a physical interpretation of Ocneanu's algebraic construction, and might offer a new route to the study of properties of CFT.

  12. Hemisphere partition function and monodromy

    Energy Technology Data Exchange (ETDEWEB)

    Erkinger, David; Knapp, Johanna [Institute for Theoretical Physics, TU Wien,Wiedner Hauptstrasse 8-10, 1040 Vienna (Austria)

    2017-05-29

    We discuss D-brane monodromies from the point of view of the gauged linear sigma model. We give a prescription on how to extract monodromy matrices directly from the hemisphere partition function. We illustrate this procedure by recomputing the monodromy matrices associated to one-parameter Calabi-Yau hypersurfaces in weighted projected space.

  13. Domain wall partition function of the eight-vertex model with a non-diagonal reflecting end

    International Nuclear Information System (INIS)

    Yang Wenli; Chen Xi; Feng Jun; Hao Kun; Shi Kangjie; Sun Chengyi; Yang Zhanying; Zhang Yaozhong

    2011-01-01

    With the help of the Drinfeld twist or factorizing F-matrix for the eight-vertex SOS model, we derive the recursion relations of the partition function for the eight-vertex model with a generic non-diagonal reflecting end and domain wall boundary condition. Solving the recursion relations, we obtain the explicit determinant expression of the partition function. Our result shows that, contrary to the eight-vertex model without a reflecting end, the partition function can be expressed as a single determinant.

  14. Replica analysis of partition-function zeros in spin-glass models

    International Nuclear Information System (INIS)

    Takahashi, Kazutaka

    2011-01-01

    We study the partition-function zeros in mean-field spin-glass models. We show that the replica method is useful to find the locations of zeros in a complex parameter plane. For the random energy model, we obtain the phase diagram in the plane and find that there are two types of distributions of zeros: two-dimensional distribution within a phase and one-dimensional one on a phase boundary. Phases with a two-dimensional distribution are characterized by a novel order parameter defined in the present replica analysis. We also discuss possible patterns of distributions by studying several systems.

  15. Asymptotic expansion of a partition function related to the sinh-model

    CERN Document Server

    Borot, Gaëtan; Kozlowski, Karol K

    2016-01-01

    This book elaborates on the asymptotic behaviour, when N is large, of certain N-dimensional integrals which typically occur in random matrices, or in 1+1 dimensional quantum integrable models solvable by the quantum separation of variables. The introduction presents the underpinning motivations for this problem, a historical overview, and a summary of the strategy, which is applicable in greater generality. The core aims at proving an expansion up to o(1) for the logarithm of the partition function of the sinh-model. This is achieved by a combination of potential theory and large deviation theory so as to grasp the leading asymptotics described by an equilibrium measure, the Riemann-Hilbert approach to truncated Wiener-Hopf in order to analyse the equilibrium measure, the Schwinger-Dyson equations and the boostrap method to finally obtain an expansion of correlation functions and the one of the partition function. This book is addressed to researchers working in random matrices, statistical physics or integra...

  16. Spin glass: thermal properties and characterization of the ± J Sherrington-Kirkpatrick model partition function zeros

    International Nuclear Information System (INIS)

    Faria, A.C. de.

    1990-01-01

    A detailed study of the S-K model through the analysis of the zeros of the partition function in the complex temperature plane is performed. By the exact way, the notable thermodynamical properties of the system to a variety of the length (N=5→25 spins) are calculated, using only standards concepts (without the use of tricks like that of replicas). Dilute models had been also considered. The principal result of this work is the characterization of the zeros of the partition function of the S-K model. (author)

  17. Generalized partition function zeros of 1D spin models and their critical behavior at edge singularities

    International Nuclear Information System (INIS)

    Dalmazi, D; Sa, F L

    2010-01-01

    Here we study the partition function zeros of the one-dimensional Blume-Emery-Griffiths model close to their edge singularities. The model contains four couplings (H, J, Δ, K) including the magnetic field H and the Ising coupling J. We assume that only one of the three couplings (J, Δ, K) is complex and the magnetic field is real. The generalized zeros z i tend to form continuous curves on the complex z-plane in the thermodynamic limit. The linear density at the edges z E diverges usually with ρ(z) ∼ |z - z E | σ and σ = -1/2. However, as in the case of complex magnetic fields (Yang-Lee edge singularity), if we have a triple degeneracy of the transfer matrix eigenvalues a new critical behavior with σ = -2/3 can appear as we prove here explicitly for the cases where either Δ or K is complex. Our proof applies for a general three-state spin model with short-range interactions. The Fisher zeros (complex J) are more involved; in practice, we have not been able to find an explicit example with σ = -2/3 as far as the other couplings (H, Δ, K) are kept as real numbers. Our results are supported by numerical computations of zeros. We show that it is absolutely necessary to have a non-vanishing magnetic field for a new critical behavior. The appearance of σ = -2/3 at the edge closest to the positive real axis indicates its possible relevance for tricritical phenomena in higher-dimensional spin models.

  18. Domain wall partition functions and KP

    International Nuclear Information System (INIS)

    Foda, O; Wheeler, M; Zuparic, M

    2009-01-01

    We observe that the partition function of the six-vertex model on a finite square lattice with domain wall boundary conditions is (a restriction of) a KP τ function and express it as an expectation value of charged free fermions (up to an overall normalization)

  19. EXTENSION OF FORMULAS FOR PARTITION FUNCTIONS

    African Journals Online (AJOL)

    Ladan et al.

    2Department of Mathematics, Ahmadu Bello University, Zaria. ... 2 + 1 + 1. = 1 + 1 + 1 + 1. Partition function ( ). Andrew and Erikson (2004) stated that the ..... Andrews, G.E., 1984, The Theory of Partitions, Cambridge ... Pure Appl. Math.

  20. Topological string partition functions as polynomials

    International Nuclear Information System (INIS)

    Yamaguchi, Satoshi; Yau Shingtung

    2004-01-01

    We investigate the structure of the higher genus topological string amplitudes on the quintic hypersurface. It is shown that the partition functions of the higher genus than one can be expressed as polynomials of five generators. We also compute the explicit polynomial forms of the partition functions for genus 2, 3, and 4. Moreover, some coefficients are written down for all genus. (author)

  1. Partition functions for supersymmetric black holes

    NARCIS (Netherlands)

    Manschot, J.

    2008-01-01

    This thesis presents a number of results on partition functions for four-dimensional supersymmetric black holes. These partition functions are important tools to explain the entropy of black holes from a microscopic point of view. Such a microscopic explanation was desired after the association of a

  2. Compactified webs and domain wall partition functions

    Energy Technology Data Exchange (ETDEWEB)

    Shabbir, Khurram [Government College University, Department of Mathematics, Lahore (Pakistan)

    2017-04-15

    In this paper we use the topological vertex formalism to calculate a generalization of the ''domain wall'' partition function of M-strings. This generalization allows calculation of partition function of certain compactified webs using a simple gluing algorithm similar to M-strings case. (orig.)

  3. Off-diagonal series expansion for quantum partition functions

    Science.gov (United States)

    Hen, Itay

    2018-05-01

    We derive an integral-free thermodynamic perturbation series expansion for quantum partition functions which enables an analytical term-by-term calculation of the series. The expansion is carried out around the partition function of the classical component of the Hamiltonian with the expansion parameter being the strength of the off-diagonal, or quantum, portion. To demonstrate the usefulness of the technique we analytically compute to third order the partition functions of the 1D Ising model with longitudinal and transverse fields, and the quantum 1D Heisenberg model.

  4. Disk partition function and oscillatory rolling tachyons

    International Nuclear Information System (INIS)

    Jokela, Niko; Jaervinen, Matti; Keski-Vakkuri, Esko; Majumder, Jaydeep

    2008-01-01

    An exact cubic open string field theory rolling tachyon solution was recently found by Kiermaier et al and Schnabl. This oscillatory solution has been argued to be related by a field redefinition to the simple exponential rolling tachyon deformation of boundary conformal theory. In the latter approach, the disk partition function takes a simple form. Out of curiosity, we compute the disk partition function for an oscillatory tachyon profile, and find that the result is nevertheless almost the same

  5. Exact partition functions for gauge theories on Rλ3

    Directory of Open Access Journals (Sweden)

    Jean-Christophe Wallet

    2016-11-01

    Full Text Available The noncommutative space Rλ3, a deformation of R3, supports a 3-parameter family of gauge theory models with gauge-invariant harmonic term, stable vacuum and which are perturbatively finite to all orders. Properties of this family are discussed. The partition function factorizes as an infinite product of reduced partition functions, each one corresponding to the reduced gauge theory on one of the fuzzy spheres entering the decomposition of Rλ3. For a particular sub-family of gauge theories, each reduced partition function is exactly expressible as a ratio of determinants. A relation with integrable 2-D Toda lattice hierarchy is indicated.

  6. Complex zeros of the partition function of the Q-state Potts model

    International Nuclear Information System (INIS)

    Ghulghazaryan, R.G.

    2002-01-01

    Using the dynamical systems theory, the Yang-Lee and Potts zeros of the one-dimensional Q-state Potts model are investigated for Q>0. It is shown that in the one-dimensional case the phase transition points on the complex plane may be found from the condition of existence of neutral fixed points. Densities of the Yang-Lee and Potts zeros and corresponding critical exponents are found. The Yang-Lee and Potts zeros are classified depending on the parameters of the model

  7. Combinatorics and complexity of partition functions

    CERN Document Server

    Barvinok, Alexander

    2016-01-01

    Partition functions arise in combinatorics and related problems of statistical physics as they encode in a succinct way the combinatorial structure of complicated systems. The main focus of the book is on efficient ways to compute (approximate) various partition functions, such as permanents, hafnians and their higher-dimensional versions, graph and hypergraph matching polynomials, the independence polynomial of a graph and partition functions enumerating 0-1 and integer points in polyhedra, which allows one to make algorithmic advances in otherwise intractable problems. The book unifies various, often quite recent, results scattered in the literature, concentrating on the three main approaches: scaling, interpolation and correlation decay. The prerequisites include moderate amounts of real and complex analysis and linear algebra, making the book accessible to advanced math and physics undergraduates. .

  8. A partition function approximation using elementary symmetric functions.

    Directory of Open Access Journals (Sweden)

    Ramu Anandakrishnan

    Full Text Available In statistical mechanics, the canonical partition function [Formula: see text] can be used to compute equilibrium properties of a physical system. Calculating [Formula: see text] however, is in general computationally intractable, since the computation scales exponentially with the number of particles [Formula: see text] in the system. A commonly used method for approximating equilibrium properties, is the Monte Carlo (MC method. For some problems the MC method converges slowly, requiring a very large number of MC steps. For such problems the computational cost of the Monte Carlo method can be prohibitive. Presented here is a deterministic algorithm - the direct interaction algorithm (DIA - for approximating the canonical partition function [Formula: see text] in [Formula: see text] operations. The DIA approximates the partition function as a combinatorial sum of products known as elementary symmetric functions (ESFs, which can be computed in [Formula: see text] operations. The DIA was used to compute equilibrium properties for the isotropic 2D Ising model, and the accuracy of the DIA was compared to that of the basic Metropolis Monte Carlo method. Our results show that the DIA may be a practical alternative for some problems where the Monte Carlo method converge slowly, and computational speed is a critical constraint, such as for very large systems or web-based applications.

  9. A statistical mechanical approach to restricted integer partition functions

    Science.gov (United States)

    Zhou, Chi-Chun; Dai, Wu-Sheng

    2018-05-01

    The main aim of this paper is twofold: (1) suggesting a statistical mechanical approach to the calculation of the generating function of restricted integer partition functions which count the number of partitions—a way of writing an integer as a sum of other integers under certain restrictions. In this approach, the generating function of restricted integer partition functions is constructed from the canonical partition functions of various quantum gases. (2) Introducing a new type of restricted integer partition functions corresponding to general statistics which is a generalization of Gentile statistics in statistical mechanics; many kinds of restricted integer partition functions are special cases of this restricted integer partition function. Moreover, with statistical mechanics as a bridge, we reveal a mathematical fact: the generating function of restricted integer partition function is just the symmetric function which is a class of functions being invariant under the action of permutation groups. Using this approach, we provide some expressions of restricted integer partition functions as examples.

  10. A tree-decomposed transfer matrix for computing exact Potts model partition functions for arbitrary graphs, with applications to planar graph colourings

    International Nuclear Information System (INIS)

    Bedini, Andrea; Jacobsen, Jesper Lykke

    2010-01-01

    Combining tree decomposition and transfer matrix techniques provides a very general algorithm for computing exact partition functions of statistical models defined on arbitrary graphs. The algorithm is particularly efficient in the case of planar graphs. We illustrate it by computing the Potts model partition functions and chromatic polynomials (the number of proper vertex colourings using Q colours) for large samples of random planar graphs with up to N = 100 vertices. In the latter case, our algorithm yields a sub-exponential average running time of ∼ exp(1.516√N), a substantial improvement over the exponential running time ∼exp (0.245N) provided by the hitherto best-known algorithm. We study the statistics of chromatic roots of random planar graphs in some detail, comparing the findings with results for finite pieces of a regular lattice.

  11. Dual little strings and their partition functions

    Science.gov (United States)

    Bastian, Brice; Hohenegger, Stefan; Iqbal, Amer; Rey, Soo-Jong

    2018-05-01

    We study the topological string partition function of a class of toric, double elliptically fibered Calabi-Yau threefolds XN ,M at a generic point in the Kähler moduli space. These manifolds engineer little string theories in five dimensions or lower and are dual to stacks of M5-branes probing a transverse orbifold singularity. Using the refined topological vertex formalism, we explicitly calculate a generic building block which allows us to compute the topological string partition function of XN ,M as a series expansion in different Kähler parameters. Using this result, we give further explicit proof for a duality found previously in the literature, which relates XN ,M˜XN',M' for N M =N'M' and gcd (N ,M )=gcd (N',M') .

  12. Rotational partition functions for linear molecules

    International Nuclear Information System (INIS)

    McDowell, R.S.

    1988-01-01

    An accurate closed-form expression for the rotational partition function of linear polyatomic molecules in 1 summation electronic states is derived, including the effect of nuclear spin (significant at very low temperatures) and of quartic and sextic centrifugal distortion terms (significant at moderate and high temperatures). The proper first-order quantum correction to the classical rigid-rotator partition function is shown to yield Q/sub r/ ≅β -1 exp(β/3), where βequivalenthcB/kT and B is the rotational constant in cm -1 ; for β≥0.2 additional power-series terms in β are necessary. Comparison between the results of this treatment and exact summations are made for HCN and C 2 H 2 at temperatures from 2 to 5000 K, including separate evaluation of the contributions of nuclear spin and centrifugal distortion

  13. Approximation methods for the partition functions of anharmonic systems

    International Nuclear Information System (INIS)

    Lew, P.; Ishida, T.

    1979-07-01

    The analytical approximations for the classical, quantum mechanical and reduced partition functions of the diatomic molecule oscillating internally under the influence of the Morse potential have been derived and their convergences have been tested numerically. This successful analytical method is used in the treatment of anharmonic systems. Using Schwinger perturbation method in the framework of second quantization formulism, the reduced partition function of polyatomic systems can be put into an expression which consists separately of contributions from the harmonic terms, Morse potential correction terms and interaction terms due to the off-diagonal potential coefficients. The calculated results of the reduced partition function from the approximation method on the 2-D and 3-D model systems agree well with the numerical exact calculations

  14. Two-loop superstring partition function

    International Nuclear Information System (INIS)

    Morozov, A.Y.

    1988-01-01

    Is it possible to choose the odd moduli on super-Riemann surfaces of genus p≥2 in such a way that the corresponding contributions to the superstring partition function vanish before the integration over the space of the moduli? It is shown that, at least for p = 2, the answer to this question is affirmative, and in this case the odd moduli should be localized at branch points

  15. Calculation of site affinity constants and cooperativity coefficients for binding of ligands and/or protons to macromolecules. II. Relationships between chemical model and partition function algorithm.

    Science.gov (United States)

    Fisicaro, E; Braibanti, A; Lamb, J D; Oscarson, J L

    1990-05-01

    The relationships between the chemical properties of a system and the partition function algorithm as applied to the description of multiple equilibria in solution are explained. The partition functions ZM, ZA, and ZH are obtained from powers of the binary generating functions Jj = (1 + kappa j gamma j,i[Y])i tau j, where i tau j = p tau j, q tau j, or r tau j represent the maximum number of sites in sites in class j, for Y = M, A, or H, respectively. Each term of the generating function can be considered an element (ij) of a vector Jj and each power of the cooperativity factor gamma ij,i can be considered an element of a diagonal cooperativity matrix gamma j. The vectors Jj are combined in tensor product matrices L tau = (J1) [J2]...[Jj]..., thus representing different receptor-ligand combinations. The partition functions are obtained by summing elements of the tensor matrices. The relationship of the partition functions with the total chemical amounts TM, TA, and TH has been found. The aim is to describe the total chemical amounts TM, TA, and TH as functions of the site affinity constants kappa j and cooperativity coefficients bj. The total amounts are calculated from the sum of elements of tensor matrices Ll. Each set of indices (pj..., qj..., rj...) represents one element of a tensor matrix L tau and defines each term of the summation. Each term corresponds to the concentration of a chemical microspecies. The distinction between microspecies MpjAqjHrj with ligands bound on specific sites and macrospecies MpAqHR corresponding to a chemical stoichiometric composition is shown. The translation of the properties of chemical model schemes into the algorithms for the generation of partition functions is illustrated with reference to a series of examples of gradually increasing complexity. The equilibria examined concern: (1) a unique class of sites; (2) the protonation of a base with two classes of sites; (3) the simultaneous binding of ligand A and proton H to a

  16. Superfluid Kubo formulas from partition function

    International Nuclear Information System (INIS)

    Chapman, Shira; Hoyos, Carlos; Oz, Yaron

    2014-01-01

    Linear response theory relates hydrodynamic transport coefficients to equilibrium retarded correlation functions of the stress-energy tensor and global symmetry currents in terms of Kubo formulas. Some of these transport coefficients are non-dissipative and affect the fluid dynamics at equilibrium. We present an algebraic framework for deriving Kubo formulas for such thermal transport coefficients by using the equilibrium partition function. We use the framework to derive Kubo formulas for all such transport coefficients of superfluids, as well as to rederive Kubo formulas for various normal fluid systems

  17. Marginal Consistency: Upper-Bounding Partition Functions over Commutative Semirings.

    Science.gov (United States)

    Werner, Tomás

    2015-07-01

    Many inference tasks in pattern recognition and artificial intelligence lead to partition functions in which addition and multiplication are abstract binary operations forming a commutative semiring. By generalizing max-sum diffusion (one of convergent message passing algorithms for approximate MAP inference in graphical models), we propose an iterative algorithm to upper bound such partition functions over commutative semirings. The iteration of the algorithm is remarkably simple: change any two factors of the partition function such that their product remains the same and their overlapping marginals become equal. In many commutative semirings, repeating this iteration for different pairs of factors converges to a fixed point when the overlapping marginals of every pair of factors coincide. We call this state marginal consistency. During that, an upper bound on the partition function monotonically decreases. This abstract algorithm unifies several existing algorithms, including max-sum diffusion and basic constraint propagation (or local consistency) algorithms in constraint programming. We further construct a hierarchy of marginal consistencies of increasingly higher levels and show than any such level can be enforced by adding identity factors of higher arity (order). Finally, we discuss instances of the framework for several semirings, including the distributive lattice and the max-sum and sum-product semirings.

  18. Analytical model for macromolecular partitioning during yeast cell division

    International Nuclear Information System (INIS)

    Kinkhabwala, Ali; Khmelinskii, Anton; Knop, Michael

    2014-01-01

    Asymmetric cell division, whereby a parent cell generates two sibling cells with unequal content and thereby distinct fates, is central to cell differentiation, organism development and ageing. Unequal partitioning of the macromolecular content of the parent cell — which includes proteins, DNA, RNA, large proteinaceous assemblies and organelles — can be achieved by both passive (e.g. diffusion, localized retention sites) and active (e.g. motor-driven transport) processes operating in the presence of external polarity cues, internal asymmetries, spontaneous symmetry breaking, or stochastic effects. However, the quantitative contribution of different processes to the partitioning of macromolecular content is difficult to evaluate. Here we developed an analytical model that allows rapid quantitative assessment of partitioning as a function of various parameters in the budding yeast Saccharomyces cerevisiae. This model exposes quantitative degeneracies among the physical parameters that govern macromolecular partitioning, and reveals regions of the solution space where diffusion is sufficient to drive asymmetric partitioning and regions where asymmetric partitioning can only be achieved through additional processes such as motor-driven transport. Application of the model to different macromolecular assemblies suggests that partitioning of protein aggregates and episomes, but not prions, is diffusion-limited in yeast, consistent with previous reports. In contrast to computationally intensive stochastic simulations of particular scenarios, our analytical model provides an efficient and comprehensive overview of partitioning as a function of global and macromolecule-specific parameters. Identification of quantitative degeneracies among these parameters highlights the importance of their careful measurement for a given macromolecular species in order to understand the dominant processes responsible for its observed partitioning

  19. Partition function for a singular background

    International Nuclear Information System (INIS)

    McKenzie-Smith, J.J.; Naylor, W.

    2005-01-01

    We present a method for evaluating the partition function in a varying external field. Specifically, we look at the case of a non-interacting, charged, massive scalar field at finite temperature with an associated chemical potential in the background of a delta-function potential. Whilst we present a general method, valid at all temperatures, we only give the result for the leading order term in the high temperature limit. Although the derivative expansion breaks down for inhomogeneous backgrounds we are able to obtain the high temperature expansion, as well as an analytic expression for the zero point energy, by way of a different approximation scheme, which we call the local Born approximation (LBA)

  20. Partition function for a singular background

    Energy Technology Data Exchange (ETDEWEB)

    McKenzie-Smith, J.J. [Financial Risk Management Ltd, 15 Adam Street, London WC2N 6AH (United Kingdom)]. E-mail: julian.mckenzie-smith@frmhedge.com; Naylor, W. [Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan)]. E-mail: naylor@yukawa.kyoto-u.ac.jp

    2005-03-17

    We present a method for evaluating the partition function in a varying external field. Specifically, we look at the case of a non-interacting, charged, massive scalar field at finite temperature with an associated chemical potential in the background of a delta-function potential. Whilst we present a general method, valid at all temperatures, we only give the result for the leading order term in the high temperature limit. Although the derivative expansion breaks down for inhomogeneous backgrounds we are able to obtain the high temperature expansion, as well as an analytic expression for the zero point energy, by way of a different approximation scheme, which we call the local Born approximation (LBA)

  1. Exact low-temperature series expansion for the partition function of the zero-field Ising model on the infinite square lattice

    Science.gov (United States)

    Siudem, Grzegorz; Fronczak, Agata; Fronczak, Piotr

    2016-01-01

    In this paper, we provide the exact expression for the coefficients in the low-temperature series expansion of the partition function of the two-dimensional Ising model on the infinite square lattice. This is equivalent to exact determination of the number of spin configurations at a given energy. With these coefficients, we show that the ferromagnetic–to–paramagnetic phase transition in the square lattice Ising model can be explained through equivalence between the model and the perfect gas of energy clusters model, in which the passage through the critical point is related to the complete change in the thermodynamic preferences on the size of clusters. The combinatorial approach reported in this article is very general and can be easily applied to other lattice models. PMID:27721435

  2. Improved models for the prediction of activity coefficients in nearly athermal mixtures .2. A theoretically-based G(E)-model based on the van der Waals partition function

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios; Georgios, Nikolopoulos; Fredenslund, Aage

    1997-01-01

    of the generalized van der Waals partition function and attempts to account for all non-energetic effects of solutions of both short- and long-chain alkanes, including alkane polymers. Both the free-volume effects and the density-dependent rotational degrees of freedom are considered. The resulting G(E)-model which......, despite its derivation from a partition function resembles the Flory-Huggins formula, is suitable for vapor-liquid and solid-liquid equilibrium calculations for nearly athermal polymer solutions as well as for alkane systems. We show that using plausible assumptions for the free-volume and the external...

  3. Consistent Estimation of Partition Markov Models

    Directory of Open Access Journals (Sweden)

    Jesús E. García

    2017-04-01

    Full Text Available The Partition Markov Model characterizes the process by a partition L of the state space, where the elements in each part of L share the same transition probability to an arbitrary element in the alphabet. This model aims to answer the following questions: what is the minimal number of parameters needed to specify a Markov chain and how to estimate these parameters. In order to answer these questions, we build a consistent strategy for model selection which consist of: giving a size n realization of the process, finding a model within the Partition Markov class, with a minimal number of parts to represent the process law. From the strategy, we derive a measure that establishes a metric in the state space. In addition, we show that if the law of the process is Markovian, then, eventually, when n goes to infinity, L will be retrieved. We show an application to model internet navigation patterns.

  4. Many-body formalism for fermions: The partition function

    Science.gov (United States)

    Watson, D. K.

    2017-09-01

    The partition function, a fundamental tenet in statistical thermodynamics, contains in principle all thermodynamic information about a system. It encapsulates both microscopic information through the quantum energy levels and statistical information from the partitioning of the particles among the available energy levels. For identical particles, this statistical accounting is complicated by the symmetry requirements of the allowed quantum states. In particular, for Fermi systems, the enforcement of the Pauli principle is typically a numerically demanding task, responsible for much of the cost of the calculations. The interplay of these three elements—the structure of the many-body spectrum, the statistical partitioning of the N particles among the available levels, and the enforcement of the Pauli principle—drives the behavior of mesoscopic and macroscopic Fermi systems. In this paper, we develop an approach for the determination of the partition function, a numerically difficult task, for systems of strongly interacting identical fermions and apply it to a model system of harmonically confined, harmonically interacting fermions. This approach uses a recently introduced many-body method that is an extension of the symmetry-invariant perturbation method (SPT) originally developed for bosons. It uses group theory and graphical techniques to avoid the heavy computational demands of conventional many-body methods which typically scale exponentially with the number of particles. The SPT application of the Pauli principle is trivial to implement since it is done "on paper" by imposing restrictions on the normal-mode quantum numbers at first order in the perturbation. The method is applied through first order and represents an extension of the SPT method to excited states. Our method of determining the partition function and various thermodynamic quantities is accurate and efficient and has the potential to yield interesting insight into the role played by the Pauli

  5. The position value for partition function form network games

    NARCIS (Netherlands)

    Nouweland, van den C.G.A.M.; Slikker, M.

    We use the axiomatization of the position value for network situations in van den Nouweland and Slikker (2012) to define a position value for partition function form network situations. We do this by generalizing the axioms to the partition function form value function setting as studied in Navarro

  6. Commuting quantum circuits and complexity of Ising partition functions

    International Nuclear Information System (INIS)

    Fujii, Keisuke; Morimae, Tomoyuki

    2017-01-01

    Instantaneous quantum polynomial-time (IQP) computation is a class of quantum computation consisting only of commuting two-qubit gates and is not universal. Nevertheless, it has been shown that if there is a classical algorithm that can simulate IQP efficiently, the polynomial hierarchy collapses to the third level, which is highly implausible. However, the origin of the classical intractability is still less understood. Here we establish a relationship between IQP and computational complexity of calculating the imaginary-valued partition functions of Ising models. We apply the established relationship in two opposite directions. One direction is to find subclasses of IQP that are classically efficiently simulatable by using exact solvability of certain types of Ising models. Another direction is applying quantum computational complexity of IQP to investigate (im)possibility of efficient classical approximations of Ising partition functions with imaginary coupling constants. Specifically, we show that a multiplicative approximation of Ising partition functions is #P-hard for almost all imaginary coupling constants even on planar lattices of a bounded degree. (paper)

  7. A Discrete Dynamical Model of Signed Partitions

    Directory of Open Access Journals (Sweden)

    G. Chiaselotti

    2013-01-01

    Full Text Available We use a discrete dynamical model with three evolution rules in order to analyze the structure of a partially ordered set of signed integer partitions whose main properties are actually not known. This model is related to the study of some extremal combinatorial sum problems.

  8. Finite volume gauge theory partition functions in three dimensions

    International Nuclear Information System (INIS)

    Szabo, Richard J.

    2005-01-01

    We determine the fermion mass dependence of Euclidean finite volume partition functions for three-dimensional QCD in the ε-regime directly from the effective field theory of the pseudo-Goldstone modes by using zero-dimensional non-linear σ-models. New results are given for an arbitrary number of flavours in all three cases of complex, pseudo-real and real fermions, extending some previous considerations based on random matrix theory. They are used to describe the microscopic spectral correlation functions and smallest eigenvalue distributions of the QCD 3 Dirac operator, as well as the corresponding massive spectral sum rules

  9. Partitioning of Nanoparticles into Organic Phases and Model Cells

    Energy Technology Data Exchange (ETDEWEB)

    Posner, J.D.; Westerhoff, P.; Hou, W-C.

    2011-08-25

    dissolved substances" or "more like colloids" as the division between behaviors of macromolecules versus colloids remains ill-defined. Below we detail our work on two broadly defined objectives: (i) Partitioning of ENP into octanol, lipid bilayer, and water, and (ii) disruption of lipid bilayers by ENPs. We have found that the partitioning of NP reaches pseudo-equilibrium distributions between water and organic phases. The equilibrium partitioning most strongly depends on the particle surface charge, which leads us to the conclusion that electrostatic interactions are critical to understanding the fate of NP in the environment. We also show that the kinetic rate at which particle partition is a function of their size (small particles partition faster by number) as can be predicted from simple DLVO models. We have found that particle number density is the most effective dosimetry to present our results and provide quantitative comparison across experiments and experimental platforms. Cumulatively, our work shows that lipid bilayers are a more effective organic phase than octanol because of the definable surface area and ease of interpretation of the results. Our early comparison of NP partitioning between water and lipids suggest that this measurement can be predictive of bioaccumulation in aquatic organisms. We have shown that nanoparticle disrupt lipid bilayer membranes and detail how NP-bilayer interaction leads to the malfunction of lipid bilayers in regulating the fluxes of ionic charges and molecules. Our results show that the disruption of the lipid membranes is similar to that of toxin melittin, except single particles can disrupt a bilayer. We show that only a single particle is required to disrupt a 150 nm DOPC liposome. The equilibrium leakage of membranes is a function of the particle number density and particle surface charge, consistent with results from our partitioning experiments. Our disruption experiments with varying surface functionality show that

  10. Random trees between two walls: exact partition function

    International Nuclear Information System (INIS)

    Bouttier, J; Di Francesco, P; Guitter, E

    2003-01-01

    We derive the exact partition function for a discrete model of random trees embedded in a one-dimensional space. These trees have vertices labelled by integers representing their position in the target space, with the solid-on-solid constraint that adjacent vertices have labels differing by ±1. A non-trivial partition function is obtained whenever the target space is bounded by walls. We concentrate on the two cases where the target space is (i) the half-line bounded by a wall at the origin or (ii) a segment bounded by two walls at a finite distance. The general solution has a soliton-like structure involving elliptic functions. We derive the corresponding continuum scaling limit which takes the remarkable form of the Weierstrass p function with constrained periods. These results are used to analyse the probability for an evolving population spreading in one dimension to attain the boundary of a given domain with the geometry of the target (i) or (ii). They also translate, via suitable bijections, into generating functions for bounded planar graphs

  11. Finiteness of Lorentzian 10j symbols and partition functions

    International Nuclear Information System (INIS)

    Christensen, J Daniel

    2006-01-01

    We give a short and simple proof that the Lorentzian 10j symbol, which forms a key part of the Barrett-Crane model of Lorentzian quantum gravity, is finite. The argument is very general, and applies to other integrals. For example, we show that the Lorentzian and Riemannian causal 10j symbols are finite, despite their singularities. Moreover, we show that integrals that arise in Cherrington's work are finite. Cherrington has shown that this implies that the Lorentzian partition function for a single triangulation is finite, even for degenerate triangulations. Finally, we also show how to use these methods to prove finiteness of integrals based on other graphs and other homogeneous domains

  12. Dominant partition method. [based on a wave function formalism

    Science.gov (United States)

    Dixon, R. M.; Redish, E. F.

    1979-01-01

    By use of the L'Huillier, Redish, and Tandy (LRT) wave function formalism, a partially connected method, the dominant partition method (DPM) is developed for obtaining few body reductions of the many body problem in the LRT and Bencze, Redish, and Sloan (BRS) formalisms. The DPM maps the many body problem to a fewer body one by using the criterion that the truncated formalism must be such that consistency with the full Schroedinger equation is preserved. The DPM is based on a class of new forms for the irreducible cluster potential, which is introduced in the LRT formalism. Connectivity is maintained with respect to all partitions containing a given partition, which is referred to as the dominant partition. Degrees of freedom corresponding to the breakup of one or more of the clusters of the dominant partition are treated in a disconnected manner. This approach for simplifying the complicated BRS equations is appropriate for physical problems where a few body reaction mechanism prevails.

  13. Modular invariant partition functions for toroidally compactified bosonic string

    International Nuclear Information System (INIS)

    Ardalan, F.; Arfaei, H.

    1988-06-01

    We systematically find all the modular invariant partition functions for the toroidally compactified closed bosonic string defined on a subset of a simply laced simple Lie algebra lattice, or equivalently for the closed bosonic string moving on a group manifold with the WZW coefficient k=1. We examine the relation between modular invariance of partition function and the possibility of describing it by an even Lorentzian self dual lattice in our context. (author). 23 refs

  14. The complex formation-partition and partition-association models of solvent extraction of ions

    International Nuclear Information System (INIS)

    Siekierski, S.

    1976-01-01

    Two models of the extraction process have been proposed. In the first model it is assumed that the partitioning neutral species is at first formed in the aqueous phase and then transferred into the organic phase. The second model is based on the assumption that equivalent amounts of cations are at first transferred from the aqueous into the organic phase and then associated to form a neutral molecule. The role of the solubility parameter in extraction and the relation between the solubility of liquid organic substances in water and the partition of complexes have been discussed. The extraction of simple complexes and complexes with organic ligands has been discussed using the first model. Partition coefficients have been calculated theoretically and compared with experimental values in some very simple cases. The extraction of ion pairs has been discussed using the partition-association model and the concept of single-ion partition coefficients. (author)

  15. Modeling response of species to microcontaminants: comparative ecotoxicology by (sub)lethal body burdens as a function of species size and partition ratio of chemicals.

    Science.gov (United States)

    Hendriks, A J

    1995-11-01

    A model was designed and calibrated with accumulation data to calculate the internal concentrations of microcontaminants in organisms as a function of a few constants and variables. The main factors are the exposure time, the external exposure concentration, the partition ratio of the compound, and the size of the taxon concerned. The model was applied to calculate the lethal and sublethal body burdens of several priority compounds and some major taxa. Estimations were generally confirmed at the order of magnitude level by measured residues and applied doses if available. According to the estimations, most priority compounds chosen were critical for most taxa above internal concentrations of 0.1 mmol.kg-1 wet wt. Trichloromethane, 1,2,4-trichlorobenzene, and hexachlorobenzene were lethal above this level only, whereas other organic microcontaminants affected at least some taxa at lower body burdens. The log(Kow) of the organic compounds ranged from 2.0 to 7.0. Keeping in mind that bioconcentration and -magnification ratios for metals may be quite variable, the lowest critical residues estimated were just below the value of 0.1 mmol.kg-1 wet wt. Here, external concentrations encountered in natural habitats seem to be a promising tool for predictive comparative ecotoxicology. The critical body burdens for plants and invertebrates may have been overestimated due to uncertainty about the parameters. Among the different taxa, however, the fish families chosen (Salmonidae and Cyprinidae) seem to be most sensitive to most compounds. Internal response concentrations of the herbicide atrazine were the lowest in micro- and macrophytes, whereas parathion affected invertebrates at low levels. The database that provided the external response concentrations was also consulted to estimate so-called extrapolation or safety factors. On average, long-term no effect concentrations in water are estimated to be about 10-30 times below short-term median lethal levels. In general, short

  16. Estimating the Partition Function Zeros by Using the Wang-Landau Monte Carlo Algorithm

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Seung-Yeon [Korea National University of Transportation, Chungju (Korea, Republic of)

    2017-03-15

    The concept of the partition function zeros is one of the most efficient methods for investigating the phase transitions and the critical phenomena in various physical systems. Estimating the partition function zeros requires information on the density of states Ω(E) as a function of the energy E. Currently, the Wang-Landau Monte Carlo algorithm is one of the best methods for calculating Ω(E). The partition function zeros in the complex temperature plane of the Ising model on an L × L square lattice (L = 10 ∼ 80) with a periodic boundary condition have been estimated by using the Wang-Landau Monte Carlo algorithm. The efficiency of the Wang-Landau Monte Carlo algorithm and the accuracies of the partition function zeros have been evaluated for three different, 5%, 10%, and 20%, flatness criteria for the histogram H(E).

  17. A brief history of partitions of numbers, partition functions and their modern applications

    Science.gov (United States)

    Debnath, Lokenath

    2016-04-01

    'Number rules the universe.' The Pythagoras 'If you wish to forsee the future of mathematics our course is to study the history and present conditions of the science.' Henri Poincaré 'The primary source (Urqell) of all mathematics are integers.' Hermann Minkowski This paper is written to commemorate the centennial anniversary of the Mathematical Association of America. It deals with a short history of different kinds of natural numbers including triangular, square, pentagonal, hexagonal and k-gonal numbers, and their simple properties and their geometrical representations. Included are Euclid's and Pythagorean's main contributions to elementary number theory with the main contents of the Euclid Elements of the 13-volume masterpiece of mathematical work. This is followed by Euler's new discovery of the additive number theory based on partitions of numbers. Special attention is given to many examples, Euler's theorems on partitions of numbers with geometrical representations of Ferrers' graphs, Young's diagrams, Lagrange's four-square theorem and the celebrated Waring problem. Included are Euler's generating functions for the partitions of numbers, Euler's pentagonal number theorem, Gauss' triangular and square number theorems and the Jacobi triple product identity. Applications of the theory of partitions of numbers to different statistics such as the Bose- Einstein, Fermi- Dirac, Gentile, and Maxwell- Boltzmann statistics are briefly discussed. Special attention is given to pedagogical information through historical approach to number theory so that students and teachers at the school, college and university levels can become familiar with the basic concepts of partitions of numbers, partition functions and their modern applications, and can pursue advanced study and research in analytical and computational number theory.

  18. Pure spinor partition function and the massive superstring spectrum

    International Nuclear Information System (INIS)

    Aisaka, Yuri; Arroyo, E. Aldo; Berkovits, Nathan; Nekrasov, Nikita

    2008-01-01

    We explicitly compute up to the fifth mass-level the partition function of ten-dimensional pure spinor worldsheet variables including the spin dependence. After adding the contribution from the (x μ , θ α , p α ) matter variables, we reproduce the massive superstring spectrum. Even though pure spinor variables are bosonic, the pure spinor partition function contains fermionic states which first appear at the second mass-level. These fermionic states come from functions which are not globally defined in pure spinor space, and are related to the b ghost in the pure spinor formalism. This result clarifies the proper definition of the Hilbert space for pure spinor variables.

  19. Aspects of system modelling in Hardware/Software partitioning

    DEFF Research Database (Denmark)

    Knudsen, Peter Voigt; Madsen, Jan

    1996-01-01

    This paper addresses fundamental aspects of system modelling and partitioning algorithms in the area of Hardware/Software Codesign. Three basic system models for partitioning are presented and the consequences of partitioning according to each of these are analyzed. The analysis shows...... the importance of making a clear distinction between the model used for partitioning and the model used for evaluation It also illustrates the importance of having a realistic hardware model such that hardware sharing can be taken into account. Finally, the importance of integrating scheduling and allocation...

  20. Genus two partition functions of extremal conformal field theories

    International Nuclear Information System (INIS)

    Gaiotto, Davide; Yin Xi

    2007-01-01

    Recently Witten conjectured the existence of a family of 'extremal' conformal field theories (ECFTs) of central charge c = 24k, which are supposed to be dual to three-dimensional pure quantum gravity in AdS 3 . Assuming their existence, we determine explicitly the genus two partition functions of k = 2 and k = 3 ECFTs, using modular invariance and the behavior of the partition function in degenerating limits of the Riemann surface. The result passes highly nontrivial tests and in particular provides a piece of evidence for the existence of the k = 3 ECFT. We also argue that the genus two partition function of ECFTs with k ≤ 10 are uniquely fixed (if they exist)

  1. Linearization of non-commuting operators in the partition function

    International Nuclear Information System (INIS)

    Ahmed, M.

    1983-06-01

    A generalization of the Stratonovich-Hubbard scheme for evaluating the grand canonical partition function is given. The scheme involves linearization of products of non-commuting operators using the functional integral method. The non-commutivity of the operators leads to an additional term which can be absorbed in the single-particle Hamiltonian. (author)

  2. The partition function of an interacting many body system

    International Nuclear Information System (INIS)

    Rummel, C.; Ankerhold, J.

    2002-01-01

    Based on the path integral approach the partition function of a many body system with separable two body interaction is calculated in the sense of a semiclassical approximation. The commonly used Gaussian type of approximation, known as the perturbed static path approximation (PSPA), breaks down near a crossover temperature due to instabilities of the classical mean field solution. It is shown how the PSPA is systematically improved within the crossover region by taking into account large non-Gaussian fluctuation and an approximation applicable down to very low temperatures is carried out. These findings are tested against exact results for the archetypical cases of a particle moving in a one dimensional double well and the exactly solvable Lipkin-Meshkov-Glick model. The extensions should have applications in finite systems at low temperatures as in nuclear physics and mesoscopic systems, e. g. for gap fluctuations in nano-scale superconducting devices previously studied within a PSPA type of approximation. (author)

  3. One-loop partition functions of 3D gravity

    International Nuclear Information System (INIS)

    Giombi, Simone; Yin Xi; Maloney, Alexander

    2008-01-01

    We consider the one-loop partition function of free quantum field theory in locally Anti-de Sitter space-times. In three dimensions, the one loop determinants for scalar, gauge and graviton excitations are computed explicitly using heat kernel techniques. We obtain precisely the result anticipated by Brown and Henneaux: the partition function includes a sum over 'boundary excitations' of AdS 3 , which are the Virasoro descendants of empty Anti-de Sitter space. This result also allows us to compute the one-loop corrections to the Euclidean action of the BTZ black hole as well its higher genus generalizations.

  4. Further Stable methods for the calculation of partition functions

    International Nuclear Information System (INIS)

    Wilson, B G; Gilleron, F; Pain, J

    2007-01-01

    The extension to recursion over holes of the Gilleron and Pain method for calculating partition functions of a canonical ensemble of non-interacting bound electrons is presented as well as a generalization for the efficient computation of collisional line broadening

  5. Zeta Function Expression of Spin Partition Functions on Thermal AdS3

    Directory of Open Access Journals (Sweden)

    Floyd L.Williams

    2015-07-01

    Full Text Available We find a Selberg zeta function expression of certain one-loop spin partition functions on three-dimensional thermal anti-de Sitter space. Of particular interest is the partition function of higher spin fermionic particles. We also set up, in the presence of spin, a Patterson-type formula involving the logarithmic derivative of zeta.

  6. Dynamic State Space Partitioning for External Memory Model Checking

    DEFF Research Database (Denmark)

    Evangelista, Sami; Kristensen, Lars Michael

    2009-01-01

    We describe a dynamic partitioning scheme usable by model checking techniques that divide the state space into partitions, such as most external memory and distributed model checking algorithms. The goal of the scheme is to reduce the number of transitions that link states belonging to different...

  7. Multiphase flow modeling in centrifugal partition chromatography.

    Science.gov (United States)

    Adelmann, S; Schwienheer, C; Schembecker, G

    2011-09-09

    The separation efficiency in Centrifugal Partition Chromatography (CPC) depends on selection of a suitable biphasic solvent system (distribution ratio, selectivity factor, sample solubility) and is influenced by hydrodynamics in the chambers. Especially the stationary phase retention, the interfacial area for mass transfer and the flow pattern (backmixing) are important parameters. Their relationship with physical properties, operating parameters and chamber geometry is not completely understood and predictions are hardly possible. Experimental flow visualization is expensive and two-dimensional only. Therefore we simulated the flow pattern using a volume-of-fluid (VOF) method, which was implemented in OpenFOAM®. For the three-dimensional simulation of a rotating FCPC®-chamber, gravitational centrifugal and Coriolis forces were added to the conservation equation. For experimental validation the flow pattern of different solvent systems was visualized with an optical measurement system. The amount of mobile phase in a chamber was calculated from gray scale values of videos recorded by an image processing routine in ImageJ®. To visualize the flow of the stationary phase polyethylene particles were used to perform a qualitative particle image velocimetry (PIV) analysis. We found a good agreement between flow patterns and velocity profiles of experiments and simulations. By using the model we found that increasing the chamber depth leads to higher specific interfacial area. Additionally a circular flow in the stationary phase was identified that lowers the interfacial area because it pushes the jet of mobile phase to the chamber wall. The Coriolis force alone gives the impulse for this behavior. As a result the model is easier to handle than experiments and allows 3D prediction of hydrodynamics in the chamber. Additionally it can be used for optimizing geometry and operating parameters for given physical properties of solvent systems. Copyright © 2011 Elsevier B

  8. The partition function of the supersymmetric two-dimensional black hole and little string theory

    International Nuclear Information System (INIS)

    Israel, Dan; Kounnas, Costas; Troost, Jan; Pakman, Ari

    2004-01-01

    We compute the partition function of the supersymmetric two-dimensional euclidean black hole geometry described by the SL(2,R)/U(1) superconformal field theory. We decompose the result in terms of characters of the N = 2 superconformal symmetry. We point out puzzling sectors of states besides finding expected discrete and continuous contributions to the partition function. By adding an N = 2 minimal model factor of the correct central charge and projecting on integral N = 2 charges we compute the partition function of the background dual to little string theory in a double scaling limit. We show the precise correspondence between this theory and the background for NS5-branes on a circle, due to an exact description of the background as a null gauging of SL(2,R) x SU(2). Finally, we discuss the interplay between GSO projection and target space geometry. (author)

  9. Anyonic partition functions and windings of planar Brownian motion

    International Nuclear Information System (INIS)

    Desbois, J.; Heinemann, C.; Ouvry, S.

    1995-01-01

    The computation of the N-cycle Brownian paths contribution F N (α) to the N-anyon partition function is addressed. A detailed numerical analysis based on a random walk on a lattice indicates that F N 0 (α)=product k=1 N-1 [1-(N/k)α]. In the paramount three-anyon case, one can show that F 3 (α) is built by linear states belonging to the bosonic, fermionic, and mixed representations of S 3

  10. Functional representation for the grand partition function of a multicomponent system of charged particles: Correlation functions of the reference system

    Directory of Open Access Journals (Sweden)

    O.V.Patsahan

    2006-01-01

    Full Text Available Based on the method of collective variables (CV with a reference system, the exact expression for the functional of the grand partition function of a m-component ionic model with charge and size asymmetry is found. Particular attention is paid to the n-th particle correlation functions of the reference system which is presented as a m-component system of "colour" hard spheres of the same diameter. A two-component model is considered in more detail. In this case the recurrence formulas for the correlation functions are found. A general case of a m-component inhomogeneous system of the "colour" hard spheres is also analysed.

  11. Generalised partition functions: inferences on phase space distributions

    Directory of Open Access Journals (Sweden)

    R. A. Treumann

    2016-06-01

    Full Text Available It is demonstrated that the statistical mechanical partition function can be used to construct various different forms of phase space distributions. This indicates that its structure is not restricted to the Gibbs–Boltzmann factor prescription which is based on counting statistics. With the widely used replacement of the Boltzmann factor by a generalised Lorentzian (also known as the q-deformed exponential function, where κ = 1∕|q − 1|, with κ, q ∈ R both the kappa-Bose and kappa-Fermi partition functions are obtained in quite a straightforward way, from which the conventional Bose and Fermi distributions follow for κ → ∞. For κ ≠ ∞ these are subject to the restrictions that they can be used only at temperatures far from zero. They thus, as shown earlier, have little value for quantum physics. This is reasonable, because physical κ systems imply strong correlations which are absent at zero temperature where apart from stochastics all dynamical interactions are frozen. In the classical large temperature limit one obtains physically reasonable κ distributions which depend on energy respectively momentum as well as on chemical potential. Looking for other functional dependencies, we examine Bessel functions whether they can be used for obtaining valid distributions. Again and for the same reason, no Fermi and Bose distributions exist in the low temperature limit. However, a classical Bessel–Boltzmann distribution can be constructed which is a Bessel-modified Lorentzian distribution. Whether it makes any physical sense remains an open question. This is not investigated here. The choice of Bessel functions is motivated solely by their convergence properties and not by reference to any physical demands. This result suggests that the Gibbs–Boltzmann partition function is fundamental not only to Gibbs–Boltzmann but also to a large class of generalised Lorentzian distributions as well as to the

  12. AGT, N-Burge partitions and WN minimal models

    International Nuclear Information System (INIS)

    Belavin, Vladimir; Foda, Omar; Santachiara, Raoul

    2015-01-01

    Let B N,n p, p ′ , H be a conformal block, with n consecutive channels χ ι , ι=1,⋯,n, in the conformal field theory M N p, p ′ × M H , where M N p, p ′ is a W N minimal model, generated by chiral spin-2, ⋯, spin-N currents, and labeled by two co-prime integers p and p ′ , 1partition functions without modification to compute B N,n p, p ′ ,H , leads to ill-defined expressions. We show that restricting the states that flow in the channels χ ι , ι=1,⋯,n, to states labeled by N partitions that we call N-Burge partitions, that satisfy conditions that we call N-Burge conditions, leads to well-defined expressions that we propose to identify with B N,n p, p ′ , H . We check our identification by showing that a non-trivial conformal block that we compute, using the N-Burge conditions satisfies the expected differential equation. Further, we check that the generating functions of triples of Young diagrams that obey 3-Burge conditions coincide with characters of degenerate W 3 irreducible highest weight representations.

  13. Self-similar structure in the distribution and density of the partition function zeros

    International Nuclear Information System (INIS)

    Huang, M.-C.; Luo, Y.-P.; Liaw, T.-M.

    2003-01-01

    Based on the knowledge of the partition function zeros for the cell-decorated triangular Ising model, we analyze the similar structures contained in the distribution pattern and density function of the zeros. The two own the same symmetries, and the arising of the similar structure in the road toward the infinite decoration-level is exhibited explicitly. The distinct features of the formation of the self-similar structure revealed from this model may be quite general

  14. Computing the Partition Function for Kinetically Trapped RNA Secondary Structures

    Science.gov (United States)

    Lorenz, William A.; Clote, Peter

    2011-01-01

    An RNA secondary structure is locally optimal if there is no lower energy structure that can be obtained by the addition or removal of a single base pair, where energy is defined according to the widely accepted Turner nearest neighbor model. Locally optimal structures form kinetic traps, since any evolution away from a locally optimal structure must involve energetically unfavorable folding steps. Here, we present a novel, efficient algorithm to compute the partition function over all locally optimal secondary structures of a given RNA sequence. Our software, RNAlocopt runs in time and space. Additionally, RNAlocopt samples a user-specified number of structures from the Boltzmann subensemble of all locally optimal structures. We apply RNAlocopt to show that (1) the number of locally optimal structures is far fewer than the total number of structures – indeed, the number of locally optimal structures approximately equal to the square root of the number of all structures, (2) the structural diversity of this subensemble may be either similar to or quite different from the structural diversity of the entire Boltzmann ensemble, a situation that depends on the type of input RNA, (3) the (modified) maximum expected accuracy structure, computed by taking into account base pairing frequencies of locally optimal structures, is a more accurate prediction of the native structure than other current thermodynamics-based methods. The software RNAlocopt constitutes a technical breakthrough in our study of the folding landscape for RNA secondary structures. For the first time, locally optimal structures (kinetic traps in the Turner energy model) can be rapidly generated for long RNA sequences, previously impossible with methods that involved exhaustive enumeration. Use of locally optimal structure leads to state-of-the-art secondary structure prediction, as benchmarked against methods involving the computation of minimum free energy and of maximum expected accuracy. Web server

  15. Computing the partition function for kinetically trapped RNA secondary structures.

    Directory of Open Access Journals (Sweden)

    William A Lorenz

    Full Text Available An RNA secondary structure is locally optimal if there is no lower energy structure that can be obtained by the addition or removal of a single base pair, where energy is defined according to the widely accepted Turner nearest neighbor model. Locally optimal structures form kinetic traps, since any evolution away from a locally optimal structure must involve energetically unfavorable folding steps. Here, we present a novel, efficient algorithm to compute the partition function over all locally optimal secondary structures of a given RNA sequence. Our software, RNAlocopt runs in O(n3 time and O(n2 space. Additionally, RNAlocopt samples a user-specified number of structures from the Boltzmann subensemble of all locally optimal structures. We apply RNAlocopt to show that (1 the number of locally optimal structures is far fewer than the total number of structures--indeed, the number of locally optimal structures approximately equal to the square root of the number of all structures, (2 the structural diversity of this subensemble may be either similar to or quite different from the structural diversity of the entire Boltzmann ensemble, a situation that depends on the type of input RNA, (3 the (modified maximum expected accuracy structure, computed by taking into account base pairing frequencies of locally optimal structures, is a more accurate prediction of the native structure than other current thermodynamics-based methods. The software RNAlocopt constitutes a technical breakthrough in our study of the folding landscape for RNA secondary structures. For the first time, locally optimal structures (kinetic traps in the Turner energy model can be rapidly generated for long RNA sequences, previously impossible with methods that involved exhaustive enumeration. Use of locally optimal structure leads to state-of-the-art secondary structure prediction, as benchmarked against methods involving the computation of minimum free energy and of maximum expected

  16. Partition functions. I. Improved partition functions and thermodynamic quantities for normal, equilibrium, and ortho and para molecular hydrogen

    Science.gov (United States)

    Popovas, A.; Jørgensen, U. G.

    2016-11-01

    Context. Hydrogen is the most abundant molecule in the Universe. Its thermodynamic quantities dominate the physical conditions in molecular clouds, protoplanetary disks, etc. It is also of high interest in plasma physics. Therefore thermodynamic data for molecular hydrogen have to be as accurate as possible in a wide temperature range. Aims: We here rigorously show the shortcomings of various simplifications that are used to calculate the total internal partition function. These shortcomings can lead to errors of up to 40 percent or more in the estimated partition function. These errors carry on to calculations of thermodynamic quantities. Therefore a more complicated approach has to be taken. Methods: Seven possible simplifications of various complexity are described, together with advantages and disadvantages of direct summation of experimental values. These were compared to what we consider the most accurate and most complete treatment (case 8). Dunham coefficients were determined from experimental and theoretical energy levels of a number of electronically excited states of H2. Both equilibrium and normal hydrogen was taken into consideration. Results: Various shortcomings in existing calculations are demonstrated, and the reasons for them are explained. New partition functions for equilibrium, normal, and ortho and para hydrogen are calculated and thermodynamic quantities are reported for the temperature range 1-20 000 K. Our results are compared to previous estimates in the literature. The calculations are not limited to the ground electronic state, but include all bound and quasi-bound levels of excited electronic states. Dunham coefficients of these states of H2 are also reported. Conclusions: For most of the relevant astrophysical cases it is strongly advised to avoid using simplifications, such as a harmonic oscillator and rigid rotor or ad hoc summation limits of the eigenstates to estimate accurate partition functions and to be particularly careful when

  17. On the relativistic partition function of ideal gases

    International Nuclear Information System (INIS)

    Sinyukov, Yu.M.

    1983-01-01

    The covariant partition function method for ideal Boltzmann and Bose gases is developed within quantum field theory. This method is a basis to describe the statistical and thermodynamical properties of the gases in canonical, grand canonical and pressure ensembles in an arbitrary inertial system. It is shown that when statistical systems are described relativistically it is very important to take into account the boundary conditions. This is due to the fact that an equilibrium system is not closed mechanically. The results may find application in hadron physics. (orig.)

  18. Partition functions for quantum gravity, black holes, elliptic genera and Lie algebra homologies

    Energy Technology Data Exchange (ETDEWEB)

    Bonora, L., E-mail: bonora@sissa.it [International School for Advanced Studies (SISSA), Via Bonomea 265, 34136 Trieste (Italy); INFN, Sezione di Trieste (Italy); Bytsenko, A.A., E-mail: abyts@uel.br [Departamento de Fisica, Universidade Estadual de Londrina, Caixa Postal 6001, Londrina (Brazil)

    2011-11-11

    There is a remarkable connection between quantum generating functions of field theory and formal power series associated with dimensions of chains and homologies of suitable Lie algebras. We discuss the homological aspects of this connection with its applications to partition functions of the minimal three-dimensional gravities in the space-time asymptotic to AdS{sub 3}, which also describe the three-dimensional Euclidean black holes, the pure N=1 supergravity, and a sigma model on N-fold generalized symmetric products. We also consider in the same context elliptic genera of some supersymmetric sigma models. These examples can be considered as a straightforward application of the machinery of modular forms and spectral functions (with values in the congruence subgroup of SL(2,Z)) to partition functions represented by means of formal power series that encode Lie algebra properties.

  19. Restoring canonical partition functions from imaginary chemical potential

    Science.gov (United States)

    Bornyakov, V. G.; Boyda, D.; Goy, V.; Molochkov, A.; Nakamura, A.; Nikolaev, A.; Zakharov, V. I.

    2018-03-01

    Using GPGPU techniques and multi-precision calculation we developed the code to study QCD phase transition line in the canonical approach. The canonical approach is a powerful tool to investigate sign problem in Lattice QCD. The central part of the canonical approach is the fugacity expansion of the grand canonical partition functions. Canonical partition functions Zn(T) are coefficients of this expansion. Using various methods we study properties of Zn(T). At the last step we perform cubic spline for temperature dependence of Zn(T) at fixed n and compute baryon number susceptibility χB/T2 as function of temperature. After that we compute numerically ∂χ/∂T and restore crossover line in QCD phase diagram. We use improved Wilson fermions and Iwasaki gauge action on the 163 × 4 lattice with mπ/mρ = 0.8 as a sandbox to check the canonical approach. In this framework we obtain coefficient in parametrization of crossover line Tc(µ2B) = Tc(C-ĸµ2B/T2c) with ĸ = -0.0453 ± 0.0099.

  20. Chamber identity programs drive early functional partitioning of the heart.

    Science.gov (United States)

    Mosimann, Christian; Panáková, Daniela; Werdich, Andreas A; Musso, Gabriel; Burger, Alexa; Lawson, Katy L; Carr, Logan A; Nevis, Kathleen R; Sabeh, M Khaled; Zhou, Yi; Davidson, Alan J; DiBiase, Anthony; Burns, Caroline E; Burns, C Geoffrey; MacRae, Calum A; Zon, Leonard I

    2015-08-26

    The vertebrate heart muscle (myocardium) develops from the first heart field (FHF) and expands by adding second heart field (SHF) cells. While both lineages exist already in teleosts, the primordial contributions of FHF and SHF to heart structure and function remain incompletely understood. Here we delineate the functional contribution of the FHF and SHF to the zebrafish heart using the cis-regulatory elements of the draculin (drl) gene. The drl reporters initially delineate the lateral plate mesoderm, including heart progenitors. Subsequent myocardial drl reporter expression restricts to FHF descendants. We harnessed this unique feature to uncover that loss of tbx5a and pitx2 affect relative FHF versus SHF contributions to the heart. High-resolution physiology reveals distinctive electrical properties of each heart field territory that define a functional boundary within the single zebrafish ventricle. Our data establish that the transcriptional program driving cardiac septation regulates physiologic ventricle partitioning, which successively provides mechanical advantages of sequential contraction.

  1. Higher genus partition functions of meromorphic conformal field theories

    International Nuclear Information System (INIS)

    Gaberdiel, Matthias R.; Volpato, Roberto

    2009-01-01

    It is shown that the higher genus vacuum amplitudes of a meromorphic conformal field theory determine the affine symmetry of the theory uniquely, and we give arguments that suggest that also the representation content with respect to this affine symmetry is specified, up to automorphisms of the finite Lie algebra. We illustrate our findings with the self-dual theories at c = 16 and c = 24; in particular, we give an elementary argument that shows that the vacuum amplitudes of the E 8 x E 8 theory and the Spin(32)/Z 2 theory differ at genus g = 5. The fact that the discrepancy only arises at rather high genus is a consequence of the modular properties of higher genus amplitudes at small central charges. In fact, we show that for c ≤ 24 the genus one partition function specifies already the partition functions up to g ≤ 4 uniquely. Finally we explain how our results generalise to non-meromorphic conformal field theories.

  2. Discrete and Continuous Models for Partitioning Problems

    KAUST Repository

    Lellmann, Jan

    2013-04-11

    Recently, variational relaxation techniques for approximating solutions of partitioning problems on continuous image domains have received considerable attention, since they introduce significantly less artifacts than established graph cut-based techniques. This work is concerned with the sources of such artifacts. We discuss the importance of differentiating between artifacts caused by discretization and those caused by relaxation and provide supporting numerical examples. Moreover, we consider in depth the consequences of a recent theoretical result concerning the optimality of solutions obtained using a particular relaxation method. Since the employed regularizer is quite tight, the considered relaxation generally involves a large computational cost. We propose a method to significantly reduce these costs in a fully automatic way for a large class of metrics including tree metrics, thus generalizing a method recently proposed by Strekalovskiy and Cremers (IEEE conference on computer vision and pattern recognition, pp. 1905-1911, 2011). © 2013 Springer Science+Business Media New York.

  3. The wave function behavior of the open topological string partition function on the conifold

    International Nuclear Information System (INIS)

    Kashani-Poor, Amir-Kian

    2007-01-01

    We calculate the topological string partition function to all genus on the conifold, in the presence of branes. We demonstrate that the partition functions for different brane backgrounds (smoothly connected along a quantum corrected moduli space) can be interpreted as the same wave function in different polarizations. This behavior has a natural interpretation in the Chern-Simons target space description of the topological theory. Our detailed analysis however indicates that non-perturbatively, a modification of real Chern-Simons theory is required to capture the correct target space theory of the topological string. We perform our calculations in the framework of a free fermion representation of the open topological string, demonstrating that this framework extends beyond the simple C 3 geometry. The notion of a fermionic brane creation operator arises in this setting, and we study to what extent the wave function properties of the partition function can be extended to this operator

  4. Modeling water and hydrogen networks with partitioning regeneration units

    Directory of Open Access Journals (Sweden)

    W.M. Shehata

    2015-03-01

    Full Text Available Strict environment regulations in chemical and refinery industries lead to minimize resource consumption by designing utility networks within industrial process plants. The present study proposed a superstructure based optimization model for the synthesis of water and hydrogen networks with partitioning regenerators without mixing the regenerated sources. This method determines the number of partitioning regenerators needed for the regeneration of the sources. The number of the regenerators is based on the number of sources required to be treated for recovery. Each source is regenerated in an individual partitioning regenerator. Multiple regeneration systems can be employed to achieve minimum flowrate and costs. The formulation is linear in the regenerator balance equations. The optimized model is applied for two systems, partitioning regeneration systems of the fixed outlet impurity concentration and partitioning regeneration systems of the fixed impurity load removal ratio (RR for water and hydrogen networks. Several case studies from the literature are solved to illustrate the ease and applicability of the proposed method.

  5. New Linear Partitioning Models Based on Experimental Water: Supercritical CO2 Partitioning Data of Selected Organic Compounds.

    Science.gov (United States)

    Burant, Aniela; Thompson, Christopher; Lowry, Gregory V; Karamalidis, Athanasios K

    2016-05-17

    Partitioning coefficients of organic compounds between water and supercritical CO2 (sc-CO2) are necessary to assess the risk of migration of these chemicals from subsurface CO2 storage sites. Despite the large number of potential organic contaminants, the current data set of published water-sc-CO2 partitioning coefficients is very limited. Here, the partitioning coefficients of thiophene, pyrrole, and anisole were measured in situ over a range of temperatures and pressures using a novel pressurized batch-reactor system with dual spectroscopic detectors: a near-infrared spectrometer for measuring the organic analyte in the CO2 phase and a UV detector for quantifying the analyte in the aqueous phase. Our measured partitioning coefficients followed expected trends based on volatility and aqueous solubility. The partitioning coefficients and literature data were then used to update a published poly parameter linear free-energy relationship and to develop five new linear free-energy relationships for predicting water-sc-CO2 partitioning coefficients. A total of four of the models targeted a single class of organic compounds. Unlike models that utilize Abraham solvation parameters, the new relationships use vapor pressure and aqueous solubility of the organic compound at 25 °C and CO2 density to predict partitioning coefficients over a range of temperature and pressure conditions. The compound class models provide better estimates of partitioning behavior for compounds in that class than does the model built for the entire data set.

  6. Partition functions of classical Heisenberg spin chains with arbitrary and different exchange

    International Nuclear Information System (INIS)

    Cregg, P J; GarcIa-Palacios, J L; Svedlindh, P

    2008-01-01

    The classical Heisenberg model has been effective in modelling exchange interactions in molecular magnets. In this model, the partition function is important as it allows the calculation of the magnetization and susceptibility. For an ensemble of N-spin sites, this typically involves integrals in 2N dimensions. Here, for two-, three- and four-spin nearest neighbour open linear Heisenberg chains these integrals are reduced to sums of known functions, using a result due to Gegenbauer. For the case of the three- and four-spin chains, the sums are equivalent in form to the results of Joyce. The general result for an N-spin chain is also obtained

  7. Natural Microbial Assemblages Reflect Distinct Organismal and Functional Partitioning

    Science.gov (United States)

    Wilmes, P.; Andersson, A.; Kalnejais, L. H.; Verberkmoes, N. C.; Lefsrud, M. G.; Wexler, M.; Singer, S. W.; Shah, M.; Bond, P. L.; Thelen, M. P.; Hettich, R. L.; Banfield, J. F.

    2007-12-01

    The ability to link microbial community structure to function has long been a primary focus of environmental microbiology. With the advent of community genomic and proteomic techniques, along with advances in microscopic imaging techniques, it is now possible to gain insights into the organismal and functional makeup of microbial communities. Biofilms growing within highly acidic solutions inside the Richmond Mine (Iron Mountain, Redding, California) exhibit distinct macro- and microscopic morphologies. They are composed of microorganisms belonging to the three domains of life, including archaea, bacteria and eukarya. The proportion of each organismal type depends on sampling location and developmental stage. For example, mature biofilms floating on top of acid mine drainage (AMD) pools exhibit layers consisting of a densely packed bottom layer of the chemoautolithotroph Leptospirillum group II, a less dense top layer composed mainly of archaea, and fungal filaments spanning across the entire biofilm. The expression of cytochrome 579 (the most highly abundant protein in the biofilm, believed to be central to iron oxidation and encoded by Leptospirillum group II) is localized at the interface of the biofilm with the AMD solution, highlighting that biofilm architecture is reflected at the functional gene expression level. Distinct functional partitioning is also apparent in a biological wastewater treatment system that selects for distinct polyphosphate accumulating organisms. Community genomic data from " Candidatus Accumulibacter phosphatis" dominated activated sludge has enabled high mass-accuracy shotgun proteomics for identification of key metabolic pathways. Comprehensive genome-wide alignment of orthologous proteins suggests distinct partitioning of protein variants involved in both core-metabolism and specific metabolic pathways among the dominant population and closely related species. In addition, strain- resolved proteogenomic analysis of the AMD biofilms

  8. A layer model of ethanol partitioning into lipid membranes.

    Science.gov (United States)

    Nizza, David T; Gawrisch, Klaus

    2009-06-01

    The effect of membrane composition on ethanol partitioning into lipid bilayers was assessed by headspace gas chromatography. A series of model membranes with different compositions have been investigated. Membranes were exposed to a physiological ethanol concentration of 20 mmol/l. The concentration of membranes was 20 wt% which roughly corresponds to values found in tissue. Partitioning depended on the chemical nature of polar groups at the lipid/water interface. Compared to phosphatidylcholine, lipids with headgroups containing phosphatidylglycerol, phosphatidylserine, and sphingomyelin showed enhanced partitioning while headgroups containing phosphatidylethanolamine resulted in a lower partition coefficient. The molar partition coefficient was independent of a membrane's hydrophobic volume. This observation is in agreement with our previously published NMR results which showed that ethanol resides almost exclusively within the membrane/water interface. At an ethanol concentration of 20 mmol/l in water, ethanol concentrations at the lipid/water interface are in the range from 30-15 mmol/l, corresponding to one ethanol molecule per 100-200 lipids.

  9. Exactly soluble models for surface partition of large clusters

    International Nuclear Information System (INIS)

    Bugaev, K.A.; Bugaev, K.A.; Elliott, J.B.

    2007-01-01

    The surface partition of large clusters is studied analytically within a framework of the 'Hills and Dales Model'. Three formulations are solved exactly by using the Laplace-Fourier transformation method. In the limit of small amplitude deformations, the 'Hills and Dales Model' gives the upper and lower bounds for the surface entropy coefficient of large clusters. The found surface entropy coefficients are compared with those of large clusters within the 2- and 3-dimensional Ising models

  10. Sound transmission through lightweight double-leaf partitions: theoretical modelling

    Science.gov (United States)

    Wang, J.; Lu, T. J.; Woodhouse, J.; Langley, R. S.; Evans, J.

    2005-09-01

    This paper presents theoretical modelling of the sound transmission loss through double-leaf lightweight partitions stiffened with periodically placed studs. First, by assuming that the effect of the studs can be replaced with elastic springs uniformly distributed between the sheathing panels, a simple smeared model is established. Second, periodic structure theory is used to develop a more accurate model taking account of the discrete placing of the studs. Both models treat incident sound waves in the horizontal plane only, for simplicity. The predictions of the two models are compared, to reveal the physical mechanisms determining sound transmission. The smeared model predicts relatively simple behaviour, in which the only conspicuous features are associated with coincidence effects with the two types of structural wave allowed by the partition model, and internal resonances of the air between the panels. In the periodic model, many more features are evident, associated with the structure of pass- and stop-bands for structural waves in the partition. The models are used to explain the effects of incidence angle and of the various system parameters. The predictions are compared with existing test data for steel plates with wooden stiffeners, and good agreement is obtained.

  11. Optimisation-Based Solution Methods for Set Partitioning Models

    DEFF Research Database (Denmark)

    Rasmussen, Matias Sevel

    The scheduling of crew, i.e. the construction of work schedules for crew members, is often not a trivial task, but a complex puzzle. The task is complicated by rules, restrictions, and preferences. Therefore, manual solutions as well as solutions from standard software packages are not always su......_cient with respect to solution quality and solution time. Enhancement of the overall solution quality as well as the solution time can be of vital importance to many organisations. The _elds of operations research and mathematical optimisation deal with mathematical modelling of di_cult scheduling problems (among...... other topics). The _elds also deal with the development of sophisticated solution methods for these mathematical models. This thesis describes the set partitioning model which has been widely used for modelling crew scheduling problems. Integer properties for the set partitioning model are shown...

  12. Canonical partition functions: ideal quantum gases, interacting classical gases, and interacting quantum gases

    Science.gov (United States)

    Zhou, Chi-Chun; Dai, Wu-Sheng

    2018-02-01

    In statistical mechanics, for a system with a fixed number of particles, e.g. a finite-size system, strictly speaking, the thermodynamic quantity needs to be calculated in the canonical ensemble. Nevertheless, the calculation of the canonical partition function is difficult. In this paper, based on the mathematical theory of the symmetric function, we suggest a method for the calculation of the canonical partition function of ideal quantum gases, including ideal Bose, Fermi, and Gentile gases. Moreover, we express the canonical partition functions of interacting classical and quantum gases given by the classical and quantum cluster expansion methods in terms of the Bell polynomial in mathematics. The virial coefficients of ideal Bose, Fermi, and Gentile gases are calculated from the exact canonical partition function. The virial coefficients of interacting classical and quantum gases are calculated from the canonical partition function by using the expansion of the Bell polynomial, rather than calculated from the grand canonical potential.

  13. Characterisations of Partition of Unities Generated by Entire Functions in Cd

    DEFF Research Database (Denmark)

    Christensen, Ole; Kim, Hong Oh; Kim, Rae Young

    2017-01-01

    Collections of functions forming a partition of unity play an important role in analysis. In this paper we characterise for any N∈N the entire functions P for which the partition of unity condition ∑n∈ZdP(x+n)χ[0,N]d(x+n)=1 holds for all x∈Rd. The general characterisation leads to various easy wa...

  14. On entire functions restricted to intervals, partition of unities, and dual Gabor frames

    DEFF Research Database (Denmark)

    Christensen, Ole; Kim, Hong Oh; Kim, Rae Young

    2014-01-01

    Partition of unities appears in many places in analysis. Typically it is generated by compactly supported functions with a certain regularity. In this paper we consider partition of unities obtained as integer-translates of entire functions restricted to finite intervals. We characterize the enti...

  15. 2D CFT partition functions at late times

    Science.gov (United States)

    Dyer, Ethan; Gur-Ari, Guy

    2017-08-01

    We consider the late time behavior of the analytically continued partition function Z( β + it) Z( β - it) in holographic 2 d CFTs. This is a probe of information loss in such theories and in their holographic duals. We show that each Virasoro character decays in time, and so information is not restored at the level of individual characters. We identify a universal decaying contribution at late times, and conjecture that it describes the behavior of generic chaotic 2 d CFTs out to times that are exponentially large in the central charge. It was recently suggested that at sufficiently late times one expects a crossover to random matrix behavior. We estimate an upper bound on the crossover time, which suggests that the decay is followed by a parametrically long period of late time growth. Finally, we discuss gravitationally-motivated integrable theories and show how information is restored at late times by a series of characters. This hints at a possible bulk mechanism, where information is restored by an infinite sum over non-perturbative saddles.

  16. Partitioning inter annual variability in net ecosystem exchange between climatic variability and functional change

    International Nuclear Information System (INIS)

    Hui, D.; Luo, Y.; Katul, G.

    2003-01-01

    Inter annual variability in net ecosystem exchange of carbon is investigated using a homogeneity-of-slopes model to identify the function change contributing to inter annual variability, net ecosystem carbon exchange, and night-time ecosystem respiration. Results of employing this statistical approach to a data set collected at the Duke Forest AmeriFlux site from August 1997 to December 2001 are discussed. The results demonstrate that it is feasible to partition the variation in ecosystem carbon fluxes into direct effects of seasonal and inter annual climatic variability and functional change. 51 refs., 4 tabs., 5 figs

  17. Model-based Recursive Partitioning for Subgroup Analyses

    OpenAIRE

    Seibold, Heidi; Zeileis, Achim; Hothorn, Torsten

    2016-01-01

    The identification of patient subgroups with differential treatment effects is the first step towards individualised treatments. A current draft guideline by the EMA discusses potentials and problems in subgroup analyses and formulated challenges to the development of appropriate statistical procedures for the data-driven identification of patient subgroups. We introduce model-based recursive partitioning as a procedure for the automated detection of patient subgroups that are identifiable by...

  18. Application of radial basis function neural network to predict soil sorption partition coefficient using topological descriptors.

    Science.gov (United States)

    Sabour, Mohammad Reza; Moftakhari Anasori Movahed, Saman

    2017-02-01

    The soil sorption partition coefficient logK oc is an indispensable parameter that can be used in assessing the environmental risk of organic chemicals. In order to predict soil sorption partition coefficient for different and even unknown compounds in a fast and accurate manner, a radial basis function neural network (RBFNN) model was developed. Eight topological descriptors of 800 organic compounds were used as inputs of the model. These 800 organic compounds were chosen from a large and very diverse data set. Generalized Regression Neural Network (GRNN) was utilized as the function in this neural network model due to its capability to adapt very quickly. Hence, it can be used to predict logK oc for new chemicals, as well. Out of total data set, 560 organic compounds were used for training and 240 to test efficiency of the model. The obtained results indicate that the model performance is very well. The correlation coefficients (R2) for training and test sets were 0.995 and 0.933, respectively. The root-mean square errors (RMSE) were 0.2321 for training set and 0.413 for test set. As the results for both training and test set are extremely satisfactory, the proposed neural network model can be employed not only to predict logK oc of known compounds, but also to be adaptive for prediction of this value precisely for new products that enter the market each year. Copyright © 2016 Elsevier Ltd. All rights reserved.

  19. A double-panel active segmented partition module using decoupled analog feedback controllers: numerical model.

    Science.gov (United States)

    Sagers, Jason D; Leishman, Timothy W; Blotter, Jonathan D

    2009-06-01

    Low-frequency sound transmission has long plagued the sound isolation performance of lightweight partitions. Over the past 2 decades, researchers have investigated actively controlled structures to prevent sound transmission from a source space into a receiving space. An approach using active segmented partitions (ASPs) seeks to improve low-frequency sound isolation capabilities. An ASP is a partition which has been mechanically and acoustically segmented into a number of small individually controlled modules. This paper provides a theoretical and numerical development of a single ASP module configuration, wherein each panel of the double-panel structure is independently actuated and controlled by an analog feedback controller. A numerical model is developed to estimate frequency response functions for the purpose of controller design, to understand the effects of acoustic coupling between the panels, to predict the transmission loss of the module in both passive and active states, and to demonstrate that the proposed ASP module will produce bidirectional sound isolation.

  20. Partition function of free conformal fields in 3-plet representation

    Energy Technology Data Exchange (ETDEWEB)

    Beccaria, Matteo [Dipartimento di Matematica e Fisica “Ennio De Giorgi”, Università del Salento & INFN,Via Arnesano, 73100 Lecce (Italy); Tseytlin, Arkady A. [The Blackett Laboratory, Imperial College,London SW7 2AZ (United Kingdom)

    2017-05-10

    Simplest examples of AdS/CFT duality correspond to free CFTs in d dimensions with fields in vector or adjoint representation of an internal symmetry group dual in the large N limit to a theory of massless or massless plus massive higher spins in AdS{sub d+1}. One may also study generalizations when conformal fields belong to higher dimensional representations, i.e. carry more than two internal symmetry indices. Here we consider the case of the 3-fundamental (“3-plet”) representation. One motivation is a conjectured connection to multiple M5-brane theory: heuristic arguments suggest that it may be related to an (interacting) CFT of 6d (2,0) tensor multiplets in 3-plet representation of large N symmetry group that has an AdS{sub 7} dual. We compute the singlet partition function Z on S{sup 1}×S{sup d−1} for a free field in 3-plet representation of U(N) and analyse its novel large N behaviour. The large N limit of the low temperature expansion of Z which is convergent in the vector and adjoint cases here is only asymptotic, reflecting the much faster growth of the number of singlet operators with dimension, indicating a phase transition at very low temperature. Indeed, while the critical temperatures in the vector (T{sub c}∼N{sup γ}, γ>0) and adjoint (T{sub c}∼1) cases are finite, we find that in the 3-plet case T{sub c}∼(log N){sup −1}, i.e. it approaches zero at large N. We discuss some details of large N solution for the eigenvalue distribution. Similar conclusions apply to higher p-plet representations of U(N) or O(N) and also to the free p-tensor theories invariant under [U(N)]{sup p} or [O(N)]{sup p} with p≥3.

  1. Operator bases, S-matrices, and their partition functions

    Science.gov (United States)

    Henning, Brian; Lu, Xiaochuan; Melia, Tom; Murayama, Hitoshi

    2017-10-01

    Relativistic quantum systems that admit scattering experiments are quantitatively described by effective field theories, where S-matrix kinematics and symmetry considerations are encoded in the operator spectrum of the EFT. In this paper we use the S-matrix to derive the structure of the EFT operator basis, providing complementary descriptions in (i) position space utilizing the conformal algebra and cohomology and (ii) momentum space via an algebraic formulation in terms of a ring of momenta with kinematics implemented as an ideal. These frameworks systematically handle redundancies associated with equations of motion (on-shell) and integration by parts (momentum conservation). We introduce a partition function, termed the Hilbert series, to enumerate the operator basis — correspondingly, the S-matrix — and derive a matrix integral expression to compute the Hilbert series. The expression is general, easily applied in any spacetime dimension, with arbitrary field content and (linearly realized) symmetries. In addition to counting, we discuss construction of the basis. Simple algorithms follow from the algebraic formulation in momentum space. We explicitly compute the basis for operators involving up to n = 5 scalar fields. This construction universally applies to fields with spin, since the operator basis for scalars encodes the momentum dependence of n-point amplitudes. We discuss in detail the operator basis for non-linearly realized symmetries. In the presence of massless particles, there is freedom to impose additional structure on the S- matrix in the form of soft limits. The most na¨ıve implementation for massless scalars leads to the operator basis for pions, which we confirm using the standard CCWZ formulation for non-linear realizations. Although primarily discussed in the language of EFT, some of our results — conceptual and quantitative — may be of broader use in studying conformal field theories as well as the AdS/CFT correspondence.

  2. String partition functions, Hilbert schemes and affine Lie algebra representations on homology groups

    International Nuclear Information System (INIS)

    Bonora, Loriano; Bytsenko, Andrey; Elizalde, Emilio

    2012-01-01

    This review paper contains a concise introduction to highest weight representations of infinite-dimensional Lie algebras, vertex operator algebras and Hilbert schemes of points, together with their physical applications to elliptic genera of superconformal quantum mechanics and superstring models. The common link of all these concepts and of the many examples considered in this paper is to be found in a very important feature of the theory of infinite-dimensional Lie algebras: the modular properties of the characters (generating functions) of certain representations. The characters of the highest weight modules represent the holomorphic parts of the partition functions on the torus for the corresponding conformal field theories. We discuss the role of the unimodular (and modular) groups and the (Selberg-type) Ruelle spectral functions of hyperbolic geometry in the calculation of elliptic genera and associated q-series. For mathematicians, elliptic genera are commonly associated with new mathematical invariants for spaces, while for physicists elliptic genera are one-loop string partition function. (Therefore, they are applicable, for instance, to topological Casimir effect calculations.) We show that elliptic genera can be conveniently transformed into product expressions, which can then inherit the homology properties of appropriate polygraded Lie algebras. This article is part of a special issue of Journal of Physics A: Mathematical and Theoretical in honour of Stuart Dowker’s 75th birthday devoted to ‘Applications of zeta functions and other spectral functions in mathematics and physics’. (review)

  3. Transfer functions for solid solution partitioning of cadmium for Australian soils

    NARCIS (Netherlands)

    Vries, de W.; Mc Laughlin, M.J.; Groenenberg, J.E.

    2011-01-01

    To assess transport and ecotoxicological risks of metals, such as cadmium (Cd) in soils, models are needed for partitioning and speciation. We derived regression-based “partition-relations” based on adsorption and desorption experiments for main Australian soil types. First, batch adsorption

  4. Off-critical local height probabilities on a plane and critical partition functions on a cylinder

    Directory of Open Access Journals (Sweden)

    Omar Foda

    2018-03-01

    Full Text Available We compute off-critical local height probabilities in regime-III restricted solid-on-solid models in a 4N-quadrant spiral geometry, with periodic boundary conditions in the angular direction, and fixed boundary conditions in the radial direction, as a function of N, the winding number of the spiral, and τ, the departure from criticality of the model, and observe that the result depends only on the product Nτ. In the limit N→1, τ→τ0, such that τ0 is finite, we recover the off-critical local height probability on a plane, τ0-away from criticality. In the limit N→∞, τ→0, such that Nτ=τ0 is finite, and following a conformal transformation, we obtain a critical partition function on a cylinder of aspect-ratio τ0. We conclude that the off-critical local height probability on a plane, τ0-away from criticality, is equal to a critical partition function on a cylinder of aspect-ratio τ0, in agreement with a result of Saleur and Bauer.

  5. Partitioning taxonomic diversity of aquatic insect assemblages and functional feeding groups in Neotropical Savanna headwater streams

    Science.gov (United States)

    Biological diversity can be divided into: alpha (α, local), beta (β, difference in assemblage composition among locals), and gamma (γ, total diversity). We assessed the partitioning of taxonomic diversity of Ephemeroptera, Plecoptera and Trichoptera (EPT) and of functional feedin...

  6. Schwinger's formula and the partition function for the bosonic and fermionic harmonic oscillators

    International Nuclear Information System (INIS)

    Albuquerque, L.C. de; Farina, C.; Rabello, S.J.

    1994-01-01

    We use Schwinger's formula, introduced by himself in the early fifties to compute effective actions for Qed, and recently applied to the Casimir effect, to obtain the partition functions for both the bosonic and fermionic harmonic oscillators. (author)

  7. On the partition function of d+1 dimensional kink-bearing systems

    International Nuclear Information System (INIS)

    Radosz, A.; Salejda, W.

    1987-01-01

    It is suggested that the problem of finding a partition function of d+1 dimensional kink-bearing system in the classical approximation may be formulated as an eigenvalue problem of an appropriate d dimensional quantum

  8. Sound intensity as a function of sound insulation partition

    OpenAIRE

    Cvetkovic , S.; Prascevic , R.

    1994-01-01

    In the modern engineering practice, the sound insulation of the partitions is the synthesis of the theory and of the experience acquired in the procedure of the field and of the laboratory measurement. The science and research public treat the sound insulation in the context of the emission and propagation of the acoustic energy in the media with the different acoustics impedance. In this paper, starting from the essence of physical concept of the intensity as the energy vector, the authors g...

  9. A partitioned conjugate gradient algorithm for lattice Green functions

    International Nuclear Information System (INIS)

    Bowler, K.C.; Kenway, R.D.; Pawley, G.S.; Wallace, D.J.

    1984-01-01

    Partitioning reduces by one the dimensionality of the lattice on which a propagator need be calculated using, for example, the conjugate gradient algorithm. Thus the quark propagator in lattice QCD may be determined by a computation on a single spatial hyperplane. For free fermions on a 16 3 x N lattice 2N-bit accuracy in the propagator is required to avoid rounding errors. (orig.)

  10. A paradox in the electronic partition function or how to be cautious with mathematics

    Energy Technology Data Exchange (ETDEWEB)

    Miranda, E.N. [CRICYT - CONICET, Mendoza (Argentina); Departamento de Fisica, Universidad Nacional de San Luis, San Luis (Argentina)

    2001-09-01

    When the electronic partition functions of atoms or molecules are evaluated in textbooks, only the contribution of the ground state is considered. The excited states' contribution is argued to be negligible. However, a closer look shows that the partition function diverges if such states are taken into account. This paper shows that the blind use of mathematics is the reason behind this odd behaviour. (author)

  11. On the analytical evaluation of the partition function for unit hypercubes in four dimensions

    International Nuclear Information System (INIS)

    Hari Dass, N.D.

    1984-10-01

    The group integrations required for the analytic evaluation of the partition function for unit hypercubes in four dimensions are carried out. Modifications of the graphical rules for SU 2 group integrations cited in the literature are developed for this purpose. A complete classification of all surfaces that can be embedded in the unit hypercube is given and their individual contribution to the partition function worked out. Applications are discussed briefly. (orig.)

  12. A paradox in the electronic partition function or how to be cautious with mathematics

    International Nuclear Information System (INIS)

    Miranda, E.N.

    2001-01-01

    When the electronic partition functions of atoms or molecules are evaluated in textbooks, only the contribution of the ground state is considered. The excited states' contribution is argued to be negligible. However, a closer look shows that the partition function diverges if such states are taken into account. This paper shows that the blind use of mathematics is the reason behind this odd behaviour. (author)

  13. One loop partition function of six dimensional conformal gravity using heat kernel on AdS

    Energy Technology Data Exchange (ETDEWEB)

    Lovreković, Iva [Institute for Theoretical Physics, Technische Universität Wien,Wiedner Hauptstrasse 8-10/136, A-1040 Vienna (Austria)

    2016-10-13

    We compute the heat kernel for the Laplacians of symmetric transverse traceless fields of arbitrary spin on the AdS background in even number of dimensions using the group theoretic approach introduced in http://dx.doi.org/10.1007/JHEP11(2011)010 and apply it on the partition function of six dimensional conformal gravity. The obtained partition function consists of the Einstein gravity, conformal ghost and two modes that contain mass.

  14. BPS/CFT Correspondence III: Gauge Origami Partition Function and qq-Characters

    Science.gov (United States)

    Nekrasov, Nikita

    2018-03-01

    We study generalized gauge theories engineered by taking the low energy limit of the Dp branes wrapping {X × {T}^{p-3}}, with X a possibly singular surface in a Calabi-Yau fourfold Z. For toric Z and X the partition function can be computed by localization, making it a statistical mechanical model, called the gauge origami. The random variables are the ensembles of Young diagrams. The building block of the gauge origami is associated with a tetrahedron, whose edges are colored by vector spaces. We show the properly normalized partition function is an entire function of the Coulomb moduli, for generic values of the {Ω} -background parameters. The orbifold version of the theory defines the qq-character operators, with and without the surface defects. The analytic properties are the consequence of a relative compactness of the moduli spaces M({ěc n}, k) of crossed and spiked instantons, demonstrated in "BPS/CFT correspondence II: instantons at crossroads, moduli and compactness theorem".

  15. Modeling Degradation Product Partitioning in Chlorinated-DNAPL Source Zones

    Science.gov (United States)

    Boroumand, A.; Ramsburg, A.; Christ, J.; Abriola, L.

    2009-12-01

    Metabolic reductive dechlorination degrades aqueous phase contaminant concentrations, increasing the driving force for DNAPL dissolution. Results from laboratory and field investigations suggest that accumulation of cis-dichloroethene (cis-DCE) and vinyl chloride (VC) may occur within DNAPL source zones. The lack of (or slow) degradation of cis-DCE and VC within bioactive DNAPL source zones may result in these dechlorination products becoming distributed among the solid, aqueous, and organic phases. Partitioning of cis-DCE and VC into the organic phase may reduce aqueous phase concentrations of these contaminants and result in the enrichment of these dechlorination products within the non-aqueous phase. Enrichment of degradation products within DNAPL may reduce some of the advantages associated with the application of bioremediation in DNAPL source zones. Thus, it is important to quantify how partitioning (between the aqueous and organic phases) influences the transport of cis-DCE and VC within bioactive DNAPL source zones. In this work, abiotic two-phase (PCE-water) one-dimensional column experiments are modeled using analytical and numerical methods to examine the rate of partitioning and the capacity of PCE-DNAPL to reversibly sequester cis-DCE. These models consider aqueous-phase, nonaqueous phase, and aqueous plus nonaqueous phase mass transfer resistance using linear driving force and spherical diffusion expressions. Model parameters are examined and compared for different experimental conditions to evaluate the mechanisms controlling partitioning. Biot number, a dimensionless number which is an index of the ratio of the aqueous phase mass transfer rate in boundary layer to the mass transfer rate within the NAPL, is used to characterize conditions in which either or both processes are controlling. Results show that application of a single aqueous resistance is capable to capture breakthrough curves when DNAPL is distributed in porous media as low

  16. 1-loop partition function in AdS{sub 3}/CFT{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Bin [Department of Physics and State Key Laboratory of Nuclear Physics and Technology,Peking University,5 Yiheyuan Rd, Beijing 100871 (China); Collaborative Innovation Center of Quantum Matter,5 Yiheyuan Rd, Beijing 100871 (China); Center for High Energy Physics, Peking University,5 Yiheyuan Rd, Beijing 100871 (China); Wu, Jie-qiang [Department of Physics and State Key Laboratory of Nuclear Physics and Technology,Peking University,5 Yiheyuan Rd, Beijing 100871 (China)

    2015-12-16

    The 1-loop partition function of the handlebody solutions in the AdS{sub 3} gravity have been derived some years ago using the heat kernel techniques and the method of images. In the semiclassical limit, such partition function should correspond to the order O(c{sup 0}) part in the partition function of dual conformal field theory(CFT) on the boundary Riemann surface. The higher genus partition function could be computed by the multi-point functions in the Riemann sphere via sewing prescription. In the large central charge limit, the CFT is effectively free in the sense that to the leading order of c the multi-point function is further simplified to be a summation over the products of two-point functions of single-particle states. Correspondingly in the bulk, the graviton is freely propagating without interaction. Furthermore the product of the two-point functions may define the links, each of which is in one-to-one correspondence with the conjugacy class of the Schottky group of the Riemann surface. Moreover, the value of a link is determined by the multiplier of the element in the conjugacy class. This allows us to reproduce exactly the gravitational 1-loop partition function. The proof can be generalized to the higher spin gravity and its dual CFT.

  17. Study of the Relap5/mod3.2 wall heat flux partitioning model

    International Nuclear Information System (INIS)

    Hari, S.; Hassan, Y.A.

    2001-01-01

    The performance of the subcooled boiling model adapted in RELAP5/MOD3.2 computer code has been assessed in detail for low-pressure conditions and it has been found that the void fraction profile is under-predicted. In general, any subcooled boiling model is composed of individual sub-models that account for the different physical mechanism that govern the overall process, as the wall vapor generation, interfacial shear and condensation etc. The wall heat flux partitioning model is one of the important sub-models that is a constituent of any subcooled boiling model. The function of this model is to apportion the wall heat flux to the different components (as the single/two phase fluid or bubble), as the case may be, in a two-phase flow-boiling scenario adjacent to a heated wall. The ''pumping factor'' approach is generally followed by most of the wall heat flux partitioning models, for partitioning the wall heat flux. In this work, the wall heat flux partitioning model of RELAP5/MOD3.2 computer code is studied; in particular, the ''pumping factor'' formulation in the present code version is assessed for its performance under low-pressure conditions. In addition, three different ''pumping factor'' formulations available in the literature have been introduced into the RELAP5/MOD3.2 code. Simulations of two low-pressure subcooled flow boiling experiments were performed with the refined code versions to determine the appropriate pumping factor to be used under these conditions. (author)

  18. The calculation of isotopic partition function ratios by a perturbation theory technique

    International Nuclear Information System (INIS)

    Singh, G.; Wolfsberg, M.

    1975-01-01

    The vibrational Hamiltonian of a molecule in the harmonic approximation, H = (1/2) Σ (g/subi/jp/subi/p/subj/ + f/subi/jq/subi/q/subj/), has been divided into a diagonal part (terms with i=j) and an off-diagonal part (inot-equalj), which is regarded as the perturbation. The vibrational partition function of the molecule is then calculated by Schwinger perturbation theory as the partition function of the unperturbed problem, corresponding to a collection of oscillators with frequencies 2πν/subi/' = (f/subi/ig/subi/i)/sup 1 / 2 /, plus perturbation correction terms which are calculated to second order. With the usual assumptions of isotope effect calculations that the molecular translations and rotations are classical and separable from the vibrations, the perturbation formulation of the vibrational partition function is easily transformed into a perturbation theory formulation of (reduced) isotopic partition function ratios. If, for example, the molecular potential function is expressed in terms of the displacements of bond stretches and bond angle bends from their respective equilibrium values, the unperturbed partition function ratio corresponds to the isotope effect expected for noninteracting bond-stretch and bond-angle-bend oscillators. Detailed comparison is made for a number of molecular systems of perturbation theory calculations of partition functions and isotopic partition function ratios with exact calculations carried out by actually obtaining the normal mode vibrational frequencies of the vibrational Hamiltonian. Good agreement is found. The utility of the perturbation theory formulation resides in the fact that it permits one to look at isotope effects in a very simple manner; some demonstrations are given

  19. Wigner expansions for partition functions of nonrelativistic and relativistic oscillator systems

    Science.gov (United States)

    Zylka, Christian; Vojta, Guenter

    1993-01-01

    The equilibrium quantum statistics of various anharmonic oscillator systems including relativistic systems is considered within the Wigner phase space formalism. For this purpose the Wigner series expansion for the partition function is generalized to include relativistic corrections. The new series for partition functions and all thermodynamic potentials yield quantum corrections in terms of powers of h(sup 2) and relativistic corrections given by Kelvin functions (modified Hankel functions) K(sub nu)(mc(sup 2)/kT). As applications, the symmetric Toda oscillator, isotonic and singular anharmonic oscillators, and hindered rotators, i.e. oscillators with cosine potential, are addressed.

  20. Coexistence via resource partitioning fails to generate an increase in community function.

    Directory of Open Access Journals (Sweden)

    John P DeLong

    Full Text Available Classic ecological theory suggests that resource partitioning facilitates the coexistence of species by reducing inter-specific competition. A byproduct of this process is an increase in overall community function, because a greater spectrum of resources can be used. In contrast, coexistence facilitated by neutral mechanisms is not expected to increase function. We studied coexistence in laboratory microcosms of the bactivorous ciliates Paramecium aurelia and Colpidium striatum to understand the relationship between function and coexistence mechanism. We quantified population and community-level function (biomass and oxygen consumption, competitive interactions, and resource partitioning. The two ciliates partitioned their bacterial resource along a size axis, with the larger ciliate consuming larger bacteria than the smaller ciliate. Despite this, there was no gain in function at the community level for either biomass or oxygen consumption, and competitive effects were symmetrical within and between species. Because other potential coexistence mechanisms can be ruled out, it is likely that inter-specific interference competition diminished the expected gain in function generated by resource partitioning, leading to a system that appeared competitively neutral even when structured by niche partitioning. We also analyzed several previous studies where two species of protists coexisted and found that the two-species communities showed a broad range of biomass levels relative to the single-species states.

  1. Partition function expansion on region graphs and message-passing equations

    International Nuclear Information System (INIS)

    Zhou, Haijun; Wang, Chuang; Xiao, Jing-Qing; Bi, Zedong

    2011-01-01

    Disordered and frustrated graphical systems are ubiquitous in physics, biology, and information science. For models on complete graphs or random graphs, deep understanding has been achieved through the mean-field replica and cavity methods. But finite-dimensional 'real' systems remain very challenging because of the abundance of short loops and strong local correlations. A statistical mechanics theory is constructed in this paper for finite-dimensional models based on the mathematical framework of the partition function expansion and the concept of region graphs. Rigorous expressions for the free energy and grand free energy are derived. Message-passing equations on the region graph, such as belief propagation and survey propagation, are also derived rigorously. (letter)

  2. The star-triangle relation, lens partition function, and hypergeometric sum/integrals

    Energy Technology Data Exchange (ETDEWEB)

    Gahramanov, Ilmar [Max Planck Institute for Gravitational Physics (Albert Einstein Institute),Am Mühlenberg 1, D-14476 Potsdam (Germany); Institute of Radiation Problems ANAS,B. Vahabzade 9, AZ1143 Baku (Azerbaijan); Department of Mathematics, Khazar University,Mehseti St. 41, AZ1096 Baku (Azerbaijan); Kels, Andrew P. [Institute of Physics, University of Tokyo,Komaba, Tokyo 153-8902 (Japan)

    2017-02-08

    The aim of the present paper is to consider the hyperbolic limit of an elliptic hypergeometric sum/integral identity, and associated lattice model of statistical mechanics previously obtained by the second author. The hyperbolic sum/integral identity obtained from this limit, has two important physical applications in the context of the so-called gauge/YBE correspondence. For statistical mechanics, this identity is equivalent to a new solution of the star-triangle relation form of the Yang-Baxter equation, that directly generalises the Faddeev-Volkov models to the case of discrete and continuous spin variables. On the gauge theory side, this identity represents the duality of lens (S{sub b}{sup 3}/ℤ{sub r}) partition functions, for certain three-dimensional N=2 supersymmetric gauge theories.

  3. The star-triangle relation, lens partition function, and hypergeometric sum/integrals

    International Nuclear Information System (INIS)

    Gahramanov, Ilmar; Kels, Andrew P.

    2017-01-01

    The aim of the present paper is to consider the hyperbolic limit of an elliptic hypergeometric sum/integral identity, and associated lattice model of statistical mechanics previously obtained by the second author. The hyperbolic sum/integral identity obtained from this limit, has two important physical applications in the context of the so-called gauge/YBE correspondence. For statistical mechanics, this identity is equivalent to a new solution of the star-triangle relation form of the Yang-Baxter equation, that directly generalises the Faddeev-Volkov models to the case of discrete and continuous spin variables. On the gauge theory side, this identity represents the duality of lens (S b 3 /ℤ r ) partition functions, for certain three-dimensional N=2 supersymmetric gauge theories.

  4. Quantum Mechanical Single Molecule Partition Function from PathIntegral Monte Carlo Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Chempath, Shaji; Bell, Alexis T.; Predescu, Cristian

    2006-10-01

    An algorithm for calculating the partition function of a molecule with the path integral Monte Carlo method is presented. Staged thermodynamic perturbation with respect to a reference harmonic potential is utilized to evaluate the ratio of partition functions. Parallel tempering and a new Monte Carlo estimator for the ratio of partition functions are implemented here to achieve well converged simulations that give an accuracy of 0.04 kcal/mol in the reported free energies. The method is applied to various test systems, including a catalytic system composed of 18 atoms. Absolute free energies calculated by this method lead to corrections as large as 2.6 kcal/mol at 300 K for some of the examples presented.

  5. Quantum Statistical Mechanics, L-Series and Anabelian Geometry I: Partition Functions

    NARCIS (Netherlands)

    Marcolli, Matilde; Cornelissen, Gunther

    2014-01-01

    The zeta function of a number field can be interpreted as the partition function of an associated quantum statistical mechanical (QSM) system, built from abelian class field theory. We introduce a general notion of isomorphism of QSM-systems and prove that it preserves (extremal) KMS equilibrium

  6. Conformal partition functions of critical percolation from D 3 thermodynamic Bethe Ansatz equations

    Science.gov (United States)

    Morin-Duchesne, Alexi; Klümper, Andreas; Pearce, Paul A.

    2017-08-01

    Using the planar Temperley-Lieb algebra, critical bond percolation on the square lattice can be reformulated as a loop model. In this form, it is incorporated as {{ L}}{{ M}}(2, 3) in the Yang-Baxter integrable family of logarithmic minimal models {{ L}}{{ M}}( p, p\\prime) . We consider this model of percolation in the presence of boundaries and with periodic boundary conditions. Inspired by Kuniba, Sakai and Suzuki, we rewrite the recently obtained infinite Y-system of functional equations. In this way, we obtain nonlinear integral equations in the form of a closed finite set of TBA equations described by a D 3 Dynkin diagram. Following the methods of Klümper and Pearce, we solve the TBA equations for the conformal finite-size corrections. For the ground states of the standard modules on the strip, these agree with the known central charge c  =  0 and conformal weights Δ1, s for \\renewcommand≥≥slant} s\\in {{ Z}≥slant 1} with Δr, s=\\big((3r-2s){\\hspace{0pt}}^2-1\\big)/24 . For the periodic case, the finite-size corrections agree with the conformal weights Δ0, s , Δ1, s with \\renewcommand{≥{≥slant} s\\in\\frac{1}{2}{{ Z}≥slant 0} . These are obtained analytically using Rogers dilogarithm identities. We incorporate all finite excitations by formulating empirical selection rules for the patterns of zeros of all the eigenvalues of the standard modules. We thus obtain the conformal partition functions on the cylinder and the modular invariant partition function (MIPF) on the torus. By applying q-binomial and q-Narayana identities, it is shown that our refined finitized characters on the strip agree with those of Pearce, Rasmussen and Zuber. For percolation on the torus, the MIPF is a non-diagonal sesquilinear form in affine u(1) characters given by the u(1) partition function Z2, 3(q)=Z2, 3{Circ}(q) . The u(1) operator content is {{ N}}Δ, \\barΔ=1 for Δ=\\barΔ=-\\frac{1}{24}, \\frac{35}{24} and {{ N}}Δ, \\barΔ=2 for

  7. Quantum corrections to Bekenstein–Hawking black hole entropy and gravity partition functions

    International Nuclear Information System (INIS)

    Bytsenko, A.A.; Tureanu, A.

    2013-01-01

    Algebraic aspects of the computation of partition functions for quantum gravity and black holes in AdS 3 are discussed. We compute the sub-leading quantum corrections to the Bekenstein–Hawking entropy. It is shown that the quantum corrections to the classical result can be included systematically by making use of the comparison with conformal field theory partition functions, via the AdS 3 /CFT 2 correspondence. This leads to a better understanding of the role of modular and spectral functions, from the point of view of the representation theory of infinite-dimensional Lie algebras. Besides, the sum of known quantum contributions to the partition function can be presented in a closed form, involving the Patterson–Selberg spectral function. These contributions can be reproduced in a holomorphically factorized theory whose partition functions are associated with the formal characters of the Virasoro modules. We propose a spectral function formulation for quantum corrections to the elliptic genus from supergravity states

  8. Analytical results for a stochastic model of gene expression with arbitrary partitioning of proteins

    Science.gov (United States)

    Tschirhart, Hugo; Platini, Thierry

    2018-05-01

    In biophysics, the search for analytical solutions of stochastic models of cellular processes is often a challenging task. In recent work on models of gene expression, it was shown that a mapping based on partitioning of Poisson arrivals (PPA-mapping) can lead to exact solutions for previously unsolved problems. While the approach can be used in general when the model involves Poisson processes corresponding to creation or degradation, current applications of the method and new results derived using it have been limited to date. In this paper, we present the exact solution of a variation of the two-stage model of gene expression (with time dependent transition rates) describing the arbitrary partitioning of proteins. The methodology proposed makes full use of the PPA-mapping by transforming the original problem into a new process describing the evolution of three biological switches. Based on a succession of transformations, the method leads to a hierarchy of reduced models. We give an integral expression of the time dependent generating function as well as explicit results for the mean, variance, and correlation function. Finally, we discuss how results for time dependent parameters can be extended to the three-stage model and used to make inferences about models with parameter fluctuations induced by hidden stochastic variables.

  9. Model-Based Recursive Partitioning for Subgroup Analyses.

    Science.gov (United States)

    Seibold, Heidi; Zeileis, Achim; Hothorn, Torsten

    2016-05-01

    The identification of patient subgroups with differential treatment effects is the first step towards individualised treatments. A current draft guideline by the EMA discusses potentials and problems in subgroup analyses and formulated challenges to the development of appropriate statistical procedures for the data-driven identification of patient subgroups. We introduce model-based recursive partitioning as a procedure for the automated detection of patient subgroups that are identifiable by predictive factors. The method starts with a model for the overall treatment effect as defined for the primary analysis in the study protocol and uses measures for detecting parameter instabilities in this treatment effect. The procedure produces a segmented model with differential treatment parameters corresponding to each patient subgroup. The subgroups are linked to predictive factors by means of a decision tree. The method is applied to the search for subgroups of patients suffering from amyotrophic lateral sclerosis that differ with respect to their Riluzole treatment effect, the only currently approved drug for this disease.

  10. Partitioning of functional and taxonomic diversity in surface-associated microbial communities.

    Science.gov (United States)

    Roth-Schulze, Alexandra J; Zozaya-Valdés, Enrique; Steinberg, Peter D; Thomas, Torsten

    2016-12-01

    Surfaces, including those submerged in the marine environment, are subjected to constant interactions and colonisation by surrounding microorganisms. The principles that determine the assembly of those epibiotic communities are however poorly understood. In this study, we employed a hierarchical design to assess the functionality and diversity of microbial communities on different types of host surfaces (e.g. macroalgae, seagrasses). We found that taxonomic diversity was unique to each type of host, but that the majority of functions (> 95%) could be found in any given surface community, suggesting a high degree of functional redundancy. However, some community functions were enriched on certain surfaces and were related to host-specific properties (e.g. the degradation of specific polysaccharides). Together these observations support a model, whereby communities on surfaces are assembled from guilds of microorganisms with a functionality that is partitioned into general properties for a surface-associated life-style, but also specific features that mediate host-specificity. © 2016 Society for Applied Microbiology and John Wiley & Sons Ltd.

  11. Modelling of nutrient partitioning in growing pigs to predict their anatomical body composition. 1. Model description

    NARCIS (Netherlands)

    Halas, V.; Dijkstra, J.; Babinszky, L.; Verstegen, M.W.A.; Gerrits, W.J.J.

    2004-01-01

    A dynamic mechanistic model was developed for growing and fattening pigs. The aim of the model was to predict growth rate and the chemical and anatomical body compositions from the digestible nutrient intake of gilts (20-105 kg live weight). The model represents the partitioning of digestible

  12. Partitioning heritability by functional category using GWAS summary statistics

    DEFF Research Database (Denmark)

    Finucane, Hilary K.; Bulik-Sullivan, Brendan; Gusev, Alexander

    2015-01-01

    Recent work has demonstrated that some functional categories of the genome contribute disproportionately to the heritability of complex diseases. Here we analyze a broad set of functional elements, including cell type-specific elements, to estimate their polygenic contributions to heritability in...

  13. Modelling Chemical Equilibrium Partitioning with the GEMS-PSI Code

    Energy Technology Data Exchange (ETDEWEB)

    Kulik, D.; Berner, U.; Curti, E

    2004-03-01

    Sorption, co-precipitation and re-crystallisation are important retention processes for dissolved contaminants (radionuclides) migrating through the sub-surface. The retention of elements is usually measured by empirical partition coefficients (Kd), which vary in response to many factors: temperature, solid/liquid ratio, total contaminant loading, water composition, host-mineral composition, etc. The Kd values can be predicted for in-situ conditions from thermodynamic modelling of solid solution, aqueous solution or sorption equilibria, provided that stoichiometry, thermodynamic stability and mixing properties of the pure components are known (Example 1). Unknown thermodynamic properties can be retrieved from experimental Kd values using inverse modelling techniques (Example 2). An efficient, advanced tool for performing both tasks is the Gibbs Energy Minimization (GEM) approach, implemented in the user-friendly GEM-Selector (GEMS) program package, which includes the Nagra-PSI chemical thermodynamic database. The package is being further developed at PSI and used extensively in studies relating to nuclear waste disposal. (author)

  14. Modelling Chemical Equilibrium Partitioning with the GEMS-PSI Code

    International Nuclear Information System (INIS)

    Kulik, D.; Berner, U.; Curti, E.

    2004-01-01

    Sorption, co-precipitation and re-crystallisation are important retention processes for dissolved contaminants (radionuclides) migrating through the sub-surface. The retention of elements is usually measured by empirical partition coefficients (Kd), which vary in response to many factors: temperature, solid/liquid ratio, total contaminant loading, water composition, host-mineral composition, etc. The Kd values can be predicted for in-situ conditions from thermodynamic modelling of solid solution, aqueous solution or sorption equilibria, provided that stoichiometry, thermodynamic stability and mixing properties of the pure components are known (Example 1). Unknown thermodynamic properties can be retrieved from experimental Kd values using inverse modelling techniques (Example 2). An efficient, advanced tool for performing both tasks is the Gibbs Energy Minimization (GEM) approach, implemented in the user-friendly GEM-Selector (GEMS) program package, which includes the Nagra-PSI chemical thermodynamic database. The package is being further developed at PSI and used extensively in studies relating to nuclear waste disposal. (author)

  15. Partition function zeros for the one-dimensional ordered plasma in Dirichlet boundary conditions

    International Nuclear Information System (INIS)

    Roumeliotis, J.; Smith, E.R.

    1992-01-01

    The authors consider the grand canonical partition function for the ordered one-dimensional, two-component plasma at fugacity ζ in an applied electric field E with Dirichlet boundary conditions. The system has a phase transition from a low-coupling phase with equally spaced particles to a high-coupling phase with particles clustered into dipolar pairs. An exact expression for the partition function is developed. In zero applied field the zeros in the ζ plane occupy the imaginary axis from -i∞ to -iζ c and iζ c to i∞ for some ζ c . They also occupy the diamond shape of four straight lines from ±iζ c to ζ c and from ±iζ c to -ζ c . The fugacity ζ acts like a temperature or coupling variable. The symmetry-breaking field is the applied electric field E. A finite-size scaling representation for the partition in scaled coupling and scaled electric field is developed. It has standard mean field form. When the scaled coupling is real, the zeros in the scaled field lie on the imaginary axis and pinch the real scaled field axis as the scaled coupling increases. The scaled partition function considered as a function of two complex variables, scaled coupling and scaled field, has zeros on a two-dimensional surface in a domain of four real variables. A numerical discussion of some of the properties of this surface is presented

  16. On the definition of the partition function in quantum Regge calculus

    International Nuclear Information System (INIS)

    Nishimura, Jun

    1995-01-01

    We argue that the definition of the partition function used recently to demonstrate the failure of Regge calculus is wrong. In fact, in the one-dimensional case, we show that there is a more natural definition, with which one can reproduce the correct results. (author)

  17. Grand partition function in field theory with applications to sine-Gordon field theory

    International Nuclear Information System (INIS)

    Samuel, S.

    1978-01-01

    Certain relativistic field theories are shown to be equivalent to the grand partition function of an interacting gas. Using the physical insight given by this analogy many field-theoretic results are obtained, particularly for the sine-Gordon field theory. The main results are enumerated in the summary to which the reader is referred

  18. How Incorrect Is the Classical Partition Function for the Ideal Gas?

    Science.gov (United States)

    Kroemer, Herbert

    1980-01-01

    Discussed is the classical partition function for the ideal gas and how it differs from the exact value for bosons or fermions in the classical regime. The differences in the two values are negligible hence the classical treatment leads in the end to correct answers for all observables. (Author/DS)

  19. Functional integral representation of the nuclear many-body grand partition function

    International Nuclear Information System (INIS)

    Kerman, A.K.; Troudet, T.

    1984-01-01

    A local functional integral formulation of the nuclear many-body problem is proposed which is a generalization of the method previously developed. Its most interesting feature is that it allows an expansion of the many-body evolution operator around any arbitrary mean-field which takes into account the pairing correlations between the nucleons. This is explicitly illustrated for the nuclear many-body grand partition function for which special attention is paid to the static temperature-dependent Hartree-Fock-Bogolyubov (H.F.B.) approximation. Indeed, the temperature-dependent H.F.B. configuration appears to be the optimal choice from a variational point of view among all the possible independent quasi-particle motion approximations. An analytic approximation of the energy level density rho (E,A) is given using explicitly the arbitrariness in the choice of the mean-field and a possible numerical application is proposed. Finally, a new compact formulation of our functional integral that might be useful for future Monte Carlo calculations is proposed

  20. Note on Nahm's partition function of the dual spectrum II

    CERN Document Server

    Minimi, M

    1977-01-01

    For pt.I see CERN publication TH2240. In part I, in considering the Nahm dual resonance mass spectra theory, it was noticed that there is another modular form; a generating function that transforms automorphically under T:w to -1/w and would realize the Veneziano dualism. The group structure associated with this form is studied since it appears, to the authors, to be more natural than Nahm's original. (6 refs).

  1. Use of JANAF Tables in Equilibrium Calculations and Partition Function Calculations for an Undergraduate Physical Chemistry Course

    Science.gov (United States)

    Cleary, David A.

    2014-01-01

    The usefulness of the JANAF tables is demonstrated with specific equilibrium calculations. An emphasis is placed on the nature of standard chemical potential calculations. Also, the use of the JANAF tables for calculating partition functions is examined. In the partition function calculations, the importance of the zero of energy is highlighted.

  2. Generalized finite polynomial approximation (WINIMAX) to the reduced partition function of isotopic molecules

    International Nuclear Information System (INIS)

    Lee, M.W.; Bigeleisen, J.

    1978-01-01

    The MINIMAX finite polynomial approximation to an arbitrary function has been generalized to include a weighting function (WINIMAX). It is suggested that an exponential is a reasonable weighting function for the logarithm of the reduced partition function of a harmonic oscillator. Comparison of the error function for finite orthogonal polynomial (FOP), MINIMAX, and WINIMAX expansions of the logarithm of the reduced vibrational partition function show WINIMAX to be the best of the three approximations. A condensed table of WINIMAX coefficients is presented. The FOP, MINIMAX, and WINIMAX approximations are compared with exact calculations of the logarithm of the reduced partition function ratios for isotopic substitution in H 2 O, CH 4 , CH 2 O, C 2 H 4 , and C 2 H 6 at 300 0 K. Both deuterium and heavy atom isotope substitution are studied. Except for a third order expansion involving deuterium substitution, the WINIMAX method is superior to FOP and MINIMAX. At the level of a second order expansion WINIMAX approximations to ln(s/s')f are good to 2.5% and 6.5% for deuterium and heavy atom substitution, respectively

  3. Development of particle multiplicity distributions using a general form of the grand canonical partition function

    International Nuclear Information System (INIS)

    Lee, S.J.; Mekjian, A.Z.

    2004-01-01

    Various phenomenological models of particle multiplicity distributions are discussed using a general form of a unified model which is based on the grand canonical partition function and Feynman's path integral approach to statistical processes. These models can be written as special cases of a more general distribution which has three control parameters which are a,x,z. The relation to these parameters to various physical quantities are discussed. A connection of the parameter a with Fisher's critical exponent τ is developed. Using this grand canonical approach, moments, cumulants and combinants are discussed and a physical interpretation of the combinants are given and their behavior connected to the critical exponent τ. Various physical phenomena such as hierarchical structure, void scaling relations, Koba-Nielson-Olesen or KNO scaling features, clan variables, and branching laws are shown in terms of this general approach. Several of these features which were previously developed in terms of the negative binomial distribution are found to be more general. Both hierarchical structure and void scaling relations depend on the Fisher exponent τ. Applications of our approach to the charged particle multiplicity distribution in jets of L3 and H1 data are given

  4. Supersymmetric partition functions and the three-dimensional A-twist

    Energy Technology Data Exchange (ETDEWEB)

    Closset, Cyril [Theory Department, CERN,CH-1211, Geneva 23 (Switzerland); Kim, Heeyeon [Perimeter Institute for Theoretical Physics,31 Caroline Street North, Waterloo, N2L 2Y5, Ontario (Canada); Willett, Brian [Kavli Institute for Theoretical Physics, University of California,Santa Barbara, CA 93106 (United States)

    2017-03-14

    We study three-dimensional N=2 supersymmetric gauge theories on M{sub g,p}, an oriented circle bundle of degree p over a closed Riemann surface, Σ{sub g}. We compute the M{sub g,p} supersymmetric partition function and correlation functions of supersymmetric loop operators. This uncovers interesting relations between observables on manifolds of different topologies. In particular, the familiar supersymmetric partition function on the round S{sup 3} can be understood as the expectation value of a so-called “fibering operator” on S{sup 2}×S{sup 1} with a topological twist. More generally, we show that the 3d N=2 supersymmetric partition functions (and supersymmetric Wilson loop correlation functions) on M{sub g,p} are fully determined by the two-dimensional A-twisted topological field theory obtained by compactifying the 3d theory on a circle. We give two complementary derivations of the result. We also discuss applications to F-maximization and to three-dimensional supersymmetric dualities.

  5. Unique Path Partitions

    DEFF Research Database (Denmark)

    Bessenrodt, Christine; Olsson, Jørn Børling; Sellers, James A.

    2013-01-01

    We give a complete classification of the unique path partitions and study congruence properties of the function which enumerates such partitions.......We give a complete classification of the unique path partitions and study congruence properties of the function which enumerates such partitions....

  6. Partition functions with spin in AdS2 via quasinormal mode methods

    International Nuclear Information System (INIS)

    Keeler, Cynthia; Lisbão, Pedro; Ng, Gim Seng

    2016-01-01

    We extend the results of http://dx.doi.org/10.1007/JHEP06(2014)099, computing one loop partition functions for massive fields with spin half in AdS 2 using the quasinormal mode method proposed by Denef, Hartnoll, and Sachdev http://dx.doi.org/10.1088/0264-9381/27/12/125001. We find the finite representations of SO(2,1) for spin zero and spin half, consisting of a highest weight state |h〉 and descendants with non-unitary values of h. These finite representations capture the poles and zeroes of the one loop determinants. Together with the asymptotic behavior of the partition functions (which can be easily computed using a large mass heat kernel expansion), these are sufficient to determine the full answer for the one loop determinants. We also discuss extensions to higher dimensional AdS 2n and higher spins.

  7. Partition functions of web diagrams with an O7{sup −}-plane

    Energy Technology Data Exchange (ETDEWEB)

    Hayashi, Hirotaka [Tokai University, 4-1-1 Kitakaname,Hiratsuka, Kanagawa 259-1292 (Japan); Departamento de Física Teórica and Instituto de Física Teórica UAM/CSIC,Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain); Zoccarato, Gianluca [Departamento de Física Teórica and Instituto de Física Teórica UAM/CSIC,Universidad Autónoma de Madrid, Cantoblanco, 28049 Madrid (Spain)

    2017-03-22

    We consider the computation of the topological string partition function for 5-brane web diagrams with an O7{sup −}-plane. Since upon quantum resolution of the orientifold plane these diagrams become non-toric web diagrams without the orientifold we are able to apply the topological vertex to obtain the Nekrasov partition function of the corresponding 5d theory. We apply this procedure to the case of 5d SU(N) theories with one hypermultiplet in the antisymmetric representation and to the case of 5d pure USp(2N) theories. For these cases we discuss the dictionary between parameters and moduli of the 5d gauge theory and lengths of 5-branes in the web diagram and moreover we perform comparison of the results obtained via application of the topological vertex and the one obtained via localisation techniques, finding in all instances we consider perfect agreement.

  8. Partition function as a Laplace transform of a positive measure in the strength parameter

    International Nuclear Information System (INIS)

    Bessis, D.

    1980-01-01

    We shall consider the partition function Z(lambda), of an N-body system whose Hamiltonian reads: H = H/sub O/ + lambdaH/sub I/. H/sub O/ is an exactly solvable Hamiltonian, one for which, for example all thermodynamical quantities can be calculated. H/sub I/ is the perturbation. We are interested in the analytic properties in the strength parameter lambda of the partition function Z(lambda) = Tr e/sup -ν[H 0 + lambdaH/sub I/]/ where for convenience the volume V and inverse temperature ν dependence has been suppressed on the left hand side. The representation for Z(lambda) is given and discussed, and applications are described

  9. Partition functions with spin in AdS{sub 2} via quasinormal mode methods

    Energy Technology Data Exchange (ETDEWEB)

    Keeler, Cynthia [Niels Bohr International Academy, Niels Bohr Institute,University of Copenhagen, Blegdamsvej 17, DK 2100, Copenhagen (Denmark); Lisbão, Pedro [Department of Physics, University of Michigan,Ann Arbor, MI-48109 (United States); Ng, Gim Seng [Department of Physics, McGill University,Montréal, QC H3A 2T8 (Canada)

    2016-10-12

    We extend the results of http://dx.doi.org/10.1007/JHEP06(2014)099, computing one loop partition functions for massive fields with spin half in AdS{sub 2} using the quasinormal mode method proposed by Denef, Hartnoll, and Sachdev http://dx.doi.org/10.1088/0264-9381/27/12/125001. We find the finite representations of SO(2,1) for spin zero and spin half, consisting of a highest weight state |h〉 and descendants with non-unitary values of h. These finite representations capture the poles and zeroes of the one loop determinants. Together with the asymptotic behavior of the partition functions (which can be easily computed using a large mass heat kernel expansion), these are sufficient to determine the full answer for the one loop determinants. We also discuss extensions to higher dimensional AdS{sub 2n} and higher spins.

  10. QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations.

    Science.gov (United States)

    Toropov, Andrey A; Toropova, Alla P; Raska, Ivan; Benfenati, Emilio

    2010-04-01

    Three different splits into the subtraining set (n = 22), the set of calibration (n = 21), and the test set (n = 12) of 55 antineoplastic agents have been examined. By the correlation balance of SMILES-based optimal descriptors quite satisfactory models for the octanol/water partition coefficient have been obtained on all three splits. The correlation balance is the optimization of a one-variable model with a target function that provides both the maximal values of the correlation coefficient for the subtraining and calibration set and the minimum of the difference between the above-mentioned correlation coefficients. Thus, the calibration set is a preliminary test set. Copyright (c) 2009 Elsevier Masson SAS. All rights reserved.

  11. A new modeling and solution approach for the number partitioning problem

    Directory of Open Access Journals (Sweden)

    Bahram Alidaee

    2005-01-01

    Full Text Available The number partitioning problem has proven to be a challenging problem for both exact and heuristic solution methods. We present a new modeling and solution approach that consists of recasting the problem as an unconstrained quadratic binary program that can be solved by efficient metaheuristic methods. Our approach readily accommodates both the common two-subset partition case as well as the more general case of multiple subsets. Preliminary computational experience is presented illustrating the attractiveness of the method.

  12. Illustrating sensitivity in environmental fate models using partitioning maps - application to selected contaminants

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, T.; Wania, F. [Univ. of Toronto at Scarborough - DPES, Toronto (Canada)

    2004-09-15

    Generic environmental multimedia fate models are important tools in the assessment of the impact of organic pollutants. Because of limited possibilities to evaluate generic models by comparison with measured data and the increasing regulatory use of such models, uncertainties of model input and output are of considerable concern. This led to a demand for sensitivity and uncertainty analyses for the outputs of environmental fate models. Usually, variations of model predictions of the environmental fate of organic contaminants are analyzed for only one or at most a few selected chemicals, even though parameter sensitivity and contribution to uncertainty are widely different for different chemicals. We recently presented a graphical method that allows for the comprehensive investigation of model sensitivity and uncertainty for all neutral organic chemicals simultaneously. This is achieved by defining a two-dimensional hypothetical ''chemical space'' as a function of the equilibrium partition coefficients between air, water, and octanol (K{sub OW}, K{sub AW}, K{sub OA}), and plotting sensitivity and/or uncertainty of a specific model result to each input parameter as function of this chemical space. Here we show how such sensitivity maps can be used to quickly identify the variables with the highest influence on the environmental fate of selected, chlorobenzenes, polychlorinated biphenyls (PCBs), polycyclic aromatic hydrocarbons (PAHs), hexachlorocyclohexanes (HCHs) and brominated flame retardents (BFRs).

  13. Plane partition vesicles

    International Nuclear Information System (INIS)

    Rensburg, E J Janse van; Ma, J

    2006-01-01

    We examine partitions and their natural three-dimensional generalizations, plane partitions, as models of vesicles undergoing an inflation-deflation transition. The phase diagrams of these models include a critical point corresponding to an inflation-deflation transition, and exhibits multicritical scaling in the vicinity of a multicritical point located elsewhere on the critical curve. We determine the locations of the multicritical points by analysing the generating functions using analytic and numerical means. In addition, we determine the numerical values of the multicritical scaling exponents associated with the multicritical scaling regimes in these models

  14. Some application of the model of partition points on a one-dimensional lattice

    International Nuclear Information System (INIS)

    Mejdani, R.

    1991-07-01

    We have shown that by using a model of the gas of partition points on one-dimensional lattice, we can find some results about the enzyme kinetics or the average domain-size, which we have obtained before by using a correlated Walks' theory or a probabilistic (combinatoric) way. We have discussed also the problem related with the spread of an infection of disease and the stochastic model of partition points. We think that this model, as a very simple model and mathematically transparent, can be advantageous for other theoretical investigations in chemistry or modern biology. (author). 14 refs, 6 figs, 1 tab

  15. Modeling of soft impingement effect during solid-state partitioning phase transformations in binary alloys

    NARCIS (Netherlands)

    Chen, H.; Van der Zwaag, S.

    2010-01-01

    The soft impingement effect at the later stage of partitioning phase transformations has been modeled both for the diffusion-controlled growth model and for the mixed-mode model. Instead of the linear and exponential approximations for the concentration gradient in front of the interface used in the

  16. Loop averages and partition functions in U(N) gauge theory on two-dimensional manifolds

    International Nuclear Information System (INIS)

    Rusokov, B.Y.

    1990-01-01

    Loop averages and partition functions in the U(N) gauge theory are calculated for loops without intersections on arbitrary two-dimensional manifolds including non-orientable one. The physical quantities are directly expressed through geometrical characteristics of a manifold (areas enclosed by loops and the genus) and gauge group parameters (Casimir eigenvalues and dimensions of the irreducible representations). It is shown that, from the physical quantities' point of view, non-orientability of the manifold is equivalent to its non-compactness

  17. Partition function of a chiral boson on a 2-torus from the Floreanini–Jackiw Lagrangian

    International Nuclear Information System (INIS)

    Chen, Wei-Ming; Ho, Pei-Ming; Kao, Hsien-chung; Khoo, Fech Scen; Matsuo, Yutaka

    2014-01-01

    We revisit the problem of quantizing a chiral boson on a torus. The conventional approach is to extract the partition function of a chiral boson from the path integral of a non-chiral boson. Instead we compute it directly from the chiral boson Lagrangian of Floreanini and Jackiw modified by topological terms involving an auxiliary field. A careful analysis of the gauge-fixing condition for the extra gauge symmetry reproduces the correct results for the free chiral boson, and has the advantage of being applicable to a wider class of interacting chiral boson theories

  18. AGT, N-Burge partitions and W{sub N} minimal models

    Energy Technology Data Exchange (ETDEWEB)

    Belavin, Vladimir [I.E. Tamm Department of Theoretical Physics, P N Lebedev Physical Institute,Leninsky Avenue 53, 119991 Moscow (Russian Federation); Department of Quantum Physics, Institute for Information Transmission Problems,Bolshoy Karetny per. 19, 127994 Moscow (Russian Federation); Foda, Omar [Mathematics and Statistics, University of Melbourne,Parkville, VIC 3010 (Australia); Santachiara, Raoul [Laboratoire de Physique Théorique et Modèles Statistiques, Université Paris-Sud,CNRS UMR 8626, Bat. 100, 91405 Orsay cedex (France)

    2015-10-12

    Let B{sub N,n} {sup p,} {sup p{sup ′,}} {sup H} be a conformal block, with n consecutive channels χ{sub ι}, ι=1,⋯,n, in the conformal field theory M{sub N} {sup p,} {sup p{sup ′}} × M{sup H}, where M{sub N} {sup p,} {sup p{sup ′}} is a W{sub N} minimal model, generated by chiral spin-2, ⋯, spin-N currents, and labeled by two co-prime integers p and p{sup ′}, 1partition functions without modification to compute B{sub N,n} {sup p,} {sup p{sup ′,H}}, leads to ill-defined expressions. We show that restricting the states that flow in the channels χ{sub ι}, ι=1,⋯,n, to states labeled by N partitions that we call N-Burge partitions, that satisfy conditions that we call N-Burge conditions, leads to well-defined expressions that we propose to identify with B{sub N,n} {sup p,} {sup p{sup ′,}} {sup H}. We check our identification by showing that a non-trivial conformal block that we compute, using the N-Burge conditions satisfies the expected differential equation. Further, we check that the generating functions of triples of Young diagrams that obey 3-Burge conditions coincide with characters of degenerate W{sub 3} irreducible highest weight representations.

  19. A New Model for Optimal Mechanical and Thermal Performance of Cement-Based Partition Wall.

    Science.gov (United States)

    Huang, Shiping; Hu, Mengyu; Huang, Yonghui; Cui, Nannan; Wang, Weifeng

    2018-04-17

    The prefabricated cement-based partition wall has been widely used in assembled buildings because of its high manufacturing efficiency, high-quality surface, and simple and convenient construction process. In this paper, a general porous partition wall that is made from cement-based materials was proposed to meet the optimal mechanical and thermal performance during transportation, construction and its service life. The porosity of the proposed partition wall is formed by elliptic-cylinder-type cavities. The finite element method was used to investigate the mechanical and thermal behaviour, which shows that the proposed model has distinct advantages over the current partition wall that is used in the building industry. It is found that, by controlling the eccentricity of the elliptic-cylinder cavities, the proposed wall stiffness can be adjusted to respond to the imposed loads and to improve the thermal performance, which can be used for the optimum design. Finally, design guidance is provided to obtain the optimal mechanical and thermal performance. The proposed model could be used as a promising candidate for partition wall in the building industry.

  20. A New Model for Optimal Mechanical and Thermal Performance of Cement-Based Partition Wall

    Directory of Open Access Journals (Sweden)

    Shiping Huang

    2018-04-01

    Full Text Available The prefabricated cement-based partition wall has been widely used in assembled buildings because of its high manufacturing efficiency, high-quality surface, and simple and convenient construction process. In this paper, a general porous partition wall that is made from cement-based materials was proposed to meet the optimal mechanical and thermal performance during transportation, construction and its service life. The porosity of the proposed partition wall is formed by elliptic-cylinder-type cavities. The finite element method was used to investigate the mechanical and thermal behaviour, which shows that the proposed model has distinct advantages over the current partition wall that is used in the building industry. It is found that, by controlling the eccentricity of the elliptic-cylinder cavities, the proposed wall stiffness can be adjusted to respond to the imposed loads and to improve the thermal performance, which can be used for the optimum design. Finally, design guidance is provided to obtain the optimal mechanical and thermal performance. The proposed model could be used as a promising candidate for partition wall in the building industry.

  1. Assessing the seasonality and uncertainty in evapotranspiration partitioning using a tracer-aided model

    Science.gov (United States)

    Smith, A. A.; Welch, C.; Stadnyk, T. A.

    2018-05-01

    Evapotranspiration (ET) partitioning is a growing field of research in hydrology due to the significant fraction of watershed water loss it represents. The use of tracer-aided models has improved understanding of watershed processes, and has significant potential for identifying time-variable partitioning of evaporation (E) from ET. A tracer-aided model was used to establish a time-series of E/ET using differences in riverine δ18O and δ2H in four northern Canadian watersheds (lower Nelson River, Manitoba, Canada). On average E/ET follows a parabolic trend ranging from 0.7 in the spring and autumn to 0.15 (three watersheds) and 0.5 (fourth watershed) during the summer growing season. In the fourth watershed wetlands and shrubs dominate land cover. During the summer, E/ET ratios are highest in wetlands for three watersheds (10% higher than unsaturated soil storage), while lowest for the fourth watershed (20% lower than unsaturated soil storage). Uncertainty of the ET partition parameters is strongly influenced by storage volumes, with large storage volumes increasing partition uncertainty. In addition, higher simulated soil moisture increases estimated E/ET. Although unsaturated soil storage accounts for larger surface areas in these watersheds than wetlands, riverine isotopic composition is more strongly affected by E from wetlands. Comparisons of E/ET to measurement-intensive studies in similar ecoregions indicate that the methodology proposed here adequately partitions ET.

  2. Asymmetrical Damage Partitioning in Bacteria: A Model for the Evolution of Stochasticity, Determinism, and Genetic Assimilation.

    Science.gov (United States)

    Chao, Lin; Rang, Camilla Ulla; Proenca, Audrey Menegaz; Chao, Jasper Ubirajara

    2016-01-01

    Non-genetic phenotypic variation is common in biological organisms. The variation is potentially beneficial if the environment is changing. If the benefit is large, selection can favor the evolution of genetic assimilation, the process by which the expression of a trait is transferred from environmental to genetic control. Genetic assimilation is an important evolutionary transition, but it is poorly understood because the fitness costs and benefits of variation are often unknown. Here we show that the partitioning of damage by a mother bacterium to its two daughters can evolve through genetic assimilation. Bacterial phenotypes are also highly variable. Because gene-regulating elements can have low copy numbers, the variation is attributed to stochastic sampling. Extant Escherichia coli partition asymmetrically and deterministically more damage to the old daughter, the one receiving the mother's old pole. By modeling in silico damage partitioning in a population, we show that deterministic asymmetry is advantageous because it increases fitness variance and hence the efficiency of natural selection. However, we find that symmetrical but stochastic partitioning can be similarly beneficial. To examine why bacteria evolved deterministic asymmetry, we modeled the effect of damage anchored to the mother's old pole. While anchored damage strengthens selection for asymmetry by creating additional fitness variance, it has the opposite effect on symmetry. The difference results because anchored damage reinforces the polarization of partitioning in asymmetric bacteria. In symmetric bacteria, it dilutes the polarization. Thus, stochasticity alone may have protected early bacteria from damage, but deterministic asymmetry has evolved to be equally important in extant bacteria. We estimate that 47% of damage partitioning is deterministic in E. coli. We suggest that the evolution of deterministic asymmetry from stochasticity offers an example of Waddington's genetic assimilation

  3. Asymmetrical Damage Partitioning in Bacteria: A Model for the Evolution of Stochasticity, Determinism, and Genetic Assimilation.

    Directory of Open Access Journals (Sweden)

    Lin Chao

    2016-01-01

    Full Text Available Non-genetic phenotypic variation is common in biological organisms. The variation is potentially beneficial if the environment is changing. If the benefit is large, selection can favor the evolution of genetic assimilation, the process by which the expression of a trait is transferred from environmental to genetic control. Genetic assimilation is an important evolutionary transition, but it is poorly understood because the fitness costs and benefits of variation are often unknown. Here we show that the partitioning of damage by a mother bacterium to its two daughters can evolve through genetic assimilation. Bacterial phenotypes are also highly variable. Because gene-regulating elements can have low copy numbers, the variation is attributed to stochastic sampling. Extant Escherichia coli partition asymmetrically and deterministically more damage to the old daughter, the one receiving the mother's old pole. By modeling in silico damage partitioning in a population, we show that deterministic asymmetry is advantageous because it increases fitness variance and hence the efficiency of natural selection. However, we find that symmetrical but stochastic partitioning can be similarly beneficial. To examine why bacteria evolved deterministic asymmetry, we modeled the effect of damage anchored to the mother's old pole. While anchored damage strengthens selection for asymmetry by creating additional fitness variance, it has the opposite effect on symmetry. The difference results because anchored damage reinforces the polarization of partitioning in asymmetric bacteria. In symmetric bacteria, it dilutes the polarization. Thus, stochasticity alone may have protected early bacteria from damage, but deterministic asymmetry has evolved to be equally important in extant bacteria. We estimate that 47% of damage partitioning is deterministic in E. coli. We suggest that the evolution of deterministic asymmetry from stochasticity offers an example of Waddington

  4. Supersymmetric localization for BPS black hole entropy: 1-loop partition function from vector multiplets

    International Nuclear Information System (INIS)

    Gupta, Rajesh Kumar; Ito, Yuto; Jeon, Imtak

    2015-01-01

    We use the techniques of supersymmetric localization to compute the BPS black hole entropy in N=2 supergravity. We focus on the n_v+1 vector multiplets on the black hole near horizon background which is AdS_2× S"2 space. We find the localizing saddle point of the vector multiplets by solving the localization equations, and compute the exact one-loop partition function on the saddle point. Furthermore, we propose the appropriate functional integration measure. Through this measure, the one-loop determinant is written in terms of the radius of the physical metric, which depends on the localizing saddle point value of the vector multiplets. The result for the one-loop determinant is consistent with the logarithmic corrections to the BPS black hole entropy from vector multiplets.

  5. Comparison of modeling approaches for carbon partitioning: Impact on estimates of global net primary production and equilibrium biomass of woody vegetation from MODIS GPP

    Science.gov (United States)

    Ise, Takeshi; Litton, Creighton M.; Giardina, Christian P.; Ito, Akihiko

    2010-12-01

    Partitioning of gross primary production (GPP) to aboveground versus belowground, to growth versus respiration, and to short versus long-lived tissues exerts a strong influence on ecosystem structure and function, with potentially large implications for the global carbon budget. A recent meta-analysis of forest ecosystems suggests that carbon partitioning to leaves, stems, and roots varies consistently with GPP and that the ratio of net primary production (NPP) to GPP is conservative across environmental gradients. To examine influences of carbon partitioning schemes employed by global ecosystem models, we used this meta-analysis-based model and a satellite-based (MODIS) terrestrial GPP data set to estimate global woody NPP and equilibrium biomass, and then compared it to two process-based ecosystem models (Biome-BGC and VISIT) using the same GPP data set. We hypothesized that different carbon partitioning schemes would result in large differences in global estimates of woody NPP and equilibrium biomass. Woody NPP estimated by Biome-BGC and VISIT was 25% and 29% higher than the meta-analysis-based model for boreal forests, with smaller differences in temperate and tropics. Global equilibrium woody biomass, calculated from model-specific NPP estimates and a single set of tissue turnover rates, was 48 and 226 Pg C higher for Biome-BGC and VISIT compared to the meta-analysis-based model, reflecting differences in carbon partitioning to structural versus metabolically active tissues. In summary, we found that different carbon partitioning schemes resulted in large variations in estimates of global woody carbon flux and storage, indicating that stand-level controls on carbon partitioning are not yet accurately represented in ecosystem models.

  6. Integrated Berth Allocation and Quay Crane Assignment Problem: Set partitioning models and computational results

    DEFF Research Database (Denmark)

    Iris, Cagatay; Pacino, Dario; Røpke, Stefan

    2015-01-01

    Most of the operational problems in container terminals are strongly interconnected. In this paper, we study the integrated Berth Allocation and Quay Crane Assignment Problem in seaport container terminals. We will extend the current state-of-the-art by proposing novel set partitioning models....... To improve the performance of the set partitioning formulations, a number of variable reduction techniques are proposed. Furthermore, we analyze the effects of different discretization schemes and the impact of using a time-variant/invariant quay crane allocation policy. Computational experiments show...

  7. Partition functions in even dimensional AdS via quasinormal mode methods

    International Nuclear Information System (INIS)

    Keeler, Cynthia; Ng, Gim Seng

    2014-01-01

    In this note, we calculate the one-loop determinant for a massive scalar (with conformal dimension Δ) in even-dimensional AdS d+1 space, using the quasinormal mode method developed in http://dx.doi.org/10.1088/0264-9381/27/12/125001 by Denef, Hartnoll, and Sachdev. Working first in two dimensions on the related Euclidean hyperbolic plane H 2 , we find a series of zero modes for negative real values of Δ whose presence indicates a series of poles in the one-loop partition function Z(Δ) in the Δ complex plane; these poles contribute temperature-independent terms to the thermal AdS partition function computed in http://dx.doi.org/10.1088/0264-9381/27/12/125001. Our results match those in a series of papers by Camporesi and Higuchi, as well as Gopakumar et al. http://dx.doi.org/10.1007/JHEP11(2011)010 and Banerjee et al. http://dx.doi.org/10.1007/JHEP03(2011)147. We additionally examine the meaning of these zero modes, finding that they Wick-rotate to quasinormal modes of the AdS 2 black hole. They are also interpretable as matrix elements of the discrete series representations of SO(2,1) in the space of smooth functions on S 1 . We generalize our results to general even dimensional AdS 2n , again finding a series of zero modes which are related to discrete series representations of SO(2n,1), the motion group of H 2n .

  8. Local-scale Partitioning of Functional and Phylogenetic Beta Diversity in a Tropical Tree Assemblage.

    Science.gov (United States)

    Yang, Jie; Swenson, Nathan G; Zhang, Guocheng; Ci, Xiuqin; Cao, Min; Sha, Liqing; Li, Jie; Ferry Slik, J W; Lin, Luxiang

    2015-08-03

    The relative degree to which stochastic and deterministic processes underpin community assembly is a central problem in ecology. Quantifying local-scale phylogenetic and functional beta diversity may shed new light on this problem. We used species distribution, soil, trait and phylogenetic data to quantify whether environmental distance, geographic distance or their combination are the strongest predictors of phylogenetic and functional beta diversity on local scales in a 20-ha tropical seasonal rainforest dynamics plot in southwest China. The patterns of phylogenetic and functional beta diversity were generally consistent. The phylogenetic and functional dissimilarity between subplots (10 × 10 m, 20 × 20 m, 50 × 50 m and 100 × 100 m) was often higher than that expected by chance. The turnover of lineages and species function within habitats was generally slower than that across habitats. Partitioning the variation in phylogenetic and functional beta diversity showed that environmental distance was generally a better predictor of beta diversity than geographic distance thereby lending relatively more support for deterministic environmental filtering over stochastic processes. Overall, our results highlight that deterministic processes play a stronger role than stochastic processes in structuring community composition in this diverse assemblage of tropical trees.

  9. Assessing Local Model Adequacy in Bayesian Hierarchical Models Using the Partitioned Deviance Information Criterion

    Science.gov (United States)

    Wheeler, David C.; Hickson, DeMarc A.; Waller, Lance A.

    2010-01-01

    Many diagnostic tools and goodness-of-fit measures, such as the Akaike information criterion (AIC) and the Bayesian deviance information criterion (DIC), are available to evaluate the overall adequacy of linear regression models. In addition, visually assessing adequacy in models has become an essential part of any regression analysis. In this paper, we focus on a spatial consideration of the local DIC measure for model selection and goodness-of-fit evaluation. We use a partitioning of the DIC into the local DIC, leverage, and deviance residuals to assess local model fit and influence for both individual observations and groups of observations in a Bayesian framework. We use visualization of the local DIC and differences in local DIC between models to assist in model selection and to visualize the global and local impacts of adding covariates or model parameters. We demonstrate the utility of the local DIC in assessing model adequacy using HIV prevalence data from pregnant women in the Butare province of Rwanda during 1989-1993 using a range of linear model specifications, from global effects only to spatially varying coefficient models, and a set of covariates related to sexual behavior. Results of applying the diagnostic visualization approach include more refined model selection and greater understanding of the models as applied to the data. PMID:21243121

  10. Partitioning uncertainty in streamflow projections under nonstationary model conditions

    Science.gov (United States)

    Chawla, Ila; Mujumdar, P. P.

    2018-02-01

    Assessing the impacts of Land Use (LU) and climate change on future streamflow projections is necessary for efficient management of water resources. However, model projections are burdened with significant uncertainty arising from various sources. Most of the previous studies have considered climate models and scenarios as major sources of uncertainty, but uncertainties introduced by land use change and hydrologic model assumptions are rarely investigated. In this paper an attempt is made to segregate the contribution from (i) general circulation models (GCMs), (ii) emission scenarios, (iii) land use scenarios, (iv) stationarity assumption of the hydrologic model, and (v) internal variability of the processes, to overall uncertainty in streamflow projections using analysis of variance (ANOVA) approach. Generally, most of the impact assessment studies are carried out with unchanging hydrologic model parameters in future. It is, however, necessary to address the nonstationarity in model parameters with changing land use and climate. In this paper, a regression based methodology is presented to obtain the hydrologic model parameters with changing land use and climate scenarios in future. The Upper Ganga Basin (UGB) in India is used as a case study to demonstrate the methodology. The semi-distributed Variable Infiltration Capacity (VIC) model is set-up over the basin, under nonstationary conditions. Results indicate that model parameters vary with time, thereby invalidating the often-used assumption of model stationarity. The streamflow in UGB under the nonstationary model condition is found to reduce in future. The flows are also found to be sensitive to changes in land use. Segregation results suggest that model stationarity assumption and GCMs along with their interactions with emission scenarios, act as dominant sources of uncertainty. This paper provides a generalized framework for hydrologists to examine stationarity assumption of models before considering them

  11. Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals

    Energy Technology Data Exchange (ETDEWEB)

    Jasper, Ahren W. [Chemical Sciences and Engineering; Gruey, Zackery B. [Chemical Sciences and Engineering; Harding, Lawrence B. [Chemical Sciences and Engineering; Georgievskii, Yuri [Chemical Sciences and Engineering; Klippenstein, Stephen J. [Chemical Sciences and Engineering; Wagner, Albert F. [Chemical Sciences and Engineering

    2018-02-03

    Monte Carlo phase space integration (MCPSI) is used to compute full dimensional and fully anharmonic, but classical, rovibrational partition functions for 22 small- and medium-sized molecules and radicals. Several of the species considered here feature multiple minima and low-frequency nonlocal motions, and efficiently sampling these systems is facilitated using curvilinear (stretch, bend, and torsion) coordinates. The curvilinear coordinate MCPSI method is demonstrated to be applicable to the treatment of fluxional species with complex rovibrational structures and as many as 21 fully coupled rovibrational degrees of freedom. Trends in the computed anharmonicity corrections are discussed. For many systems, rovibrational anharmonicities at elevated temperatures are shown to vary consistently with the number of degrees of freedom and with temperature once rovibrational coupling and torsional anharmonicity are accounted for. Larger corrections are found for systems with complex vibrational structures, such as systems with multiple large-amplitude modes and/or multiple minima.

  12. Heuristics for Hierarchical Partitioning with Application to Model Checking

    DEFF Research Database (Denmark)

    Möller, Michael Oliver; Alur, Rajeev

    2001-01-01

    Given a collection of connected components, it is often desired to cluster together parts of strong correspondence, yielding a hierarchical structure. We address the automation of this process and apply heuristics to battle the combinatorial and computational complexity. We define a cost function...... that captures the quality of a structure relative to the connections and favors shallow structures with a low degree of branching. Finding a structure with minimal cost is NP-complete. We present a greedy polynomial-time algorithm that approximates good solutions incrementally by local evaluation of a heuristic...... function. We argue for a heuristic function based on four criteria: the number of enclosed connections, the number of components, the number of touched connections and the depth of the structure. We report on an application in the context of formal verification, where our algorithm serves as a preprocessor...

  13. Determination of Partition Coefficients of Selected Model Migrants between Polyethylene and Polypropylene and Nanocomposite Polypropylene

    Directory of Open Access Journals (Sweden)

    Pablo Otero-Pazos

    2016-01-01

    Full Text Available Studies on nanoparticles have focused the attention of the researchers because they can produce nanocomposites that exhibit unexpected hybrid properties. Polymeric materials are commonly used in food packaging, but from the standpoint of food safety, one of the main concerns on the use of these materials is the potential migration of low molecular substances from the packaging into the food. The key parameters of this phenomenon are the diffusion and partition coefficients. Studies on migration from food packaging with nanomaterials are very scarce. This study is focused on the determination of partition coefficients of different model migrants between the low-density polyethylene (LDPE and polypropylene (PP and between LDPE and nanocomposite polypropylene (naPP. The results show that the incorporation of nanoparticles in polypropylene increases the mass transport of model migrants from LDPE to naPP. This quantity of migrants absorbed into PP and naPP depends partially on the nature of the polymer and slightly on the chemical features of the migrant. Relation (RPP/naPP between partition coefficient KLDPE/PP and partition coefficient KLDPE/naPP at 60°C and 80°C shows that only BHT at 60°C has a RPP/naPP less than 1. On the other hand, bisphenol A has the highest RPP/naPP with approximately 50 times more.

  14. A partitioned correlation function interaction approach for describing electron correlation in atoms

    International Nuclear Information System (INIS)

    Verdebout, S; Godefroid, M; Rynkun, P; Jönsson, P; Gaigalas, G; Fischer, C Froese

    2013-01-01

    The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as valence, core–valence and correlation within the core shells. The large orbital basis leads to massive configuration state function (CSF) expansions that are difficult to handle, even on large computer systems. We show that it is possible to relax the orthonormality restriction on the orbital basis and break down the originally very large calculations into a series of smaller calculations that can be run in parallel. Each calculation determines a partitioned correlation function (PCF) that accounts for a specific correlation effect. The PCFs are built on optimally localized orbital sets and are added to a zero-order multireference (MR) function to form a total wave function. The expansion coefficients of the PCFs are determined from a low dimensional generalized eigenvalue problem. The interaction and overlap matrices are computed using a biorthonormal transformation technique (Verdebout et al 2010 J. Phys. B: At. Mol. Phys. 43 074017). The new method, called partitioned correlation function interaction (PCFI), converges rapidly with respect to the orbital basis and gives total energies that are lower than the ones from ordinary MCHF and CI calculations. The PCFI method is also very flexible when it comes to targeting different electron correlation effects. Focusing our attention on neutral lithium, we show that by dedicating a PCF to the single excitations from the core, spin- and orbital-polarization effects can be captured very efficiently, leading to highly improved convergence patterns for hyperfine parameters compared with MCHF calculations based on a single orthogonal radial orbital basis. By collecting separately optimized PCFs to correct the

  15. A partitioned correlation function interaction approach for describing electron correlation in atoms

    Science.gov (United States)

    Verdebout, S.; Rynkun, P.; Jönsson, P.; Gaigalas, G.; Froese Fischer, C.; Godefroid, M.

    2013-04-01

    The traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as valence, core-valence and correlation within the core shells. The large orbital basis leads to massive configuration state function (CSF) expansions that are difficult to handle, even on large computer systems. We show that it is possible to relax the orthonormality restriction on the orbital basis and break down the originally very large calculations into a series of smaller calculations that can be run in parallel. Each calculation determines a partitioned correlation function (PCF) that accounts for a specific correlation effect. The PCFs are built on optimally localized orbital sets and are added to a zero-order multireference (MR) function to form a total wave function. The expansion coefficients of the PCFs are determined from a low dimensional generalized eigenvalue problem. The interaction and overlap matrices are computed using a biorthonormal transformation technique (Verdebout et al 2010 J. Phys. B: At. Mol. Phys. 43 074017). The new method, called partitioned correlation function interaction (PCFI), converges rapidly with respect to the orbital basis and gives total energies that are lower than the ones from ordinary MCHF and CI calculations. The PCFI method is also very flexible when it comes to targeting different electron correlation effects. Focusing our attention on neutral lithium, we show that by dedicating a PCF to the single excitations from the core, spin- and orbital-polarization effects can be captured very efficiently, leading to highly improved convergence patterns for hyperfine parameters compared with MCHF calculations based on a single orthogonal radial orbital basis. By collecting separately optimized PCFs to correct the MR

  16. A detailed aerosol mixing state model for investigating interactions between mixing state, semivolatile partitioning, and coagulation

    OpenAIRE

    J. Lu; F. M. Bowman

    2010-01-01

    A new method for describing externally mixed particles, the Detailed Aerosol Mixing State (DAMS) representation, is presented in this study. This novel method classifies aerosols by both composition and size, using a user-specified mixing criterion to define boundaries between compositional populations. Interactions between aerosol mixing state, semivolatile partitioning, and coagulation are investigated with a Lagrangian box model that incorporates the DAMS approach. Model results predict th...

  17. Prediction of phenanthrene uptake by plants with a partition-limited model

    International Nuclear Information System (INIS)

    Zhu, Lizhong; Gao, Yanzheng

    2004-01-01

    The performance of a partition-limited model on prediction of phenanthrene uptake by a wide variety of plant species was evaluated using a greenhouse study. The model predictions of root or shoot concentrations for tested plant species were all within an order of magnitude of the observed values. Modeled root concentrations appeared to be more accurate than modeled shoot concentrations. The differences of simulated and experimented concentrations of phenanthrene in roots and shoots of three representative plant species, including ryegrass, flowering Chinese cabbage, and three-colored amaranth, were less than 81% for roots and 103% for shoots. Results are promising in that the α pt values of the partition-limited model for root uptake of phenanthrene correlate well with root lipid contents. Additionally, a significantly positive correlation is also observed between root concentration factors (RCFs, defined as the ratio of contaminant concentrations in root and in soil on a dry weight basis) of phenanthrene and root lipid contents. Results from this study suggest that the partition-limited model may have potential applications for predicting the plant PAH concentration in contaminated sites

  18. Maximum Entropy Production Modeling of Evapotranspiration Partitioning on Heterogeneous Terrain and Canopy Cover: advantages and limitations.

    Science.gov (United States)

    Gutierrez-Jurado, H. A.; Guan, H.; Wang, J.; Wang, H.; Bras, R. L.; Simmons, C. T.

    2015-12-01

    Quantification of evapotranspiration (ET) and its partition over regions of heterogeneous topography and canopy poses a challenge using traditional approaches. In this study, we report the results of a novel field experiment design guided by the Maximum Entropy Production model of ET (MEP-ET), formulated for estimating evaporation and transpiration from homogeneous soil and canopy. A catchment with complex terrain and patchy vegetation in South Australia was instrumented to measure temperature, humidity and net radiation at soil and canopy surfaces. Performance of the MEP-ET model to quantify transpiration and soil evaporation was evaluated during wet and dry conditions with independently and directly measured transpiration from sapflow and soil evaporation using the Bowen Ratio Energy Balance (BREB). MEP-ET transpiration shows remarkable agreement with that obtained through sapflow measurements during wet conditions, but consistently overestimates the flux during dry periods. However, an additional term introduced to the original MEP-ET model accounting for higher stomatal regulation during dry spells, based on differences between leaf and air vapor pressure deficits and temperatures, significantly improves the model performance. On the other hand, MEP-ET soil evaporation is in good agreement with that from BREB regardless of moisture conditions. The experimental design allows a plot and tree scale quantification of evaporation and transpiration respectively. This study confirms for the first time that the MEP-ET originally developed for homogeneous open bare soil and closed canopy can be used for modeling ET over heterogeneous land surfaces. Furthermore, we show that with the addition of an empirical function simulating the plants ability to regulate transpiration, and based on the same measurements of temperature and humidity, the method can produce reliable estimates of ET during both wet and dry conditions without compromising its parsimony.

  19. QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES.

    Science.gov (United States)

    Toropov, A A; Toropova, A P; Raska, I

    2008-04-01

    Simplified molecular input line entry system (SMILES) has been utilized in constructing quantitative structure-property relationships (QSPR) for octanol/water partition coefficient of vitamins and organic compounds of different classes by optimal descriptors. Statistical characteristics of the best model (vitamins) are the following: n=17, R(2)=0.9841, s=0.634, F=931 (training set); n=7, R(2)=0.9928, s=0.773, F=690 (test set). Using this approach for modeling octanol/water partition coefficient for a set of organic compounds gives a model that is statistically characterized by n=69, R(2)=0.9872, s=0.156, F=5184 (training set) and n=70, R(2)=0.9841, s=0.179, F=4195 (test set).

  20. Modelling insights on the partition of evapotranspiration components across biomes

    Science.gov (United States)

    Fatichi, Simone; Pappas, Christoforos

    2017-04-01

    Recent studies using various methodologies have found a large variability (from 35 to 90%) in the ratio of transpiration to total evapotranspiration (denoted as T:ET) across biomes or even at the global scale. Concurrently, previous results suggest that T:ET is independent of mean precipitation and has a positive correlation with Leaf Area Index (LAI). We used the mechanistic ecohydrological model, T&C, with a refined process-based description of soil resistance and a detailed treatment of canopy biophysics and ecophysiology, to investigate T:ET across multiple biomes. Contrary to observation-based estimates, simulation results highlight a well-constrained range of mean T:ET across biomes that is also robust to perturbations of the most sensitive parameters. Simulated T:ET was confirmed to be independent of average precipitation, while it was found to be uncorrelated with LAI across biomes. Higher values of LAI increase evaporation from interception but suppress ground evaporation with the two effects largely cancelling each other in many sites. These results offer mechanistic, model-based, evidence to the ongoing research about the range of T:ET and the factors affecting its magnitude across biomes.

  1. Hierarchical partitioning of metazoan protein conservation profiles provides new functional insights.

    Directory of Open Access Journals (Sweden)

    Jonathan Witztum

    Full Text Available The availability of many complete, annotated proteomes enables the systematic study of the relationships between protein conservation and functionality. We explore this question based solely on the presence or absence of protein homologues (a.k.a. conservation profiles. We study 18 metazoans, from two distinct points of view: the human's and the fly's. Using the GOrilla gene ontology (GO analysis tool, we explore functional enrichment of the "universal proteins", those with homologues in all 17 other species, and of the "non-universal proteins". A large number of GO terms are strongly enriched in both human and fly universal proteins. Most of these functions are known to be essential. A smaller number of GO terms, exhibiting markedly different properties, are enriched in both human and fly non-universal proteins. We further explore the non-universal proteins, whose conservation profiles are consistent with the "tree of life" (TOL consistent, as well as the TOL inconsistent proteins. Finally, we applied Quantum Clustering to the conservation profiles of the TOL consistent proteins. Each cluster is strongly associated with one or a small number of specific monophyletic clades in the tree of life. The proteins in many of these clusters exhibit strong functional enrichment associated with the "life style" of the related clades. Most previous approaches for studying function and conservation are "bottom up", studying protein families one by one, and separately assessing the conservation of each. By way of contrast, our approach is "top down". We globally partition the set of all proteins hierarchically, as described above, and then identify protein families enriched within different subdivisions. While supporting previous findings, our approach also provides a tool for discovering novel relations between protein conservation profiles, functionality, and evolutionary history as represented by the tree of life.

  2. Modular relations for the Rogers-Ramanujan-Slater type functions of order fifteen and its applications to partitions

    Directory of Open Access Journals (Sweden)

    Chandrashekar Adiga

    2013-10-01

    Full Text Available In a manuscript of Ramanujan, published with his Lost Notebook [20] there are forty identities involving the Rogers-Ramanujan functions. In this paper, we establish several modular relations involving the Rogers-Ramanujan functions and the Rogers-Ramanujan-Slater type functions of order fifteen which are analogues to Ramanujan’s well known forty identities. Furthermore, we give partition theoretic interpretations of two modular relations.

  3. Bayesian clustering of DNA sequences using Markov chains and a stochastic partition model.

    Science.gov (United States)

    Jääskinen, Väinö; Parkkinen, Ville; Cheng, Lu; Corander, Jukka

    2014-02-01

    In many biological applications it is necessary to cluster DNA sequences into groups that represent underlying organismal units, such as named species or genera. In metagenomics this grouping needs typically to be achieved on the basis of relatively short sequences which contain different types of errors, making the use of a statistical modeling approach desirable. Here we introduce a novel method for this purpose by developing a stochastic partition model that clusters Markov chains of a given order. The model is based on a Dirichlet process prior and we use conjugate priors for the Markov chain parameters which enables an analytical expression for comparing the marginal likelihoods of any two partitions. To find a good candidate for the posterior mode in the partition space, we use a hybrid computational approach which combines the EM-algorithm with a greedy search. This is demonstrated to be faster and yield highly accurate results compared to earlier suggested clustering methods for the metagenomics application. Our model is fairly generic and could also be used for clustering of other types of sequence data for which Markov chains provide a reasonable way to compress information, as illustrated by experiments on shotgun sequence type data from an Escherichia coli strain.

  4. Study and modeling of the evolution of gas-liquid partitioning of hydrogen sulfide in model solutions simulating winemaking fermentations.

    Science.gov (United States)

    Mouret, Jean-Roch; Sablayrolles, Jean-Marie; Farines, Vincent

    2015-04-01

    The knowledge of gas-liquid partitioning of aroma compounds during winemaking fermentation could allow optimization of fermentation management, maximizing concentrations of positive markers of aroma and minimizing formation of molecules, such as hydrogen sulfide (H2S), responsible for defects. In this study, the effect of the main fermentation parameters on the gas-liquid partition coefficients (Ki) of H2S was assessed. The Ki for this highly volatile sulfur compound was measured in water by an original semistatic method developed in this work for the determination of gas-liquid partitioning. This novel method was validated and then used to determine the Ki of H2S in synthetic media simulating must, fermenting musts at various steps of the fermentation process, and wine. Ki values were found to be mainly dependent on the temperature but also varied with the composition of the medium, especially with the glucose concentration. Finally, a model was developed to quantify the gas-liquid partitioning of H2S in synthetic media simulating must to wine. This model allowed a very accurate prediction of the partition coefficient of H2S: the difference between observed and predicted values never exceeded 4%.

  5. Pattern-Driven Architectural Partitioning. Balancing Functional and Non-functional Requirements

    NARCIS (Netherlands)

    Harrison, Neil; Avgeriou, Paris

    2007-01-01

    One of the vexing challenges of software architecture is the problem of satisfying the functional specifications of the system to be created while at the same time meeting its non-functional needs. In this work we focus on the early stages of the software architecture process, when initial

  6. Modeling the gas-particle partitioning of secondary organic aerosol: the importance of liquid-liquid phase separation

    Directory of Open Access Journals (Sweden)

    A. Zuend

    2012-05-01

    Full Text Available The partitioning of semivolatile organic compounds between the gas phase and aerosol particles is an important source of secondary organic aerosol (SOA. Gas-particle partitioning of organic and inorganic species is influenced by the physical state and water content of aerosols, and therefore ambient relative humidity (RH, as well as temperature and organic loading levels. We introduce a novel combination of the thermodynamic models AIOMFAC (for liquid mixture non-ideality and EVAPORATION (for pure compound vapor pressures with oxidation product information from the Master Chemical Mechanism (MCM for the computation of gas-particle partitioning of organic compounds and water. The presence and impact of a liquid-liquid phase separation in the condensed phase is calculated as a function of variations in relative humidity, organic loading levels, and associated changes in aerosol composition. We show that a complex system of water, ammonium sulfate, and SOA from the ozonolysis of α-pinene exhibits liquid-liquid phase separation over a wide range of relative humidities (simulated from 30% to 99% RH. Since fully coupled phase separation and gas-particle partitioning calculations are computationally expensive, several simplified model approaches are tested with regard to computational costs and accuracy of predictions compared to the benchmark calculation. It is shown that forcing a liquid one-phase aerosol with or without consideration of non-ideal mixing bears the potential for vastly incorrect partitioning predictions. Assuming an ideal mixture leads to substantial overestimation of the particulate organic mass, by more than 100% at RH values of 80% and by more than 200% at RH values of 95%. Moreover, the simplified one-phase cases stress two key points for accurate gas-particle partitioning calculations: (1 non-ideality in the condensed phase needs to be considered and (2 liquid-liquid phase separation is a consequence of considerable deviations

  7. REE Partition Coefficients from Synthetic Diogenite-Like Enstatite and the Implications of Petrogenetic Modeling

    Science.gov (United States)

    Schwandt, C. S.; McKay, G. A.

    1996-01-01

    Determining the petrogenesis of eucrites (basaltic achondrites) and diogenites (orthopyroxenites) and the possible links between the meteorite types was initiated 30 years ago by Mason. Since then, most investigators have worked on this question. A few contrasting theories have emerged, with the important distinction being whether or not there is a direct genetic link between eucrites and diogenites. One theory suggests that diogenites are cumulates resulting from the fractional crystallization of a parent magma with the eucrites crystallizing, from the residual magma after separation from the diogenite cumulates. Another model proposes that diogenites are cumulates formed from partial melts derived from a source region depleted by the prior generation of eucrite melts. It has also been proposed that the diogenites may not be directly linked to the eucrites and that they are cumulates derived from melts that are more orthopyroxene normative than the eucrites. This last theory has recently received more analytical and experimental support. One of the difficulties with petrogenetic modeling is that it requires appropriate partition coefficients for modeling because they are dependent on temperature, pressure, and composition. For this reason, we set out to determine minor- and trace-element partition coefficients for diogenite-like orthopyroxene. We have accomplished this task and now have enstatite/melt partition coefficients for Al, Cr, Ti, La, Ce, Nd, Sm, Eu, Dy, Er, Yb, and La.

  8. Characterization and modeling of mechanical behavior of quenching and partitioning steels

    International Nuclear Information System (INIS)

    Arlazarov, A.; Bouaziz, O.; Masse, J.P.; Kegel, F.

    2015-01-01

    Q and P annealing was applied to cold rolled carbon–manganese steel with Si. Q and P cycles with different partitioning temperature and time were simulated and the evolution of microstructure and mechanical properties was investigated. All the microstructures were composed of three constituents: partitioned martensite, laths of retained austenite and MA islands. Fine microstructure characterization confirmed that C diffusion plays an important role for the stabilization of retained austenite at room temperature and further TRIP effect during mechanical loading. Good compromise between yield strength (∼1200 MPa) and uniform elongation (∼11%) was found in the case of 400 °C partitioning for 300 s due to the enhanced mechanical stability of retained austenite. Evolution of microstructure and mechanical properties was discussed and some mechanisms were proposed to explain the observations. Mechanical model for the prediction of stress–strain curves of Q and P steels was proposed, based on the obtained experimental data. Accurate prediction of stress–strain curves using model was achieved

  9. Characterization and modeling of mechanical behavior of quenching and partitioning steels

    Energy Technology Data Exchange (ETDEWEB)

    Arlazarov, A., E-mail: artem.arlazarov@arcelormittal.com [ArcelorMittal Global Research and Development, Voie Romaine-BP30320, 57283 Maizières-lès-Metz Cedex (France); Laboratoire d’Etude des Microstructures et de Mécanique des Matériaux (LEM3), CNRS UMR 7239, Université de Lorraine, 57012 Metz Cedex (France); Bouaziz, O. [ArcelorMittal Global Research and Development, Voie Romaine-BP30320, 57283 Maizières-lès-Metz Cedex (France); Laboratoire d’Etude des Microstructures et de Mécanique des Matériaux (LEM3), CNRS UMR 7239, Université de Lorraine, 57012 Metz Cedex (France); Masse, J.P.; Kegel, F. [ArcelorMittal Global Research and Development, Voie Romaine-BP30320, 57283 Maizières-lès-Metz Cedex (France)

    2015-01-03

    Q and P annealing was applied to cold rolled carbon–manganese steel with Si. Q and P cycles with different partitioning temperature and time were simulated and the evolution of microstructure and mechanical properties was investigated. All the microstructures were composed of three constituents: partitioned martensite, laths of retained austenite and MA islands. Fine microstructure characterization confirmed that C diffusion plays an important role for the stabilization of retained austenite at room temperature and further TRIP effect during mechanical loading. Good compromise between yield strength (∼1200 MPa) and uniform elongation (∼11%) was found in the case of 400 °C partitioning for 300 s due to the enhanced mechanical stability of retained austenite. Evolution of microstructure and mechanical properties was discussed and some mechanisms were proposed to explain the observations. Mechanical model for the prediction of stress–strain curves of Q and P steels was proposed, based on the obtained experimental data. Accurate prediction of stress–strain curves using model was achieved.

  10. Estimating the impact of land use change on surface energy partition based on the Noah model

    Science.gov (United States)

    Chen, Shaohui; Su, Hongbo; Zhan, Jinyan

    2014-03-01

    It is well known that land use has an important impact on surface energy partition. It is important to study the evolving trend of the partition of sensible heat flux (SHF) and latent heat flux (LHF) from the net radiance (NR) with land use change in the context of regional climate changes. In this paper, we studied the response of energy partition to land use using the Noah model. First, the Noah model simulation results of SHF and LHF between 2003 and 2005 were comprehensively validated using the observation data from the Changbai Mountain Station, the Xilinhot Station, and the Yucheng Station. The study domains represent three different types of land use change: excessive deforestation, grassland degeneration aggravation, and groundwater level decline, respectively. The study period was subsequently extended from 2015 through 2034, using four projected land use maps and forcing data from Princeton (2000-2004). The simulation results show that during the land use conversions, the annual average of LHF drops by 10.7%, rises by 10.1%, and drops by 11.5% for the Changbai Mountain, Inner Mongolia, and Northern China stations, respectively while the annual average of SHF rises by 10.6%, drops by 10.1%, and drops by 11.3% for the three areas.

  11. Exact partition functions for deformed N=2 theories with N{sub f}=4 flavours

    Energy Technology Data Exchange (ETDEWEB)

    Beccaria, Matteo; Fachechi, Alberto; Macorini, Guido; Martina, Luigi [Dipartimento di Matematica e Fisica Ennio De Giorgi, Università del Salento,Via Arnesano, 73100 Lecce (Italy); INFN, Via Arnesano, 73100 Lecce (Italy)

    2016-12-07

    We consider the Ω-deformed N=2SU(2) gauge theory in four dimensions with N{sub f}=4 massive fundamental hypermultiplets. The low energy effective action depends on the deformation parameters ε{sub 1},ε{sub 2}, the scalar field expectation value a, and the hypermultiplet masses m=(m{sub 1},m{sub 2},m{sub 3},m{sub 4}). Motivated by recent findings in the N=2{sup ∗} theory, we explore the theories that are characterized by special fixed ratios ε{sub 2}/ε{sub 1} and m/ε{sub 1} and propose a simple condition on the structure of the multi-instanton contributions to the prepotential determining the effective action. This condition determines a finite set Π{sub N} of special points such that the prepotential has N poles at fixed positions independent on the instanton number. In analogy with what happens in the N=2{sup ∗} gauge theory, the full prepotential of the Π{sub N} theories may be given in closed form as an explicit function of a and the modular parameter q appearing in special combinations of Eisenstein series and Jacobi theta functions with well defined modular properties. The resulting finite pole partition functions are related by AGT correspondence to special 4-point spherical conformal blocks of the Virasoro algebra. We examine in full details special cases where the closed expression of the block is known and confirms our Ansatz. We systematically study the special features of Zamolodchikov’s recursion for the Π{sub N} conformal blocks. As a result, we provide a novel effective recursion relation that can be exactly solved and allows to prove the conjectured closed expressions analytically in the case of the Π{sub 1} and Π{sub 2} conformal blocks.

  12. Exact partition functions for deformed N=2 theories with N_f=4 flavours

    International Nuclear Information System (INIS)

    Beccaria, Matteo; Fachechi, Alberto; Macorini, Guido; Martina, Luigi

    2016-01-01

    We consider the Ω-deformed N=2SU(2) gauge theory in four dimensions with N_f=4 massive fundamental hypermultiplets. The low energy effective action depends on the deformation parameters ε_1,ε_2, the scalar field expectation value a, and the hypermultiplet masses m=(m_1,m_2,m_3,m_4). Motivated by recent findings in the N=2"∗ theory, we explore the theories that are characterized by special fixed ratios ε_2/ε_1 and m/ε_1 and propose a simple condition on the structure of the multi-instanton contributions to the prepotential determining the effective action. This condition determines a finite set Π_N of special points such that the prepotential has N poles at fixed positions independent on the instanton number. In analogy with what happens in the N=2"∗ gauge theory, the full prepotential of the Π_N theories may be given in closed form as an explicit function of a and the modular parameter q appearing in special combinations of Eisenstein series and Jacobi theta functions with well defined modular properties. The resulting finite pole partition functions are related by AGT correspondence to special 4-point spherical conformal blocks of the Virasoro algebra. We examine in full details special cases where the closed expression of the block is known and confirms our Ansatz. We systematically study the special features of Zamolodchikov’s recursion for the Π_N conformal blocks. As a result, we provide a novel effective recursion relation that can be exactly solved and allows to prove the conjectured closed expressions analytically in the case of the Π_1 and Π_2 conformal blocks.

  13. DNA denaturation through a model of the partition points on a one-dimensional lattice

    International Nuclear Information System (INIS)

    Mejdani, R.; Huseini, H.

    1994-08-01

    We have shown that by using a model of the partition points gas on a one-dimensional lattice, we can study, besides the saturation curves obtained before for the enzyme kinetics, also the denaturation process, i.e. the breaking of the hydrogen bonds connecting the two strands, under treatment by heat of DNA. We think that this model, as a very simple model and mathematically transparent, can be advantageous for pedagogic goals or other theoretical investigations in chemistry or modern biology. (author). 29 refs, 4 figs

  14. The Euler–Riemann gases, and partition identities

    International Nuclear Information System (INIS)

    Chair, Noureddine

    2013-01-01

    The Euler theorem in partition theory and its generalization are derived from a non-interacting quantum field theory in which each bosonic mode with a given frequency is equivalent to a sum of bosonic mode whose frequency is twice (s-times) as much, and a fermionic (parafermionic) mode with the same frequency. Explicit formulas for the graded parafermionic partition functions are obtained, and the inverse of the graded partition function (IGPPF), turns out to be bosonic (fermionic) partition function depending on the parity of the order s of the parafermions. It is also shown that these partition functions are generating functions of partitions of integers with restrictions, the Euler generating function is identified with the inverse of the graded parafermionic partition function of order 2. As a result we obtain new sequences of partitions of integers with given restrictions. If the parity of the order s is even, then mixing a system of parafermions with a system whose partition function is (IGPPF), results in a system of fermions and bosons. On the other hand, if the parity of s is odd, then, the system we obtain is still a mixture of fermions and bosons but the corresponding Fock space of states is truncated. It turns out that these partition functions are given in terms of the Jacobi theta function θ 4 , and generate sequences in partition theory. Our partition functions coincide with the overpartitions of Corteel and Lovejoy, and jagged partitions in conformal field theory. Also, the partition functions obtained are related to the Ramond characters of the superconformal minimal models, and in the counting of the Moore–Read edge spectra that appear in the fractional quantum Hall effect. The different partition functions for the Riemann gas that are the counter parts of the Euler gas are obtained by a simple change of variables. In particular the counter part of the Jacobi theta function is (ζ(2t))/(ζ(t) 2 ) . Finally, we propose two formulas which brings

  15. Clinical evaluation of the partition model for estimating radiation doses from yttrium-90 microspheres in the treatment of hepatic cancer

    International Nuclear Information System (INIS)

    Ho, S.; Lau, W.Y.; Leung, T.W.T.; Chan, M.; Johnson, P.J.; Li, A.K.C.

    1997-01-01

    Radiation doses to the tumour and non-tumorous liver compartments from yttrium-90 microspheres in the treatment of hepatic cancer, as estimated by a partition model, have been verified by correlation with the actual doses measured with a beta probe at open surgery. The validity of the doses to the lungs, the tumour and non-tumours liver compartment as estimated by the partition model was further evaluated in clinical settings. On the basis of the observation that one of three patients who received more than 30 Gy from a single treatment and one of two patients who received more than 50 Gy from multiple treatments developed radiation pneumonitis, it was deduced that an estimated lung dose 30 Gy as estimated by the partition model and were predicted to develop radiation pneumonitis, did so despite the use of partial hepatic embolization to reduce the degree of lung shunting. Furthermore, a higher radiological response rate and prolonged survival were found in the group of patients who received higher tumour doses, as estimated by the partition model, than in the group with lower estimated tumour doses. Thus the radiation doses estimated by the partition model can be used to predict (a) complication rate, (b) response rate and (c) duration of survival in the same manner as the actual radiation doses measured with a beta probe at open surgery. The partition model has made selective internal radiation therapy using 90 Y microspheres safe and repeatable without laparotomy. (orig.)

  16. A partitioned model order reduction approach to rationalise computational expenses in nonlinear fracture mechanics

    Science.gov (United States)

    Kerfriden, P.; Goury, O.; Rabczuk, T.; Bordas, S.P.A.

    2013-01-01

    We propose in this paper a reduced order modelling technique based on domain partitioning for parametric problems of fracture. We show that coupling domain decomposition and projection-based model order reduction permits to focus the numerical effort where it is most needed: around the zones where damage propagates. No a priori knowledge of the damage pattern is required, the extraction of the corresponding spatial regions being based solely on algebra. The efficiency of the proposed approach is demonstrated numerically with an example relevant to engineering fracture. PMID:23750055

  17. Thermodynamic aspects of solubility and partitioning processes of some sulfonamides in the solvents modeling biological media

    International Nuclear Information System (INIS)

    Perlovich, German L.; Ryzhakov, Alex M.; Strakhova, Nadezda N.; Kazachenko, Vladimir P.; Schaper, Klaus-Jürgen; Raevsky, Oleg A.

    2014-01-01

    Highlights: • Solubility processes of some sulfonamide isomers in water and 1-octanol were investigated. • Transfer processes from water to 1-octanol were evaluated by analysis of enthalpic and entropic terms. • Impact of various substituents in phenyl rings on solubility and transfer processes was studied. -- Abstract: The thermodynamic aspects of solubility processes of sulfonamides (SAs) with the general structures 4-NH 2 –C 6 H 4 –SO 2 NH–C 6 H 2 (R 1 )(R 2 )-R 3 (R 1 = 2-CH 3 , 2-Cl; R 2 = 4-CH 3 , 4-Cl; R 3 =5-H, 5-Cl), 4-NH 2 -2-Cl–C 6 H 3 –SO 2 NH–C 6 H 3 (R 1 )-R 2 (R 1 = 2-H, 2-Cl; R 2 = 4-H, 4-Cl) and 4-NH 2 -2-CH 3 –C 6 H 3 –SO 2 NH–C 6 H 3 (R 1 )-R 2 (R 1 = 2-H, 2-Cl, 2-NO 2 ; R 2 = 4-H, 4-Cl) in water and 1-octanol (as phases modeling various drug delivery pathways) were studied using the isothermal saturation method. For the sulfonamides with various substituents in phenyl rings the processes of transfer from water to 1-octanol were studied by a diagram method combined with analysis of enthalpic and entropic terms. Distinguishing between enthalpy and entropy, as is possible through the present approach, leads to the insight that the contribution of these terms is different for different molecules (entropy- or enthalpy-determined). Thus, in contrast to the interpretation of only the Gibbs energy of transfer (extensively used for pharmaceuticals in the form of the partition coefficient, logP), the analysis of thermodynamic functions of the transfer process provides additional mechanistic information. This may be important for further evaluation of the physiological distribution of drug molecules and may provide a better understanding of biopharmaceutical properties of drugs

  18. Gas-particle partitioning of semi-volatile organics on organic aerosols using a predictive activity coefficient model: analysis of the effects of parameter choices on model performance

    Science.gov (United States)

    Chandramouli, Bharadwaj; Jang, Myoseon; Kamens, Richard M.

    The partitioning of a diverse set of semivolatile organic compounds (SOCs) on a variety of organic aerosols was studied using smog chamber experimental data. Existing data on the partitioning of SOCs on aerosols from wood combustion, diesel combustion, and the α-pinene-O 3 reaction was augmented by carrying out smog chamber partitioning experiments on aerosols from meat cooking, and catalyzed and uncatalyzed gasoline engine exhaust. Model compositions for aerosols from meat cooking and gasoline combustion emissions were used to calculate activity coefficients for the SOCs in the organic aerosols and the Pankow absorptive gas/particle partitioning model was used to calculate the partitioning coefficient Kp and quantitate the predictive improvements of using the activity coefficient. The slope of the log K p vs. log p L0 correlation for partitioning on aerosols from meat cooking improved from -0.81 to -0.94 after incorporation of activity coefficients iγ om. A stepwise regression analysis of the partitioning model revealed that for the data set used in this study, partitioning predictions on α-pinene-O 3 secondary aerosol and wood combustion aerosol showed statistically significant improvement after incorporation of iγ om, which can be attributed to their overall polarity. The partitioning model was sensitive to changes in aerosol composition when updated compositions for α-pinene-O 3 aerosol and wood combustion aerosol were used. The octanol-air partitioning coefficient's ( KOA) effectiveness as a partitioning correlator over a variety of aerosol types was evaluated. The slope of the log K p- log K OA correlation was not constant over the aerosol types and SOCs used in the study and the use of KOA for partitioning correlations can potentially lead to significant deviations, especially for polar aerosols.

  19. Refined functional relations for the elliptic SOS model

    Energy Technology Data Exchange (ETDEWEB)

    Galleas, W., E-mail: w.galleas@uu.nl [ARC Centre of Excellence for the Mathematics and Statistics of Complex Systems, University of Melbourne, VIC 3010 (Australia)

    2013-02-21

    In this work we refine the method presented in Galleas (2012) [1] and obtain a novel kind of functional equation determining the partition function of the elliptic SOS model with domain wall boundaries. This functional relation arises from the dynamical Yang-Baxter relation and its solution is given in terms of multiple contour integrals.

  20. Refined functional relations for the elliptic SOS model

    International Nuclear Information System (INIS)

    Galleas, W.

    2013-01-01

    In this work we refine the method presented in Galleas (2012) [1] and obtain a novel kind of functional equation determining the partition function of the elliptic SOS model with domain wall boundaries. This functional relation arises from the dynamical Yang–Baxter relation and its solution is given in terms of multiple contour integrals.

  1. Confocal Raman Microscopy for in Situ Measurement of Phospholipid-Water Partitioning into Model Phospholipid Bilayers within Individual Chromatographic Particles.

    Science.gov (United States)

    Kitt, Jay P; Bryce, David A; Minteer, Shelley D; Harris, Joel M

    2018-06-05

    The phospholipid-water partition coefficient is a commonly measured parameter that correlates with drug efficacy, small-molecule toxicity, and accumulation of molecules in biological systems in the environment. Despite the utility of this parameter, methods for measuring phospholipid-water partition coefficients are limited. This is due to the difficulty of making quantitative measurements in vesicle membranes or supported phospholipid bilayers, both of which are small-volume phases that challenge the sensitivity of many analytical techniques. In this work, we employ in situ confocal Raman microscopy to probe the partitioning of a model membrane-active compound, 2-(4-isobutylphenyl) propionic acid or ibuprofen, into both hybrid- and supported-phospholipid bilayers deposited on the pore walls of individual chromatographic particles. The large surface-area-to-volume ratio of chromatographic silica allows interrogation of a significant lipid bilayer area within a very small volume. The local phospholipid concentration within a confocal probe volume inside the particle can be as high as 0.5 M, which overcomes the sensitivity limitations of making measurements in the limited membrane areas of single vesicles or planar supported bilayers. Quantitative determination of ibuprofen partitioning is achieved by using the phospholipid acyl-chains of the within-particle bilayer as an internal standard. This approach is tested for measurements of pH-dependent partitioning of ibuprofen into both hybrid-lipid and supported-lipid bilayers within silica particles, and the results are compared with octanol-water partitioning and with partitioning into individual optically trapped phospholipid vesicle membranes. Additionally, the impact of ibuprofen partitioning on bilayer structure is evaluated for both within-particle model membranes and compared with the structural impacts of partitioning into vesicle lipid bilayers.

  2. A detailed aerosol mixing state model for investigating interactions between mixing state, semivolatile partitioning, and coagulation

    Directory of Open Access Journals (Sweden)

    J. Lu

    2010-04-01

    Full Text Available A new method for describing externally mixed particles, the Detailed Aerosol Mixing State (DAMS representation, is presented in this study. This novel method classifies aerosols by both composition and size, using a user-specified mixing criterion to define boundaries between compositional populations. Interactions between aerosol mixing state, semivolatile partitioning, and coagulation are investigated with a Lagrangian box model that incorporates the DAMS approach. Model results predict that mixing state affects the amount and types of semivolatile organics that partition to available aerosol phases, causing external mixtures to produce a more size-varying composition than internal mixtures. Both coagulation and condensation contribute to the mixing of emitted particles, producing a collection of multiple compositionally distinct aerosol populations that exists somewhere between the extremes of a strictly external or internal mixture. The selection of mixing criteria has a significant impact on the size and type of individual populations that compose the modeled aerosol mixture. Computational demands for external mixture modeling are significant and can be controlled by limiting the number of aerosol populations used in the model.

  3. A linear solvation energy relationship model of organic chemical partitioning to dissolved organic carbon.

    Science.gov (United States)

    Kipka, Undine; Di Toro, Dominic M

    2011-09-01

    Predicting the association of contaminants with both particulate and dissolved organic matter is critical in determining the fate and bioavailability of chemicals in environmental risk assessment. To date, the association of a contaminant to particulate organic matter is considered in many multimedia transport models, but the effect of dissolved organic matter is typically ignored due to a lack of either reliable models or experimental data. The partition coefficient to dissolved organic carbon (K(DOC)) may be used to estimate the fraction of a contaminant that is associated with dissolved organic matter. Models relating K(DOC) to the octanol-water partition coefficient (K(OW)) have not been successful for many types of dissolved organic carbon in the environment. Instead, linear solvation energy relationships are proposed to model the association of chemicals with dissolved organic matter. However, more chemically diverse K(DOC) data are needed to produce a more robust model. For humic acid dissolved organic carbon, the linear solvation energy relationship predicts log K(DOC) with a root mean square error of 0.43. Copyright © 2011 SETAC.

  4. Modelling the inventory and impact assessment of partitioning and transmutation approaches to spent nuclear fuel management

    International Nuclear Information System (INIS)

    Hoggett-Jones, C.; Robbins, C.; Gettinby, G.; Blythe, S.

    2002-01-01

    An inventory modelling and impact assessment system to investigate the potential effects of partitioning and transmutation is proposed. It is founded on a mass based inventory analysis using the principles of basic nuclear physics and the international standards for assessing radiological health effects. It is specific to the back-end of the nuclear fuel cycle and is applied to four alternative spent fuel management strategies. The system accounts for the dynamic nature of post-irradiation scenarios and is being used to develop software for use within the nuclear power industry. Four example waste-disposal options are considered using the method. Impact assessments and parameter sensitivity analyses are presented

  5. Modelling the inventory and impact assessment of partitioning and transmutation approaches to spent nuclear fuel management

    Energy Technology Data Exchange (ETDEWEB)

    Hoggett-Jones, C. E-mail: craig@stams.strath.ac.uk; Robbins, C.; Gettinby, G.; Blythe, S

    2002-03-01

    An inventory modelling and impact assessment system to investigate the potential effects of partitioning and transmutation is proposed. It is founded on a mass based inventory analysis using the principles of basic nuclear physics and the international standards for assessing radiological health effects. It is specific to the back-end of the nuclear fuel cycle and is applied to four alternative spent fuel management strategies. The system accounts for the dynamic nature of post-irradiation scenarios and is being used to develop software for use within the nuclear power industry. Four example waste-disposal options are considered using the method. Impact assessments and parameter sensitivity analyses are presented.

  6. Aircraft interior noise models - Sidewall trim, stiffened structures, and cabin acoustics with floor partition

    Science.gov (United States)

    Pope, L. D.; Wilby, E. G.; Willis, C. M.; Mayes, W. H.

    1983-01-01

    As part of the continuing development of an aircraft interior noise prediction model, in which a discrete modal representation and power flow analysis are used, theoretical results are considered for inclusion of sidewall trim, stiffened structures, and cabin acoustics with floor partition. For validation purposes, predictions of the noise reductions for three test articles (a bare ring-stringer stiffened cylinder, an unstiffened cylinder with floor and insulation, and a ring-stringer stiffened cylinder with floor and sidewall trim) are compared with measurements.

  7. Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

    International Nuclear Information System (INIS)

    You, Zhi-Qiang; Herbert, John M.; Mewes, Jan-Michael; Dreuw, Andreas

    2015-01-01

    The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents

  8. Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models

    Energy Technology Data Exchange (ETDEWEB)

    You, Zhi-Qiang; Herbert, John M., E-mail: herbert@chemistry.ohio-state.edu [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210 (United States); Mewes, Jan-Michael; Dreuw, Andreas [Interdisciplinary Center for Scientific Computing, Ruprechts-Karls University, Im Neuenheimer Feld 368, 69120 Heidelberg (Germany)

    2015-11-28

    The Marcus and Pekar partitions are common, alternative models to describe the non-equilibrium dielectric polarization response that accompanies instantaneous perturbation of a solute embedded in a dielectric continuum. Examples of such a perturbation include vertical electronic excitation and vertical ionization of a solution-phase molecule. Here, we provide a general derivation of the accompanying polarization response, for a quantum-mechanical solute described within the framework of a polarizable continuum model (PCM) of electrostatic solvation. Although the non-equilibrium free energy is formally equivalent within the two partitions, albeit partitioned differently into “fast” versus “slow” polarization contributions, discretization of the PCM integral equations fails to preserve certain symmetries contained in these equations (except in the case of the conductor-like models or when the solute cavity is spherical), leading to alternative, non-equivalent matrix equations. Unlike the total equilibrium solvation energy, however, which can differ dramatically between different formulations, we demonstrate that the equivalence of the Marcus and Pekar partitions for the non-equilibrium solvation correction is preserved to high accuracy. Differences in vertical excitation and ionization energies are <0.2 eV (and often <0.01 eV), even for systems specifically selected to afford a large polarization response. Numerical results therefore support the interchangeability of the Marcus and Pekar partitions, but also caution against relying too much on the fast PCM charges for interpretive value, as these charges differ greatly between the two partitions, especially in polar solvents.

  9. Bayesian simultaneous equation models for the analysis of energy intake and partitioning in growing pigs

    DEFF Research Database (Denmark)

    Strathe, Anders Bjerring; Jørgensen, Henry; Kebreab, E

    2012-01-01

    ABSTRACT SUMMARY The objective of the current study was to develop Bayesian simultaneous equation models for modelling energy intake and partitioning in growing pigs. A key feature of the Bayesian approach is that parameters are assigned prior distributions, which may reflect the current state...... of nature. In the models, rates of metabolizable energy (ME) intake, protein deposition (PD) and lipid deposition (LD) were treated as dependent variables accounting for residuals being correlated. Two complementary equation systems were used to model ME intake (MEI), PD and LD. Informative priors were...... developed, reflecting current knowledge about metabolic scaling and partial efficiencies of PD and LD rates, whereas flat non-informative priors were used for the reminder of the parameters. The experimental data analysed originate from a balance and respiration trial with 17 cross-bred pigs of three...

  10. Partitioning of excess mortality in population-based cancer patient survival studies using flexible parametric survival models

    Directory of Open Access Journals (Sweden)

    Eloranta Sandra

    2012-06-01

    Full Text Available Abstract Background Relative survival is commonly used for studying survival of cancer patients as it captures both the direct and indirect contribution of a cancer diagnosis on mortality by comparing the observed survival of the patients to the expected survival in a comparable cancer-free population. However, existing methods do not allow estimation of the impact of isolated conditions (e.g., excess cardiovascular mortality on the total excess mortality. For this purpose we extend flexible parametric survival models for relative survival, which use restricted cubic splines for the baseline cumulative excess hazard and for any time-dependent effects. Methods In the extended model we partition the excess mortality associated with a diagnosis of cancer through estimating a separate baseline excess hazard function for the outcomes under investigation. This is done by incorporating mutually exclusive background mortality rates, stratified by the underlying causes of death reported in the Swedish population, and by introducing cause of death as a time-dependent effect in the extended model. This approach thereby enables modeling of temporal trends in e.g., excess cardiovascular mortality and remaining cancer excess mortality simultaneously. Furthermore, we illustrate how the results from the proposed model can be used to derive crude probabilities of death due to the component parts, i.e., probabilities estimated in the presence of competing causes of death. Results The method is illustrated with examples where the total excess mortality experienced by patients diagnosed with breast cancer is partitioned into excess cardiovascular mortality and remaining cancer excess mortality. Conclusions The proposed method can be used to simultaneously study disease patterns and temporal trends for various causes of cancer-consequent deaths. Such information should be of interest for patients and clinicians as one way of improving prognosis after cancer is

  11. Kinetic modeling of solid-state partitioning phase transformation with simultaneous misfit accommodation

    International Nuclear Information System (INIS)

    Song, Shaojie; Liu, Feng

    2016-01-01

    Considering a spherical misfitting precipitate growing into a finite elastic-perfectly plastic supersaturated matrix, a kinetic modeling for such solid-state partitioning phase transformation is presented, where the interactions of interface migration, solute diffusion and misfit accommodation are analyzed. The linkage between interface migration and solute diffusion proceeds through interfacial composition and interface velocity; their effects on misfit accommodation are mainly manifested in an effective transformation strain, which depends on instantaneous composition field and precipitate size. Taking γ to α transformation of a binary Fe-0.5 at.% C alloy under both isothermal and continuous cooling conditions as examples, the effects of misfit accommodation on the coupling interface migration and solute diffusion are well evaluated and discussed. For the isothermal transformation, a counterbalancing influence between mechanical and chemical driving forces is found so that the mixed-mode transformation kinetics is not sensitive with respect to the elastic–plastic accommodation of the effective misfit strain. Different from the isothermal process, during the continuous cooling condition, the effects of misfit accommodation on the kinetics of solid-state partitioning phase transformation are mainly manifested in the great decrease of the transformation starting temperature and the thermodynamic equilibrium composition. The present kinetic modeling was applied to predict the experimentally measured γ/α transformation of Fe-0.47 at.% C alloy conducted with a cooling rate of 10 K min −1 and a good agreement was achieved.

  12. Biotransformation model of neutral and weakly polar organic compounds in fish incorporating internal partitioning.

    Science.gov (United States)

    Kuo, Dave T F; Di Toro, Dominic M

    2013-08-01

    A model for whole-body in vivo biotransformation of neutral and weakly polar organic chemicals in fish is presented. It considers internal chemical partitioning and uses Abraham solvation parameters as reactivity descriptors. It assumes that only chemicals freely dissolved in the body fluid may bind with enzymes and subsequently undergo biotransformation reactions. Consequently, the whole-body biotransformation rate of a chemical is retarded by the extent of its distribution in different biological compartments. Using a randomly generated training set (n = 64), the biotransformation model is found to be: log (HLφfish ) = 2.2 (±0.3)B - 2.1 (±0.2)V - 0.6 (±0.3) (root mean square error of prediction [RMSE] = 0.71), where HL is the whole-body biotransformation half-life in days, φfish is the freely dissolved fraction in body fluid, and B and V are the chemical's H-bond acceptance capacity and molecular volume. Abraham-type linear free energy equations were also developed for lipid-water (Klipidw ) and protein-water (Kprotw ) partition coefficients needed for the computation of φfish from independent determinations. These were found to be 1) log Klipidw  = 0.77E - 1.10S - 0.47A - 3.52B + 3.37V + 0.84 (in Lwat /kglipid ; n = 248, RMSE = 0.57) and 2) log Kprotw  = 0.74E - 0.37S - 0.13A - 1.37B + 1.06V - 0.88 (in Lwat /kgprot ; n = 69, RMSE = 0.38), where E, S, and A quantify dispersive/polarization, dipolar, and H-bond-donating interactions, respectively. The biotransformation model performs well in the validation of HL (n = 424, RMSE = 0.71). The predicted rate constants do not exceed the transport limit due to circulatory flow. Furthermore, the model adequately captures variation in biotransformation rate between chemicals with varying log octanol-water partitioning coefficient, B, and V and exhibits high degree of independence from the choice of training chemicals. The

  13. Modeling water partition in composite gels of BSA with gelatin following high pressure treatment.

    Science.gov (United States)

    Semasaka, Carine; Mhaske, Pranita; Buckow, Roman; Kasapis, Stefan

    2018-11-01

    Changes in the structural properties of hydrogels made with gelatin and bovine serum albumin mixtures were recorded following exposure to high pressure at 300 MPa for 15 min at 10 and 80 °C. Dynamic oscillation, SEM, FTIR and blending law modelling were utilised to rationalise results. Pressurization at the low temperature end yielded continuous gelatin networks supporting discontinuous BSA inclusions, whereas an inverted dispersion was formed at the high temperature end with the continuous BSA network suspending the discontinuous gelatin inclusions. Lewis and Nielsen equations followed the mechanical properties of the composites thus arguing that solvent partition between the two phases was always in favour of the polymer forming the continuous network. As far as we are aware, this is the first attempt to elucidate the solvent partition in pressurised hydrogel composites using blending law theory. Outcomes were contrasted with earlier work where binary mixtures were subjected only to thermal treatment. Copyright © 2018. Published by Elsevier Ltd.

  14. A model partitioning method based on dynamic decoupling for the efficient simulation of multibody systems

    Energy Technology Data Exchange (ETDEWEB)

    Papadopoulos, Alessandro Vittorio, E-mail: alessandro.papadopoulos@control.lth.se [Lund University, Department of Automatic Control (Sweden); Leva, Alberto, E-mail: alberto.leva@polimi.it [Politecnico di Milano, Dipartimento di Elettronica, Informazione e Bioingegneria (Italy)

    2015-06-15

    The presence of different time scales in a dynamic model significantly hampers the efficiency of its simulation. In multibody systems the fact is particularly relevant, as the mentioned time scales may be very different, due, for example, to the coexistence of mechanical components controled by electronic drive units, and may also appear in conjunction with significant nonlinearities. This paper proposes a systematic technique, based on the principles of dynamic decoupling, to partition a model based on the time scales that are relevant for the particular simulation studies to be performed and as transparently as possible for the user. In accordance with said purpose, peculiar to the technique is its neat separation into two parts: a structural analysis of the model, which is general with respect to any possible simulation scenario, and a subsequent decoupled integration, which can conversely be (easily) tailored to the study at hand. Also, since the technique does not aim at reducing but rather at partitioning the model, the state space and the physical interpretation of the dynamic variables are inherently preserved. Moreover, the proposed analysis allows us to define some novel indices relative to the separability of the system, thereby extending the idea of “stiffness” in a way that is particularly keen to its use for the improvement of simulation efficiency, be the envisaged integration scheme monolithic, parallel, or even based on cosimulation. Finally, thanks to the way the analysis phase is conceived, the technique is naturally applicable to both linear and nonlinear models. The paper contains a methodological presentation of the proposed technique, which is related to alternatives available in the literature so as to evidence the peculiarities just sketched, and some application examples illustrating the achieved advantages and motivating the major design choice from an operational viewpoint.

  15. Coding Partitions

    Directory of Open Access Journals (Sweden)

    Fabio Burderi

    2007-05-01

    Full Text Available Motivated by the study of decipherability conditions for codes weaker than Unique Decipherability (UD, we introduce the notion of coding partition. Such a notion generalizes that of UD code and, for codes that are not UD, allows to recover the ``unique decipherability" at the level of the classes of the partition. By tacking into account the natural order between the partitions, we define the characteristic partition of a code X as the finest coding partition of X. This leads to introduce the canonical decomposition of a code in at most one unambiguouscomponent and other (if any totally ambiguouscomponents. In the case the code is finite, we give an algorithm for computing its canonical partition. This, in particular, allows to decide whether a given partition of a finite code X is a coding partition. This last problem is then approached in the case the code is a rational set. We prove its decidability under the hypothesis that the partition contains a finite number of classes and each class is a rational set. Moreover we conjecture that the canonical partition satisfies such a hypothesis. Finally we consider also some relationships between coding partitions and varieties of codes.

  16. The Benefits of Adaptive Partitioning for Parallel AMR Applications

    Energy Technology Data Exchange (ETDEWEB)

    Steensland, Johan [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Advanced Software Research and Development

    2008-07-01

    Parallel adaptive mesh refinement methods potentially lead to realistic modeling of complex three-dimensional physical phenomena. However, the dynamics inherent in these methods present significant challenges in data partitioning and load balancing. Significant human resources, including time, effort, experience, and knowledge, are required for determining the optimal partitioning technique for each new simulation. In reality, scientists resort to using the on-board partitioner of the computational framework, or to using the partitioning industry standard, ParMetis. Adaptive partitioning refers to repeatedly selecting, configuring and invoking the optimal partitioning technique at run-time, based on the current state of the computer and application. In theory, adaptive partitioning automatically delivers superior performance and eliminates the need for repeatedly spending valuable human resources for determining the optimal static partitioning technique. In practice, however, enabling frameworks are non-existent due to the inherent significant inter-disciplinary research challenges. This paper presents a study of a simple implementation of adaptive partitioning and discusses implied potential benefits from the perspective of common groups of users within computational science. The study is based on a large set of data derived from experiments including six real-life, multi-time-step adaptive applications from various scientific domains, five complementing and fundamentally different partitioning techniques, a large set of parameters corresponding to a wide spectrum of computing environments, and a flexible cost function that considers the relative impact of multiple partitioning metrics and diverse partitioning objectives. The results show that even a simple implementation of adaptive partitioning can automatically generate results statistically equivalent to the best static partitioning. Thus, it is possible to effectively eliminate the problem of determining the

  17. The hydrometeor partitioning and microphysical processes over the Pacific Warm Pool in numerical modeling

    Science.gov (United States)

    Huang, Yi-Chih; Wang, Pao K.

    2017-01-01

    Numerical modeling is conducted to study the hydrometeor partitioning and microphysical source and sink processes during a quasi-steady state of thunderstorms over the Pacific Warm Pool by utilizing the microphysical model WISCDYMM to simulate selected storm cases. The results show that liquid-phase hydrometeors dominate thunderstorm evolution over the Pacific Warm Pool. The ratio of ice-phase mass to liquid-phase mass is about 41%: 59%, indicating that ice-phase water is not as significant over the Pacific Warm Pool as the liquid water compared to the larger than 50% in the subtropics and 80% in the US High Plains in a previous study. Sensitivity tests support the dominance of liquid-phase hydrometeors over the Pacific Warm Pool. The major rain sources are the key hail sinks: melting of hail and shedding from hail; whereas the crucial rain sinks are evaporation and accretion by hail. The major snow sources are Bergeron-Findeisen process, transfer of cloud ice to snow and accretion of cloud water; whereas the foremost sink of snow is accretion by hail. The essential hail sources are accretions of rain, cloud water, and snow; whereas the critical hail sinks are melting of hail and shedding from hail. The contribution and ranking of sources and sinks of these precipitates are compared with the previous study. Hydrometeors have their own special microphysical processes in the development and depletion over the Pacific Warm Pool. Microphysical budgets depend on atmospheric dynamical and thermodynamical conditions which determine the partitioning of hydrometeors. This knowledge would benefit the microphysics parameterization in cloud models and cumulus parameterization in global circulation models.

  18. Partitioning CO2 fluxes with isotopologue measurements and modeling to understand mechanisms of forest carbon sequestration

    Energy Technology Data Exchange (ETDEWEB)

    Saleska, Scott [Univ. of Arizona, Tucson, AZ (United States); Davidson, Eric [Univ. of Arizona, Tucson, AZ (United States); Finzi, Adrien [Boston Univ., MA (United States); Wehr, Richdard [Harvard Univ., Cambridge, MA (United States); Moorcroft, Paul [Harvard Univ., Cambridge, MA (United States)

    2016-01-28

    1. Objectives This project combines automated in situ observations of the isotopologues of CO2 with root observations, novel experimental manipulations of belowground processes, and isotope-enabled ecosystem modeling to investigate mechanisms of below- vs. aboveground carbon sequestration at the Harvard Forest Environmental Measurements Site (EMS). The proposed objectives, which have now been largely accomplished, include: A. Partitioning of net ecosystem CO2 exchange (NEE) into photosynthesis and respiration using long-term continuous observations of the isotopic composition of NEE, and analysis of their dynamics ; B. Investigation of the influence of vegetation phenology on the timing and magnitude of carbon allocated belowground using measurements of root growth and indices of belowground autotrophic vs. heterotrophic respiration (via trenched plots and isotope measurements); C. Testing whether plant allocation of carbon belowground stimulates the microbial decomposition of soil organic matter, using in situ rhizosphere simulation experiments wherein realistic quantities of artificial isotopically-labeled exudates are released into the soil; and D. Synthesis and interpretation of the above data using the Ecosystem Demography Model 2 (ED2). 2. Highlights Accomplishments: • Our isotopic eddy flux record has completed its 5th full year and has been used to independently estimate ecosystem-scale respiration and photosynthesis. • Soil surface chamber isotopic flux measurements were carried out during three growing seasons, in conjunction with a trenching manipulation. Key findings to date (listed by objective): A. Partitioning of Net Ecosystem Exchange: 1. Ecosystem respiration is lower during the day than at night—the first robust evidence of the inhibition of leaf respiration by light (the “Kok effect”) at the ecosystem scale. 2. Because it neglects the Kok effect, the standard NEE partitioning approach overestimates ecosystem photosynthesis (by ~25%) and

  19. Modelling Growth and Partitioning of Annual Above-Ground Vegetative and Reproductive Biomass of Grapevine

    Science.gov (United States)

    Meggio, Franco; Vendrame, Nadia; Maniero, Giovanni; Pitacco, Andrea

    2014-05-01

    grapevine cultivars and years. The results of this study enabled the development of carbon allocation functions of year's above-ground biomass in grapevine. Statistical analyses highlighted key patterns and main drivers involved in the genotypic (genetic factors, cultivar) and phenotypic variability (environmental factors or differences in cultural practices among years) of shoot growth. These results suggest that some caution should be taken when incorporating shoot development and carbon partitioning coefficients in a growth model. Use of common coefficients estimates for all cultivars for dynamic modelling approaches, in fact, may result in a poor representation of the data early or late during the course of the season. The present study may be considered also as a potential database for both the validation of measurements made in vineyards by micrometeorological methods, such as eddy covariance or provide the lack of information coming from life cycle assessment methods recently adapted also to the wine supply chain for carbon footprint assessment.

  20. Ion heating and energy partition at the heliospheric termination shock: hybrid simulations and analytical model

    Energy Technology Data Exchange (ETDEWEB)

    Gary, S Peter [Los Alamos National Laboratory; Winske, Dan [Los Alamos National Laboratory; Wu, Pin [BOSTON UNIV.; Schwadron, N A [BOSTON UNIV.; Lee, M [UNIV OF NEW HAMPSHIRE

    2009-01-01

    The Los Alamos hybrid simulation code is used to examine heating and the partition of dissipation energy at the perpendicular heliospheric termination shock in the presence of pickup ions. The simulations are one-dimensional in space but three-dimensional in field and velocity components, and are carried out for a range of values of pickup ion relative density. Results from the simulations show that because the solar wind ions are relatively cold upstream, the temperature of these ions is raised by a relatively larger factor than the temperature of the pickup ions. An analytic model for energy partition is developed on the basis of the Rankine-Hugoniot relations and a polytropic energy equation. The polytropic index {gamma} used in the Rankine-Hugoniot relations is varied to improve agreement between the model and the simulations concerning the fraction of downstream heating in the pickup ions as well as the compression ratio at the shock. When the pickup ion density is less than 20%, the polytropic index is about 5/3, whereas for pickup ion densities greater than 20%, the polytropic index tends toward 2.2, suggesting a fundamental change in the character of the shock, as seen in the simulations, when the pickup ion density is large. The model and the simulations both indicate for the upstream parameters chosen for Voyager 2 conditions that the pickup ion density is about 25% and the pickup ions gain the larger share (approximately 90%) of the downstream thermal pressure, consistent with Voyager 2 observations near the shock.

  1. The Train Driver Recovery Problem - a Set Partitioning Based Model and Solution Method

    DEFF Research Database (Denmark)

    Rezanova, Natalia Jurjevna; Ryan, David

    2010-01-01

    The need to recover a train driver schedule occurs during major disruptions in the daily railway operations. Based on data from the Danish passenger railway operator DSB S-tog A/S, a solution method to the train driver recovery problem (TDRP) is developed. The TDRP is formulated as a set...... branching strategy using the depth-first search of the Branch & Bound tree. The LP relaxation of the TDRP possesses strong integer properties. We present test scenarios generated from the historical real-life operations data of DSB S-tog A/S. The numerical results show that all but one tested instances...... partitioning problem. We define a disruption neighbourhood by identifying a small set of drivers and train tasks directly affected by the disruption. Based on the disruption neighbourhood, the TDRP model is formed and solved. If the TDRP solution provides a feasible recovery for the drivers within...

  2. An evolutionary game theoretical model shows the limitations of the additive partitioning method for interpreting biodiversity experiments

    NARCIS (Netherlands)

    Vermeulen, Peter J.; Ruijven, van Jasper; Anten, Niels P.R.; Werf, van der Wopke; Satake, Akiko

    2017-01-01

    1.The relationship between diversity and ecosystem functioning is often analysed by partitioning the change in species performance in mixtures into a complementarity effect (CE) and a selection effect (SE). There is continuing ambiguity in the literature on the interpretation of these effects,

  3. Exact protein distributions for stochastic models of gene expression using partitioning of Poisson processes.

    Science.gov (United States)

    Pendar, Hodjat; Platini, Thierry; Kulkarni, Rahul V

    2013-04-01

    Stochasticity in gene expression gives rise to fluctuations in protein levels across a population of genetically identical cells. Such fluctuations can lead to phenotypic variation in clonal populations; hence, there is considerable interest in quantifying noise in gene expression using stochastic models. However, obtaining exact analytical results for protein distributions has been an intractable task for all but the simplest models. Here, we invoke the partitioning property of Poisson processes to develop a mapping that significantly simplifies the analysis of stochastic models of gene expression. The mapping leads to exact protein distributions using results for mRNA distributions in models with promoter-based regulation. Using this approach, we derive exact analytical results for steady-state and time-dependent distributions for the basic two-stage model of gene expression. Furthermore, we show how the mapping leads to exact protein distributions for extensions of the basic model that include the effects of posttranscriptional and posttranslational regulation. The approach developed in this work is widely applicable and can contribute to a quantitative understanding of stochasticity in gene expression and its regulation.

  4. Exact protein distributions for stochastic models of gene expression using partitioning of Poisson processes

    Science.gov (United States)

    Pendar, Hodjat; Platini, Thierry; Kulkarni, Rahul V.

    2013-04-01

    Stochasticity in gene expression gives rise to fluctuations in protein levels across a population of genetically identical cells. Such fluctuations can lead to phenotypic variation in clonal populations; hence, there is considerable interest in quantifying noise in gene expression using stochastic models. However, obtaining exact analytical results for protein distributions has been an intractable task for all but the simplest models. Here, we invoke the partitioning property of Poisson processes to develop a mapping that significantly simplifies the analysis of stochastic models of gene expression. The mapping leads to exact protein distributions using results for mRNA distributions in models with promoter-based regulation. Using this approach, we derive exact analytical results for steady-state and time-dependent distributions for the basic two-stage model of gene expression. Furthermore, we show how the mapping leads to exact protein distributions for extensions of the basic model that include the effects of posttranscriptional and posttranslational regulation. The approach developed in this work is widely applicable and can contribute to a quantitative understanding of stochasticity in gene expression and its regulation.

  5. CO2 enrichment and carbon partitioning to phenolics: do plant responses accord better with the protein competition or the growth-differentiation balance models?

    Science.gov (United States)

    W.J. Mattson; R. Julkunen-Tiitto; D.A. Herms

    2005-01-01

    Rising levels of atmospheric CO2 can alter plant growth and partitioning to secondary metabolites. The protein competition model (PCM) and the extended growth/differentiation balance model (GDBe) are similar but alternative models that address ontogenetic and environmental effects on whole-plant carbon partitioning to the...

  6. Simulation of a pulsatile total artificial heart: Development of a partitioned Fluid Structure Interaction model

    Science.gov (United States)

    Sonntag, Simon J.; Kaufmann, Tim A. S.; Büsen, Martin R.; Laumen, Marco; Linde, Torsten; Schmitz-Rode, Thomas; Steinseifer, Ulrich

    2013-04-01

    Heart disease is one of the leading causes of death in the world. Due to a shortage in donor organs artificial hearts can be a bridge to transplantation or even serve as a destination therapy for patients with terminal heart insufficiency. A pusher plate driven pulsatile membrane pump, the Total Artificial Heart (TAH) ReinHeart, is currently under development at the Institute of Applied Medical Engineering of RWTH Aachen University.This paper presents the methodology of a fully coupled three-dimensional time-dependent Fluid Structure Interaction (FSI) simulation of the TAH using a commercial partitioned block-Gauss-Seidel coupling package. Partitioned coupling of the incompressible fluid with the slender flexible membrane as well as a high fluid/structure density ratio of about unity led inherently to a deterioration of the stability (‘artificial added mass instability’). The objective was to conduct a stable simulation with high accuracy of the pumping process. In order to achieve stability, a combined resistance and pressure outlet boundary condition as well as the interface artificial compressibility method was applied. An analysis of the contact algorithm and turbulence condition is presented. Independence tests are performed for the structural and the fluid mesh, the time step size and the number of pulse cycles. Because of the large deformation of the fluid domain, a variable mesh stiffness depending on certain mesh properties was specified for the fluid elements. Adaptive remeshing was avoided. Different approaches for the mesh stiffness function are compared with respect to convergence, preservation of mesh topology and mesh quality. The resulting mesh aspect ratios, mesh expansion factors and mesh orthogonalities are evaluated in detail. The membrane motion and flow distribution of the coupled simulations are compared with a top-view recording and stereo Particle Image Velocimetry (PIV) measurements, respectively, of the actual pump.

  7. Exploiting on-node heterogeneity for in-situ analytics of climate simulations via a functional partitioning framework

    Science.gov (United States)

    Sapra, Karan; Gupta, Saurabh; Atchley, Scott; Anantharaj, Valentine; Miller, Ross; Vazhkudai, Sudharshan

    2016-04-01

    Efficient resource utilization is critical for improved end-to-end computing and workflow of scientific applications. Heterogeneous node architectures, such as the GPU-enabled Titan supercomputer at the Oak Ridge Leadership Computing Facility (OLCF), present us with further challenges. In many HPC applications on Titan, the accelerators are the primary compute engines while the CPUs orchestrate the offloading of work onto the accelerators, and moving the output back to the main memory. On the other hand, applications that do not exploit GPUs, the CPU usage is dominant while the GPUs idle. We utilized Heterogenous Functional Partitioning (HFP) runtime framework that can optimize usage of resources on a compute node to expedite an application's end-to-end workflow. This approach is different from existing techniques for in-situ analyses in that it provides a framework for on-the-fly analysis on-node by dynamically exploiting under-utilized resources therein. We have implemented in the Community Earth System Model (CESM) a new concurrent diagnostic processing capability enabled by the HFP framework. Various single variate statistics, such as means and distributions, are computed in-situ by launching HFP tasks on the GPU via the node local HFP daemon. Since our current configuration of CESM does not use GPU resources heavily, we can move these tasks to GPU using the HFP framework. Each rank running the atmospheric model in CESM pushes the variables of of interest via HFP function calls to the HFP daemon. This node local daemon is responsible for receiving the data from main program and launching the designated analytics tasks on the GPU. We have implemented these analytics tasks in C and use OpenACC directives to enable GPU acceleration. This methodology is also advantageous while executing GPU-enabled configurations of CESM when the CPUs will be idle during portions of the runtime. In our implementation results, we demonstrate that it is more efficient to use HFP

  8. An Evaluation of Semiempirical Models for Partitioning Photosynthetically Active Radiation Into Diffuse and Direct Beam Components

    Science.gov (United States)

    Oliphant, Andrew J.; Stoy, Paul C.

    2018-03-01

    Photosynthesis is more efficient under diffuse than direct beam photosynthetically active radiation (PAR) per unit PAR, but diffuse PAR is infrequently measured at research sites. We examine four commonly used semiempirical models (Erbs et al., 1982, https://doi.org/10.1016/0038-092X(82)90302-4; Gu et al., 1999, https://doi.org/10.1029/1999JD901068; Roderick, 1999, https://doi.org/10.1016/S0168-1923(99)00028-3; Weiss & Norman, 1985, https://doi.org/10.1016/0168-1923(85)90020-6) that partition PAR into diffuse and direct beam components based on the negative relationship between atmospheric transparency and scattering of PAR. Radiation observations at 58 sites (140 site years) from the La Thuille FLUXNET data set were used for model validation and coefficient testing. All four models did a reasonable job of predicting the diffuse fraction of PAR (ϕ) at the 30 min timescale, with site median r2 values ranging between 0.85 and 0.87, model efficiency coefficients (MECs) between 0.62 and 0.69, and regression slopes within 10% of unity. Model residuals were not strongly correlated with astronomical or standard meteorological variables. We conclude that the Roderick (1999, https://doi.org/10.1016/S0168-1923(99)00028-3) and Gu et al. (1999, https://doi.org/10.1029/1999JD901068) models performed better overall than the two older models. Using the basic form of these models, the data set was used to find both individual site and universal model coefficients that optimized predictive accuracy. A new universal form of the model is presented in section 5 that increased site median MEC to 0.73. Site-specific model coefficients increased median MEC further to 0.78, indicating usefulness of local/regional training of coefficients to capture the local distributions of aerosols and cloud types.

  9. Experimental determination and thermodynamic modeling of phase equilibrium and protein partitioning in aqueous two-phase systems containing biodegradable salts

    International Nuclear Information System (INIS)

    Perez, Brenda; Malpiedi, Luciana Pellegrini; Tubío, Gisela; Nerli, Bibiana; Alcântara Pessôa Filho, Pedro de

    2013-01-01

    Highlights: ► Binodal data of systems (water + polyethyleneglycol + sodium) succinate are reported. ► Pitzer model describes the phase equilibrium of systems formed by polyethyleneglycol and biodegradable salts satisfactorily. ► This simple thermodynamic framework was able to predict the partitioning behaviour of model proteins acceptably well. - Abstract: Phase diagrams of sustainable aqueous two-phase systems (ATPSs) formed by polyethyleneglycols (PEGs) of different average molar masses (4000, 6000, and 8000) and sodium succinate are reported in this work. Partition coefficients (Kps) of seven model proteins: bovine serum albumin, catalase, beta-lactoglobulin, alpha-amylase, lysozyme, pepsin, urease and trypsin were experimentally determined in these systems and in ATPSs formed by the former PEGs and other biodegradable sodium salts: citrate and tartrate. An extension of Pitzer model comprising long and short-range term contributions to the excess Gibbs free energy was used to describe the (liquid + liquid) equilibrium. Comparison between experimental and calculated tie line data showed mean deviations always lower than 3%, thus indicating a good correlation. The partition coefficients were modeled by using the same thermodynamic approach. Predicted and experimental partition coefficients correlated quite successfully. Mean deviations were found to be lower than the experimental uncertainty for most of the assayed proteins.

  10. Coupled metal partitioning dynamics and toxicodynamics at biointerfaces: a theory beyond the biotic ligand model framework.

    Science.gov (United States)

    Duval, Jérôme F L

    2016-04-14

    A mechanistic understanding of the processes governing metal toxicity to microorganisms (bacteria, algae) calls for an adequate formulation of metal partitioning at biointerfaces during cell exposure. This includes the account of metal transport dynamics from bulk solution to biomembrane and the kinetics of metal internalisation, both potentially controlling the intracellular and surface metal fractions that originate cell growth inhibition. A theoretical rationale is developed here for such coupled toxicodynamics and interfacial metal partitioning dynamics under non-complexing medium conditions with integration of the defining cell electrostatic properties. The formalism explicitly considers intertwined metal adsorption at the biointerface, intracellular metal excretion, cell growth and metal depletion from bulk solution. The theory is derived under relevant steady-state metal transport conditions on the basis of coupled Nernst-Planck equation and continuous logistic equation modified to include metal-induced cell growth inhibition and cell size changes. Computational examples are discussed to identify limitations of the classical Biotic Ligand Model (BLM) in evaluating metal toxicity over time. In particular, BLM is shown to severely underestimate metal toxicity depending on cell exposure time, metal internalisation kinetics, cell surface electrostatics and initial cell density. Analytical expressions are provided for the interfacial metal concentration profiles in the limit where cell-growth is completely inhibited. A rigorous relationship between time-dependent cell density and metal concentrations at the biosurface and in bulk solution is further provided, which unifies previous equations formulated by Best and Duval under constant cell density and cell size conditions. The theory is sufficiently flexible to adapt to toxicity scenarios with involved cell survival-death processes.

  11. Gene Duplication of the zebrafish kit ligand and partitioning of melanocyte development functions to kit ligand a.

    Directory of Open Access Journals (Sweden)

    Keith A Hultman

    2007-01-01

    Full Text Available The retention of particular genes after the whole genome duplication in zebrafish has given insights into how genes may evolve through partitioning of ancestral functions. We examine the partitioning of expression patterns and functions of two zebrafish kit ligands, kit ligand a (kitla and kit ligand b (kitlb, and discuss their possible coevolution with the duplicated zebrafish kit receptors (kita and kitb. In situ hybridizations show that kitla mRNA is expressed in the trunk adjacent to the notochord in the middle of each somite during stages of melanocyte migration and later expressed in the skin, when the receptor is required for melanocyte survival. kitla is also expressed in other regions complementary to kita receptor expression, including the pineal gland, tail bud, and ear. In contrast, kitlb mRNA is expressed in brain ventricles, ear, and cardinal vein plexus, in regions generally not complementary to either zebrafish kit receptor ortholog. However, like kitla, kitlb is expressed in the skin during stages consistent with melanocyte survival. Thus, it appears that kita and kitla have maintained congruent expression patterns, while kitb and kitlb have evolved divergent expression patterns. We demonstrate the interaction of kita and kitla by morpholino knockdown analysis. kitla morphants, but not kitlb morphants, phenocopy the null allele of kita, with defects for both melanocyte migration and survival. Furthermore, kitla morpholino, but not kitlb morpholino, interacts genetically with a sensitized allele of kita, confirming that kitla is the functional ligand to kita. Last, we examine kitla overexpression in embryos, which results in hyperpigmentation caused by an increase in the number and size of melanocytes. This hyperpigmentation is dependent on kita function. We conclude that following genome duplication, kita and kitla have maintained their receptor-ligand relationship, coevolved complementary expression patterns, and that

  12. Nonparametric Transfer Function Models

    Science.gov (United States)

    Liu, Jun M.; Chen, Rong; Yao, Qiwei

    2009-01-01

    In this paper a class of nonparametric transfer function models is proposed to model nonlinear relationships between ‘input’ and ‘output’ time series. The transfer function is smooth with unknown functional forms, and the noise is assumed to be a stationary autoregressive-moving average (ARMA) process. The nonparametric transfer function is estimated jointly with the ARMA parameters. By modeling the correlation in the noise, the transfer function can be estimated more efficiently. The parsimonious ARMA structure improves the estimation efficiency in finite samples. The asymptotic properties of the estimators are investigated. The finite-sample properties are illustrated through simulations and one empirical example. PMID:20628584

  13. Twist-writhe partitioning in a coarse-grained DNA minicircle model

    Science.gov (United States)

    Sayar, Mehmet; Avşaroǧlu, Barış; Kabakçıoǧlu, Alkan

    2010-04-01

    Here we present a systematic study of supercoil formation in DNA minicircles under varying linking number by using molecular-dynamics simulations of a two-bead coarse-grained model. Our model is designed with the purpose of simulating long chains without sacrificing the characteristic structural properties of the DNA molecule, such as its helicity, backbone directionality, and the presence of major and minor grooves. The model parameters are extracted directly from full-atomistic simulations of DNA oligomers via Boltzmann inversion; therefore, our results can be interpreted as an extrapolation of those simulations to presently inaccessible chain lengths and simulation times. Using this model, we measure the twist/writhe partitioning in DNA minicircles, in particular its dependence on the chain length and excess linking number. We observe an asymmetric supercoiling transition consistent with experiments. Our results suggest that the fraction of the linking number absorbed as twist and writhe is nontrivially dependent on chain length and excess linking number. Beyond the supercoiling transition, chains of the order of one persistence length carry equal amounts of twist and writhe. For longer chains, an increasing fraction of the linking number is absorbed by the writhe.

  14. The Value of Hydrograph Partitioning Curves for Calibrating Hydrological Models in Glacierized Basins

    Science.gov (United States)

    He, Zhihua; Vorogushyn, Sergiy; Unger-Shayesteh, Katy; Gafurov, Abror; Kalashnikova, Olga; Omorova, Elvira; Merz, Bruno

    2018-03-01

    This study refines the method for calibrating a glacio-hydrological model based on Hydrograph Partitioning Curves (HPCs), and evaluates its value in comparison to multidata set optimization approaches which use glacier mass balance, satellite snow cover images, and discharge. The HPCs are extracted from the observed flow hydrograph using catchment precipitation and temperature gradients. They indicate the periods when the various runoff processes, such as glacier melt or snow melt, dominate the basin hydrograph. The annual cumulative curve of the difference between average daily temperature and melt threshold temperature over the basin, as well as the annual cumulative curve of average daily snowfall on the glacierized areas are used to identify the starting and end dates of snow and glacier ablation periods. Model parameters characterizing different runoff processes are calibrated on different HPCs in a stepwise and iterative way. Results show that the HPC-based method (1) delivers model-internal consistency comparably to the tri-data set calibration method; (2) improves the stability of calibrated parameter values across various calibration periods; and (3) estimates the contributions of runoff components similarly to the tri-data set calibration method. Our findings indicate the potential of the HPC-based approach as an alternative for hydrological model calibration in glacierized basins where other calibration data sets than discharge are often not available or very costly to obtain.

  15. A Human Rights and History Education Model for Teaching about Historical Events of Mass Violence: The 1947 British India Partition

    Science.gov (United States)

    Chhabra, Meenakshi

    2017-01-01

    This article examines singular historical narratives of the 1947 British India Partition in four history textbooks from India, Pakistan, Bangladesh, and Britain, respectively. Drawing on analysis and work in the field, this study proposes a seven-module "integrated snail model" with a human rights orientation that can be applied to…

  16. Design of New Test Function Model Based on Multi-objective Optimization Method

    Directory of Open Access Journals (Sweden)

    Zhaoxia Shang

    2017-01-01

    Full Text Available Space partitioning method, as a new algorism, has been applied to planning and decision-making of investment portfolio more and more often. But currently there are so few testing function for this algorism, which has greatly restrained its further development and application. An innovative test function model is designed in this paper and is used to test the algorism. It is proved that for evaluation of space partitioning method in certain applications, this test function has fairly obvious advantage.

  17. RNAdualPF: software to compute the dual partition function with sample applications in molecular evolution theory.

    Science.gov (United States)

    Garcia-Martin, Juan Antonio; Bayegan, Amir H; Dotu, Ivan; Clote, Peter

    2016-10-19

    RNA inverse folding is the problem of finding one or more sequences that fold into a user-specified target structure s 0 , i.e. whose minimum free energy secondary structure is identical to the target s 0 . Here we consider the ensemble of all RNA sequences that have low free energy with respect to a given target s 0 . We introduce the program RNAdualPF, which computes the dual partition function Z ∗ , defined as the sum of Boltzmann factors exp(-E(a,s 0 )/RT) of all RNA nucleotide sequences a compatible with target structure s 0 . Using RNAdualPF, we efficiently sample RNA sequences that approximately fold into s 0 , where additionally the user can specify IUPAC sequence constraints at certain positions, and whether to include dangles (energy terms for stacked, single-stranded nucleotides). Moreover, since we also compute the dual partition function Z ∗ (k) over all sequences having GC-content k, the user can require that all sampled sequences have a precise, specified GC-content. Using Z ∗ , we compute the dual expected energy 〈E ∗ 〉, and use it to show that natural RNAs from the Rfam 12.0 database have higher minimum free energy than expected, thus suggesting that functional RNAs are under evolutionary pressure to be only marginally thermodynamically stable. We show that C. elegans precursor microRNA (pre-miRNA) is significantly non-robust with respect to mutations, by comparing the robustness of each wild type pre-miRNA sequence with 2000 [resp. 500] sequences of the same GC-content generated by RNAdualPF, which approximately [resp. exactly] fold into the wild type target structure. We confirm and strengthen earlier findings that precursor microRNAs and bacterial small noncoding RNAs display plasticity, a measure of structural diversity. We describe RNAdualPF, which rapidly computes the dual partition function Z ∗ and samples sequences having low energy with respect to a target structure, allowing sequence constraints and specified GC

  18. Comparison of modeling approaches for carbon partitioning: Impact on estimates of global net primary production and equilibrium biomass of woody vegetation from MODIS GPP

    Science.gov (United States)

    Takeshi Ise; Creighton M. Litton; Christian P. Giardina; Akihiko Ito

    2010-01-01

    Partitioning of gross primary production (GPP) to aboveground versus belowground, to growth versus respiration, and to short versus long�]lived tissues exerts a strong influence on ecosystem structure and function, with potentially large implications for the global carbon budget. A recent meta-analysis of forest ecosystems suggests that carbon partitioning...

  19. Temporal energy partitions of Florida extreme sea level events as a function of Atlantic multidecadal oscillation

    Directory of Open Access Journals (Sweden)

    J. Park

    2010-06-01

    Full Text Available An energy-conservative metric based on the discrete wavelet transform is applied to assess the relative energy distribution of extreme sea level events across different temporal scales. The metric is applied to coastal events at Key West and Pensacola Florida as a function of two Atlantic Multidecadal Oscillation (AMO regimes. Under AMO warm conditions there is a small but significant redistribution of event energy from nearly static into more dynamic (shorter duration timescales at Key West, while at Pensacola the AMO-dependent changes in temporal event behaviour are less pronounced. Extreme events with increased temporal dynamics might be consistent with an increase in total energy of event forcings which may be a reflection of more energetic storm events during AMO warm phases. As dynamical models mature to the point of providing regional climate index predictability, coastal planners may be able to consider such temporal change metrics in planning scenarios.

  20. Neuromuscular partitioning in the extensor carpi radialis longus and brevis based on intramuscular nerve distribution patterns: A three-dimensional modeling study.

    Science.gov (United States)

    Ravichandiran, Mayoorendra; Ravichandiran, Nisanthini; Ravichandiran, Kajeandra; McKee, Nancy H; Richardson, Denyse; Oliver, Michele; Agur, Anne M

    2012-04-01

    Differential activation of specific regions within a skeletal muscle has been linked to the presence of neuromuscular compartments. However, few studies have investigated the extra- or intramuscular innervation throughout the muscle volume of extensor carpi radialis longus (ECRL) and brevis (ECRB). The aim of this study was to determine the presence of neuromuscular partitions in ECRL and ECRB based on the extra- and intramuscular innervation using three-dimensional modeling. The extra- and intramuscular nerve distribution was digitized and reconstructed in 3D in all the muscle volumes using Autodesk Maya in seven formalin embalmed cadaveric specimens (mean age, 75.7 ± 15.2 years). The intramuscular nerve distribution was modeled in all the muscle volumes. ECRL was found to have two neuromuscular compartments, superficial and deep. One branch from the radial nerve proper was found to innervate ECRL. This branch was divided into anterior and posterior branches to the superficial and deep compartments, respectively. Five innervation patterns were identified in ECRB with partitioning of the muscle belly into two, three, or four compartments, in a proximal to distal direction depending on the number of nerve branches entering the muscle belly. The ECRL and ECRB both demonstrated neuromuscular compartmentalization based on intramuscular innervation. According to the partitioning hypothesis, a muscle may be differentially activated depending on the required function of the muscle, thus allowing multifunctional muscles to contribute to a variety of movements. Therefore, the increased number of neuromuscular partitions in ECRB when compared with ECRL could be due to the need for more differential recruitment in the ECRB depending on force requirements. Copyright © 2011 Wiley Periodicals, Inc.

  1. Partitioning into hazard subregions for regional peaks-over-threshold modeling of heavy precipitation

    Science.gov (United States)

    Carreau, J.; Naveau, P.; Neppel, L.

    2017-05-01

    The French Mediterranean is subject to intense precipitation events occurring mostly in autumn. These can potentially cause flash floods, the main natural danger in the area. The distribution of these events follows specific spatial patterns, i.e., some sites are more likely to be affected than others. The peaks-over-threshold approach consists in modeling extremes, such as heavy precipitation, by the generalized Pareto (GP) distribution. The shape parameter of the GP controls the probability of extreme events and can be related to the hazard level of a given site. When interpolating across a region, the shape parameter should reproduce the observed spatial patterns of the probability of heavy precipitation. However, the shape parameter estimators have high uncertainty which might hide the underlying spatial variability. As a compromise, we choose to let the shape parameter vary in a moderate fashion. More precisely, we assume that the region of interest can be partitioned into subregions with constant hazard level. We formalize the model as a conditional mixture of GP distributions. We develop a two-step inference strategy based on probability weighted moments and put forward a cross-validation procedure to select the number of subregions. A synthetic data study reveals that the inference strategy is consistent and not very sensitive to the selected number of subregions. An application on daily precipitation data from the French Mediterranean shows that the conditional mixture of GPs outperforms two interpolation approaches (with constant or smoothly varying shape parameter).

  2. Near Source Energy Partitioning for Regional Waves in 2D and 3D Models

    National Research Council Canada - National Science Library

    Xie, Xiao-Bi; Lay, Thome; Wu, Ru-Shan

    2008-01-01

    ...) to calculate seismic wave excitation and propagation in near-source region. An embedded array slowness analysis is used for quantifying how energy will be partitioned into the long-range propagation regime...

  3. The Potts model and flows. 1. The pair correlation function

    International Nuclear Information System (INIS)

    Essam, J.W.; Tsallis, C.

    1985-01-01

    It is shown that the partition function for the lambda-state Potts model with pair-interactions is related to the expected number of integer mod-lambda flows in a percolation model. The relation is generalised to the pair correlation function. The resulting high temperature expansion coefficients are shown to be the flow polynomials of graph theory. An observation of Tsallis and Levy concerning the equivalent transmissivity of a cluster is also proved. (Author) [pt

  4. A non-conventional watershed partitioning method for semi-distributed hydrological modelling: the package ALADHYN

    Science.gov (United States)

    Menduni, Giovanni; Pagani, Alessandro; Rulli, Maria Cristina; Rosso, Renzo

    2002-02-01

    The extraction of the river network from a digital elevation model (DEM) plays a fundamental role in modelling spatially distributed hydrological processes. The present paper deals with a new two-step procedure based on the preliminary identification of an ideal drainage network (IDN) from contour lines through a variable mesh size, and the further extraction of the actual drainage network (AND) from the IDN using land morphology. The steepest downslope direction search is used to identify individual channels, which are further merged into a network path draining to a given node of the IDN. The contributing area, peaks and saddles are determined by means of a steepest upslope direction search. The basin area is thus partitioned into physically based finite elements enclosed by irregular polygons. Different methods, i.e. the constant and variable threshold area methods, the contour line curvature method, and a topologic method descending from the Hortonian ordering scheme, are used to extract the ADN from the IDN. The contour line curvature method is shown to provide the most appropriate method from a comparison with field surveys. Using the ADN one can model the hydrological response of any sub-basin using a semi-distributed approach. The model presented here combines storm abstraction by the SCS-CN method with surface runoff routing as a geomorphological dispersion process. This is modelled using the gamma instantaneous unit hydrograph as parameterized by river geomorphology. The results are implemented using a project-oriented software facility for the Analysis of LAnd Digital HYdrological Networks (ALADHYN).

  5. Partitioning the impacts of spatial and climatological rainfall variability in urban drainage modeling

    Science.gov (United States)

    Peleg, Nadav; Blumensaat, Frank; Molnar, Peter; Fatichi, Simone; Burlando, Paolo

    2017-03-01

    The performance of urban drainage systems is typically examined using hydrological and hydrodynamic models where rainfall input is uniformly distributed, i.e., derived from a single or very few rain gauges. When models are fed with a single uniformly distributed rainfall realization, the response of the urban drainage system to the rainfall variability remains unexplored. The goal of this study was to understand how climate variability and spatial rainfall variability, jointly or individually considered, affect the response of a calibrated hydrodynamic urban drainage model. A stochastic spatially distributed rainfall generator (STREAP - Space-Time Realizations of Areal Precipitation) was used to simulate many realizations of rainfall for a 30-year period, accounting for both climate variability and spatial rainfall variability. The generated rainfall ensemble was used as input into a calibrated hydrodynamic model (EPA SWMM - the US EPA's Storm Water Management Model) to simulate surface runoff and channel flow in a small urban catchment in the city of Lucerne, Switzerland. The variability of peak flows in response to rainfall of different return periods was evaluated at three different locations in the urban drainage network and partitioned among its sources. The main contribution to the total flow variability was found to originate from the natural climate variability (on average over 74 %). In addition, the relative contribution of the spatial rainfall variability to the total flow variability was found to increase with longer return periods. This suggests that while the use of spatially distributed rainfall data can supply valuable information for sewer network design (typically based on rainfall with return periods from 5 to 15 years), there is a more pronounced relevance when conducting flood risk assessments for larger return periods. The results show the importance of using multiple distributed rainfall realizations in urban hydrology studies to capture the

  6. Partitioning the regional and local drivers of phylogenetic and functional diversity along temperate elevational gradients on an East Asian peninsula.

    Science.gov (United States)

    Chun, Jung-Hwa; Lee, Chang-Bae

    2018-02-12

    Species-centric approaches to biodiversity in ecological research are limited in their ability to reflect the evolutionary history and functional diversity of community assembly. Recently, the introduction of alternative facets of biodiversity, such as phylogenetic and functional diversity, has shed light on this problem and improved our understanding of the processes underlying biodiversity patterns. Here, we investigated the phylogenetic and functional diversity patterns of α, β and γ components in woody plant assemblages along regional and local elevational gradients in South Korea. Although the patterns of phylogenetic and functional diversity varied along regional and local elevational transects, the main drivers were partitioned into two categories: regional area or climate for phylogenetic diversity, depending on whether the transect was at a regional or local scale; and habitat heterogeneity for functional diversity, which was derived in elevational bands. Moreover, environmental distance was more important than was geographic distance for phylogenetic and functional β diversity between paired elevational bands. These results support the hypothesis that niche-based deterministic processes such as environmental filtering and competitive exclusion are fundamental in structuring woody plant assemblages along temperate elevational gradients regardless of scale (regional vs. local) in our study areas.

  7. The one-loop partition function of N=4 super-Yang-Mills theory on RxS3

    International Nuclear Information System (INIS)

    Spradlin, Marcus; Volovich, Anastasia

    2005-01-01

    We study weakly coupled SU(N)N=4 super-Yang-Mills theory on RxS 3 at infinite N, which has interesting thermodynamics, including a Hagedorn transition, even at zero Yang-Mills coupling. We calculate the exact one-loop partition function below the Hagedorn temperature. Our calculation employs the representation of the one-loop dilatation operator as a spin chain Hamiltonian acting on neighboring sites and a generalization of Polya's counting of necklaces (gauge-invariant operators) to include necklaces with a 'pendant' (an operator which acts on neighboring beads). We find that the one-loop correction to the Hagedorn temperature is δlnT H =+λ/8π 2

  8. Constraining the kinematics of metropolitan Los Angeles faults with a slip-partitioning model.

    Science.gov (United States)

    Daout, S; Barbot, S; Peltzer, G; Doin, M-P; Liu, Z; Jolivet, R

    2016-11-16

    Due to the limited resolution at depth of geodetic and other geophysical data, the geometry and the loading rate of the ramp-décollement faults below the metropolitan Los Angeles are poorly understood. Here we complement these data by assuming conservation of motion across the Big Bend of the San Andreas Fault. Using a Bayesian approach, we constrain the geometry of the ramp-décollement system from the Mojave block to Los Angeles and propose a partitioning of the convergence with 25.5 ± 0.5 mm/yr and 3.1 ± 0.6 mm/yr of strike-slip motion along the San Andreas Fault and the Whittier Fault, with 2.7 ± 0.9 mm/yr and 2.5 ± 1.0 mm/yr of updip movement along the Sierra Madre and the Puente Hills thrusts. Incorporating conservation of motion in geodetic models of strain accumulation reduces the number of free parameters and constitutes a useful methodology to estimate the tectonic loading and seismic potential of buried fault networks.

  9. Diet reconstruction and resource partitioning of a Caribbean marine mesopredator using stable isotope bayesian modelling.

    Science.gov (United States)

    Tilley, Alexander; López-Angarita, Juliana; Turner, John R

    2013-01-01

    The trophic ecology of epibenthic mesopredators is not well understood in terms of prey partitioning with sympatric elasmobranchs or their effects on prey communities, yet the importance of omnivores in community trophic dynamics is being increasingly realised. This study used stable isotope analysis of (15)N and (13)C to model diet composition of wild southern stingrays Dasyatis americana and compare trophic niche space to nurse sharks Ginglymostoma cirratum and Caribbean reef sharks Carcharhinus perezi on Glovers Reef Atoll, Belize. Bayesian stable isotope mixing models were used to investigate prey choice as well as viable Diet-Tissue Discrimination Factors for use with stingrays. Stingray δ(15)N values showed the greatest variation and a positive relationship with size, with an isotopic niche width approximately twice that of sympatric species. Shark species exhibited comparatively restricted δ(15)N values and greater δ(13)C variation, with very little overlap of stingray niche space. Mixing models suggest bivalves and annelids are proportionally more important prey in the stingray diet than crustaceans and teleosts at Glovers Reef, in contrast to all but one published diet study using stomach contents from other locations. Incorporating gut contents information from the literature, we suggest diet-tissue discrimination factors values of Δ(15)N ≈ 2.7‰ and Δ(13)C ≈ 0.9‰ for stingrays in the absence of validation experiments. The wide trophic niche and lower trophic level exhibited by stingrays compared to sympatric sharks supports their putative role as important base stabilisers in benthic systems, with the potential to absorb trophic perturbations through numerous opportunistic prey interactions.

  10. Diet reconstruction and resource partitioning of a Caribbean marine mesopredator using stable isotope bayesian modelling.

    Directory of Open Access Journals (Sweden)

    Alexander Tilley

    Full Text Available The trophic ecology of epibenthic mesopredators is not well understood in terms of prey partitioning with sympatric elasmobranchs or their effects on prey communities, yet the importance of omnivores in community trophic dynamics is being increasingly realised. This study used stable isotope analysis of (15N and (13C to model diet composition of wild southern stingrays Dasyatis americana and compare trophic niche space to nurse sharks Ginglymostoma cirratum and Caribbean reef sharks Carcharhinus perezi on Glovers Reef Atoll, Belize. Bayesian stable isotope mixing models were used to investigate prey choice as well as viable Diet-Tissue Discrimination Factors for use with stingrays. Stingray δ(15N values showed the greatest variation and a positive relationship with size, with an isotopic niche width approximately twice that of sympatric species. Shark species exhibited comparatively restricted δ(15N values and greater δ(13C variation, with very little overlap of stingray niche space. Mixing models suggest bivalves and annelids are proportionally more important prey in the stingray diet than crustaceans and teleosts at Glovers Reef, in contrast to all but one published diet study using stomach contents from other locations. Incorporating gut contents information from the literature, we suggest diet-tissue discrimination factors values of Δ(15N ≈ 2.7‰ and Δ(13C ≈ 0.9‰ for stingrays in the absence of validation experiments. The wide trophic niche and lower trophic level exhibited by stingrays compared to sympatric sharks supports their putative role as important base stabilisers in benthic systems, with the potential to absorb trophic perturbations through numerous opportunistic prey interactions.

  11. Model-based clustering of DNA methylation array data: a recursive-partitioning algorithm for high-dimensional data arising as a mixture of beta distributions

    Directory of Open Access Journals (Sweden)

    Wiemels Joseph

    2008-09-01

    Full Text Available Abstract Background Epigenetics is the study of heritable changes in gene function that cannot be explained by changes in DNA sequence. One of the most commonly studied epigenetic alterations is cytosine methylation, which is a well recognized mechanism of epigenetic gene silencing and often occurs at tumor suppressor gene loci in human cancer. Arrays are now being used to study DNA methylation at a large number of loci; for example, the Illumina GoldenGate platform assesses DNA methylation at 1505 loci associated with over 800 cancer-related genes. Model-based cluster analysis is often used to identify DNA methylation subgroups in data, but it is unclear how to cluster DNA methylation data from arrays in a scalable and reliable manner. Results We propose a novel model-based recursive-partitioning algorithm to navigate clusters in a beta mixture model. We present simulations that show that the method is more reliable than competing nonparametric clustering approaches, and is at least as reliable as conventional mixture model methods. We also show that our proposed method is more computationally efficient than conventional mixture model approaches. We demonstrate our method on the normal tissue samples and show that the clusters are associated with tissue type as well as age. Conclusion Our proposed recursively-partitioned mixture model is an effective and computationally efficient method for clustering DNA methylation data.

  12. Determination and importance of temperature dependence of retention coefficient (RPHPLC) in QSAR model of nitrazepams' partition coefficient in bile acid micelles.

    Science.gov (United States)

    Posa, Mihalj; Pilipović, Ana; Lalić, Mladena; Popović, Jovan

    2011-02-15

    Linear dependence between temperature (t) and retention coefficient (k, reversed phase HPLC) of bile acids is obtained. Parameters (a, intercept and b, slope) of the linear function k=f(t) highly correlate with bile acids' structures. Investigated bile acids form linear congeneric groups on a principal component (calculated from k=f(t)) score plot that are in accordance with conformations of the hydroxyl and oxo groups in a bile acid steroid skeleton. Partition coefficient (K(p)) of nitrazepam in bile acids' micelles is investigated. Nitrazepam molecules incorporated in micelles show modified bioavailability (depo effect, higher permeability, etc.). Using multiple linear regression method QSAR models of nitrazepams' partition coefficient, K(p) are derived on the temperatures of 25°C and 37°C. For deriving linear regression models on both temperatures experimentally obtained lipophilicity parameters are included (PC1 from data k=f(t)) and in silico descriptors of the shape of a molecule while on the higher temperature molecular polarisation is introduced. This indicates the fact that the incorporation mechanism of nitrazepam in BA micelles changes on the higher temperatures. QSAR models are derived using partial least squares method as well. Experimental parameters k=f(t) are shown to be significant predictive variables. Both QSAR models are validated using cross validation and internal validation method. PLS models have slightly higher predictive capability than MLR models. Copyright © 2010 Elsevier B.V. All rights reserved.

  13. GPU-accelerated Modeling and Element-free Reverse-time Migration with Gauss Points Partition

    Science.gov (United States)

    Zhen, Z.; Jia, X.

    2014-12-01

    Element-free method (EFM) has been applied to seismic modeling and migration. Compared with finite element method (FEM) and finite difference method (FDM), it is much cheaper and more flexible because only the information of the nodes and the boundary of the study area are required in computation. In the EFM, the number of Gauss points should be consistent with the number of model nodes; otherwise the accuracy of the intermediate coefficient matrices would be harmed. Thus when we increase the nodes of velocity model in order to obtain higher resolution, we find that the size of the computer's memory will be a bottleneck. The original EFM can deal with at most 81×81 nodes in the case of 2G memory, as tested by Jia and Hu (2006). In order to solve the problem of storage and computation efficiency, we propose a concept of Gauss points partition (GPP), and utilize the GPUs to improve the computation efficiency. Considering the characteristics of the Gaussian points, the GPP method doesn't influence the propagation of seismic wave in the velocity model. To overcome the time-consuming computation of the stiffness matrix (K) and the mass matrix (M), we also use the GPUs in our computation program. We employ the compressed sparse row (CSR) format to compress the intermediate sparse matrices and try to simplify the operations by solving the linear equations with the CULA Sparse's Conjugate Gradient (CG) solver instead of the linear sparse solver 'PARDISO'. It is observed that our strategy can significantly reduce the computational time of K and Mcompared with the algorithm based on CPU. The model tested is Marmousi model. The length of the model is 7425m and the depth is 2990m. We discretize the model with 595x298 nodes, 300x300 Gauss cells and 3x3 Gauss points in each cell. In contrast to the computational time of the conventional EFM, the GPUs-GPP approach can substantially improve the efficiency. The speedup ratio of time consumption of computing K, M is 120 and the

  14. Molecular-based recursive partitioning analysis model for glioblastoma in the temozolomide era a correlative analysis based on nrg oncology RTOG 0525

    NARCIS (Netherlands)

    Bell, Erica Hlavin; Pugh, Stephanie L.; McElroy, Joseph P.; Gilbert, Mark R.; Mehta, Minesh; Klimowicz, Alexander C.; Magliocco, Anthony; Bredel, Markus; Robe, Pierre; Grosu, Anca L.; Stupp, Roger; Curran, Walter; Becker, Aline P.; Salavaggione, Andrea L.; Barnholtz-Sloan, Jill S.; Aldape, Kenneth; Blumenthal, Deborah T.; Brown, Paul D.; Glass, Jon; Souhami, Luis; Lee, R. Jeffrey; Brachman, David; Flickinger, John; Won, Minhee; Chakravarti, Arnab

    2017-01-01

    IMPORTANCE: There is a need for a more refined, molecularly based classification model for glioblastoma (GBM) in the temozolomide era. OBJECTIVE: To refine the existing clinically based recursive partitioning analysis (RPA) model by incorporating molecular variables. DESIGN, SETTING, AND

  15. Evapotranspiration estimation using a parameter-parsimonious energy partition model over Amazon basin

    Science.gov (United States)

    Xu, D.; Agee, E.; Wang, J.; Ivanov, V. Y.

    2017-12-01

    The increased frequency and severity of droughts in the Amazon region have emphasized the potential vulnerability of the rainforests to heat and drought-induced stresses, highlighting the need to reduce the uncertainty in estimates of regional evapotranspiration (ET) and quantify resilience of the forest. Ground-based observations for estimating ET are resource intensive, making methods based on remotely sensed observations an attractive alternative. Several methodologies have been developed to estimate ET from satellite data, but challenges remained in model parameterization and satellite limited coverage reducing their utility for monitoring biodiverse regions. In this work, we apply a novel surface energy partition method (Maximum Entropy Production; MEP) based on Bayesian probability theory and nonequilibrium thermodynamics to derive ET time series using satellite data for Amazon basin. For a large, sparsely monitored region such as the Amazon, this approach has the advantage methods of only using single level measurements of net radiation, temperature, and specific humidity data. Furthermore, it is not sensitive to the uncertainty of the input data and model parameters. In this first application of MEP theory for a tropical forest biome, we assess its performance at various spatiotemporal scales against a diverse field data sets. Specifically, the objective of this work is to test this method using eddy flux data for several locations across the Amazonia at sub-daily, monthly, and annual scales and compare the new estimates with those using traditional methods. Analyses of the derived ET time series will contribute to reducing the current knowledge gap surrounding the much debated response of the Amazon Basin region to droughts and offer a template for monitoring the long-term changes in global hydrologic cycle due to anthropogenic and natural causes.

  16. Resource partitioning along multiple niche axes drives functional diversity in parrotfishes on Caribbean coral reefs.

    Science.gov (United States)

    Adam, Thomas C; Kelley, Megan; Ruttenberg, Benjamin I; Burkepile, Deron E

    2015-12-01

    The recent loss of key consumers to exploitation and habitat degradation has significantly altered community dynamics and ecosystem function across many ecosystems worldwide. Predicting the impacts of consumer losses requires knowing the level of functional diversity that exists within a consumer assemblage. In this study, we document functional diversity among nine species of parrotfishes on Caribbean coral reefs. Parrotfishes are key herbivores that facilitate the maintenance and recovery of coral-dominated reefs by controlling algae and provisioning space for the recruitment of corals. We observed large functional differences among two genera of parrotfishes that were driven by differences in diet. Fishes in the genus Scarus targeted filamentous algal turf assemblages, crustose coralline algae, and endolithic algae and avoided macroalgae, while fishes in the genus Sparisoma preferentially targeted macroalgae. However, species with similar diets were dissimilar in other attributes, including the habitats they frequented, the types of substrate they fed from, and the spatial scale at which they foraged. These differences indicate that species that appear to be functionally redundant when looking at diet alone exhibit high levels of complementarity when we consider multiple functional traits. By identifying key functional differences among parrotfishes, we provide critical information needed to manage parrotfishes to enhance the resilience of coral-dominated reefs and reverse phase shifts on algal-dominated reefs throughout the wider Caribbean. Further, our study provides a framework for predicting the impacts of consumer losses in other species rich ecosystems.

  17. Exact partition functions for the Ω-deformed N=2{sup ∗}SU(2) gauge theory

    Energy Technology Data Exchange (ETDEWEB)

    Beccaria, Matteo; Macorini, Guido [Dipartimento di Matematica e Fisica “Ennio De Giorgi”, Università del Salento,Via Arnesano, 73100 Lecce (Italy); INFN,Via Arnesano, 73100 Lecce (Italy)

    2016-07-12

    We study the low energy effective action of the Ω-deformed N=2{sup ∗}SU(2) gauge theory. It depends on the deformation parameters ϵ{sub 1},ϵ{sub 2}, the scalar field expectation value a, and the hypermultiplet mass m. We explore the plane ((m/(ϵ{sub 1})),((ϵ{sub 2})/(ϵ{sub 1}))) looking for special features in the multi-instanton contributions to the prepotential, motivated by what happens in the Nekrasov-Shatashvili limit ϵ{sub 2}→0. We propose a simple condition on the structure of poles of the k-instanton prepotential and show that it is admissible at a finite set of points in the above plane. At these special points, the prepotential has poles at fixed positions independent on the instanton number. Besides and remarkably, both the instanton partition function and the full prepotential, including the perturbative contribution, may be given in closed form as functions of the scalar expectation value a and the modular parameter q appearing in special combinations of Eisenstein series and Dedekind η function. As a byproduct, the modular anomaly equation can be tested at all orders at these points. We discuss these special features from the point of view of the AGT correspondence and provide explicit toroidal 1-blocks in non-trivial closed form. The full list of solutions with 1, 2, 3, and 4 poles is determined and described in details.

  18. Analytical Modeling of Natural Convection in a Tall Rectangular Enclosure with Multiple Disconnected Partitions

    Directory of Open Access Journals (Sweden)

    Youngmin Bae

    2016-08-01

    Full Text Available In this study, laminar natural circulation and heat transfer in a tall rectangular enclosure with disconnected vertical partitions inside were investigated. Analytical expressions were developed to predict the circulation flow rate and the average Nusselt number in a partially partitioned enclosure with isothermal side walls at different temperatures and insulated top and bottom walls. The proposed formulas are then validated against numerical results for modified Rayleigh numbers of up to 106. The impacts of the governing parameters are also examined along with a discussion of the heat transfer regimes.

  19. Energy partition in nuclear fission

    International Nuclear Information System (INIS)

    Ruben, A.; Maerten, H.; Seeliger, D.

    1990-01-01

    A scission point model (two spheroid model TSM) including semi-empirical temperature-dependent shell correction energies for deformed fragments at scission is presented. It has been used to describe the mass-asymmetry-dependent partition of the total energy release on both fragments from spontaneous and induced fission. Characteristic trends of experimental fragment energy and neutron multiplicity data as function of incidence energy in the Th-Cf region of fissioning nuclei are well reproduced. Based on model applications, information on the energy dissipated during the descent from second saddle of fission barrier to scission point have been deduced. (author). 39 refs, 13 figs

  20. Gentile statistics and restricted partitions

    Indian Academy of Sciences (India)

    The partition function of Gentile statistics also has the property that it nicely interpolates between the ... We now construct the partition function for such a system which also incorporates the property of interpolation ... As in [4], we however keep s arbitrary even though for s > 2 there are no quadratic. Hamiltonian systems.

  1. Selective partitioning of cholesterol and a model drug into liposomes of varying size

    DEFF Research Database (Denmark)

    Decker, Christiane; Fahr, Alfred; Kuntsche, Judith

    2012-01-01

    The resistance of a lipid bilayer with respect to a bending deformation generally depends on the presence of membrane additives such as sterols, cosurfactants, peptides, and drugs. As a consequence, the partitioning of membrane additives into liposomes becomes selective with respect to liposome s...

  2. A method for partitioning the information contained in a protein sequence between its structure and function.

    Science.gov (United States)

    Possenti, Andrea; Vendruscolo, Michele; Camilloni, Carlo; Tiana, Guido

    2018-05-23

    Proteins employ the information stored in the genetic code and translated into their sequences to carry out well-defined functions in the cellular environment. The possibility to encode for such functions is controlled by the balance between the amount of information supplied by the sequence and that left after that the protein has folded into its structure. We study the amount of information necessary to specify the protein structure, providing an estimate that keeps into account the thermodynamic properties of protein folding. We thus show that the information remaining in the protein sequence after encoding for its structure (the 'information gap') is very close to what needed to encode for its function and interactions. Then, by predicting the information gap directly from the protein sequence, we show that it may be possible to use these insights from information theory to discriminate between ordered and disordered proteins, to identify unknown functions, and to optimize artificially-designed protein sequences. This article is protected by copyright. All rights reserved. © 2018 Wiley Periodicals, Inc.

  3. Cadmium induces changes in sucrose partitioning, invertase activities, and membrane functionality in roots of Rangpur lime (Citrus limonia L. Osbeck).

    Science.gov (United States)

    Podazza, G; Rosa, M; González, J A; Hilal, M; Prado, F E

    2006-09-01

    Cadmium (Cd) uptake effects on sucrose content, invertase activities, and plasma membrane functionality were investigated in Rangpur lime roots ( CITRUS LIMONIA L. Osbeck). Cadmium accumulation was significant in roots but not in shoots and leaves. Cadmium produced significant reduction in roots DW and increment in WC. Leaves and shoots did not show significant differences on both parameters. Sucrose content was higher in control roots than in Cd-exposed ones. Apoplastic sucrose content was much higher in Cd-exposed roots than in control ones. Cd-exposed roots showed a significant decrease in both cell wall-bound and cytoplasmic (neutral) invertase activities; while the vacuolar isoform did not show any change. Alterations in lipid composition and membrane fluidity of Cd-exposed roots were also observed. In Cd-exposed roots phospholipid and glycolipid contents decreased about 50 %, while sterols content was reduced about 22 %. Proton extrusion was inhibited by Cd. Lipid peroxidation and proton extrusion inhibition were also detected by histochemical analysis. This work's findings demonstrate that Cd affects sucrose partitioning and invertase activities in apoplastic and symplastic regions in Rangpur lime roots as well as the plasma membrane functionality and H (+)-ATPase activity.

  4. Modelling of nutrient partitioning in growing pigs to predict their anatomical body composition. 2. Model evaluation

    NARCIS (Netherlands)

    Halas, V.; Dijkstra, J.; Babinszky, L.; Verstegen, M.W.A.; Gerrits, W.J.J.

    2004-01-01

    The objective of the present paper was to evaluate a dynamic mechanistic model for growing and fattening pigs presented in a companion paper. The model predicted the rate of protein and fat deposition (chemical composition), rate of tissue deposition (anatomical composition) and performance of pigs

  5. Recursive grid partitioning on a cortical surface model: an optimized technique for the localization of implanted subdural electrodes.

    Science.gov (United States)

    Pieters, Thomas A; Conner, Christopher R; Tandon, Nitin

    2013-05-01

    Precise localization of subdural electrodes (SDEs) is essential for the interpretation of data from intracranial electrocorticography recordings. Blood and fluid accumulation underneath the craniotomy flap leads to a nonlinear deformation of the brain surface and of the SDE array on postoperative CT scans and adversely impacts the accurate localization of electrodes located underneath the craniotomy. Older methods that localize electrodes based on their identification on a postimplantation CT scan with coregistration to a preimplantation MR image can result in significant problems with accuracy of the electrode localization. The authors report 3 novel methods that rely on the creation of a set of 3D mesh models to depict the pial surface and a smoothed pial envelope. Two of these new methods are designed to localize electrodes, and they are compared with 6 methods currently in use to determine their relative accuracy and reliability. The first method involves manually localizing each electrode using digital photographs obtained at surgery. This is highly accurate, but requires time intensive, operator-dependent input. The second uses 4 electrodes localized manually in conjunction with an automated, recursive partitioning technique to localize the entire electrode array. The authors evaluated the accuracy of previously published methods by applying the methods to their data and comparing them against the photograph-based localization. Finally, the authors further enhanced the usability of these methods by using automatic parcellation techniques to assign anatomical labels to individual electrodes as well as by generating an inflated cortical surface model while still preserving electrode locations relative to the cortical anatomy. The recursive grid partitioning had the least error compared with older methods (672 electrodes, 6.4-mm maximum electrode error, 2.0-mm mean error, p < 10(-18)). The maximum errors derived using prior methods of localization ranged from 8

  6. Light Competition and Carbon Partitioning-Allocation in an improved Forest Ecosystem Model

    Science.gov (United States)

    Collalti, Alessio; Santini, Monia; Valentini Valentini, Riccardo

    2010-05-01

    . Hence, the presence of a cohort in a storey determines the amount of light received for the photosynthetic processes. The population density (numbers of trees per cell) represents a good competition index for determining the tree crown structure and tree crown dimension within a forest population. The tree crown tend to branch out horizontally to intercept as much light as possible. The model assess the structure of the tree crown both vertically and horizontally on the base of the population density and it up-scales the result to the whole stand. The canopy depth and the percentage of horizontal coverage determines moreover a crowding competition index that lead to a specific biomass partitioning-allocation ratio among the different tree components (foliage, roots and stem) and especially for the stem affecting Height-Diameter (at breast height) ratio. In this model, Height-Diameter ratio is used as an alternative competition index in determining the vigour and the strength of competition on free growth status of trees. The forest dominant vegetative cover affects moreover the presence of a dominated layer, it influences its yield and its Carbon stocking capacity and hence it influences the forest ecosystem CO2 carbon balance. From this model it is possible to simulate the impact of Climate Change on forests, the feedback of one or more dominated layers in terms of CO2 uptake in a forest stand and the effects of forest management activities for the next years.

  7. Development of polyparameter linear free energy relationship models for octanol-air partition coefficients of diverse chemicals.

    Science.gov (United States)

    Jin, Xiaochen; Fu, Zhiqiang; Li, Xuehua; Chen, Jingwen

    2017-03-22

    The octanol-air partition coefficient (K OA ) is a key parameter describing the partition behavior of organic chemicals between air and environmental organic phases. As the experimental determination of K OA is costly, time-consuming and sometimes limited by the availability of authentic chemical standards for the compounds to be determined, it becomes necessary to develop credible predictive models for K OA . In this study, a polyparameter linear free energy relationship (pp-LFER) model for predicting K OA at 298.15 K and a novel model incorporating pp-LFERs with temperature (pp-LFER-T model) were developed from 795 log K OA values for 367 chemicals at different temperatures (263.15-323.15 K), and were evaluated with the OECD guidelines on QSAR model validation and applicability domain description. Statistical results show that both models are well-fitted, robust and have good predictive capabilities. Particularly, the pp-LFER model shows a strong predictive ability for polyfluoroalkyl substances and organosilicon compounds, and the pp-LFER-T model maintains a high predictive accuracy within a wide temperature range (263.15-323.15 K).

  8. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.

    Science.gov (United States)

    Genheden, Samuel

    2017-10-01

    We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

  9. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models

    Science.gov (United States)

    Genheden, Samuel

    2017-10-01

    We present the estimation of solvation free energies of small solutes in water, n-octanol and hexane using molecular dynamics simulations with two MARTINI models at different resolutions, viz. the coarse-grained (CG) and the hybrid all-atom/coarse-grained (AA/CG) models. From these estimates, we also calculate the water/hexane and water/octanol partition coefficients. More than 150 small, organic molecules were selected from the Minnesota solvation database and parameterized in a semi-automatic fashion. Using either the CG or hybrid AA/CG models, we find considerable deviations between the estimated and experimental solvation free energies in all solvents with mean absolute deviations larger than 10 kJ/mol, although the correlation coefficient is between 0.55 and 0.75 and significant. There is also no difference between the results when using the non-polarizable and polarizable water model, although we identify some improvements when using the polarizable model with the AA/CG solutes. In contrast to the estimated solvation energies, the estimated partition coefficients are generally excellent with both the CG and hybrid AA/CG models, giving mean absolute deviations between 0.67 and 0.90 log units and correlation coefficients larger than 0.85. We analyze the error distribution further and suggest avenues for improvements.

  10. Application of the two-source energy balance model to partition evapotranspiration in an arid wine vineyard

    Science.gov (United States)

    Kool, Dilia; Kustas, William P.; Agam, Nurit

    2016-04-01

    The partitioning of evapotranspiration (ET) into transpiration (T), a productive water use, and soil water evaporation (E), which is generally considered a water loss, is highly relevant to agriculture in the light of increasing desertification and water scarcity. This task is challenged by the complexity of soil and plant interactions, coupled with changes in atmospheric and soil water content conditions. Many of the processes controlling water/energy exchange are not adequately modeled. The two-source energy balance model (TSEB) was evaluated and adapted for independent E and T estimations in an isolated drip-irrigated wine vineyard in the arid Negev desert. The TSEB model estimates ET by computing vegetation and soil energy fluxes using remotely sensed composite surface temperature, local weather data (solar radiation, air temperature and humidity, and wind speed), and vegetation metrics (row spacing, canopy height and width, and leaf area). The soil and vegetation energy fluxes are computed numerically using a system of temperature gradient and resistance equations; where soil and canopy temperatures are derived from the composite surface temperature. For estimation of ET, the TSEB model has been shown to perform well for various agricultural crops under a wide range of environmental conditions, but validation of T and E fluxes is limited to one study in a well-watered cotton crop. Extending the TSEB approach to water-limited vineyards demands careful consideration regarding how the complex canopy structure of vineyards will influence the accuracy of the partitioning between E and T. Data for evaluation of the TSEB model were collected over a season (bud break till harvest). Composite, canopy, and soil surface temperatures were measured using infrared thermometers. The composite vegetation and soil surface energy fluxes were assessed using independent measurements of net radiation, and soil, sensible and latent heat flux. The below canopy energy balance was

  11. Robust extrapolation scheme for fast estimation of 3D Ising field partition functions: application to within subject fMRI data

    Energy Technology Data Exchange (ETDEWEB)

    Risser, L.; Vincent, T.; Ciuciu, Ph. [NeuroSpin CEA, F-91191 Gif sur Yvette (France); Risser, L.; Vincent, T. [Laboratoire de Neuroimagerie Assistee par Ordinateur (LNAO) CEA - DSV/I2BM/NEUROSPIN (France); Risser, L. [Institut de mecanique des fluides de Toulouse (IMFT), CNRS: UMR5502 - Universite Paul Sabatier - Toulouse III - Institut National Polytechnique de Toulouse - INPT (France); Idier, J. [Institut de Recherche en Communications et en Cybernetique de Nantes (IRCCyN) CNRS - UMR6597 - Universite de Nantes - ecole Centrale de Nantes - Ecole des Mines de Nantes - Ecole Polytechnique de l' Universite de Nantes (France)

    2009-07-01

    In this paper, we present a first numerical scheme to estimate Partition Functions (PF) of 3D Ising fields. Our strategy is applied to the context of the joint detection-estimation of brain activity from functional Magnetic Resonance Imaging (fMRI) data, where the goal is to automatically recover activated regions and estimate region-dependent, hemodynamic filters. For any region, a specific binary Markov random field may embody spatial correlation over the hidden states of the voxels by modeling whether they are activated or not. To make this spatial regularization fully adaptive, our approach is first based upon it, classical path-sampling method to approximate a small subset of reference PFs corresponding to pre-specified regions. Then, file proposed extrapolation method allows its to approximate the PFs associated with the Ising fields defined over the remaining brain regions. In comparison with preexisting approaches, our method is robust; to topological inhomogeneities in the definition of the reference regions. As a result, it strongly alleviates the computational burden and makes spatially adaptive regularization of whole brain fMRI datasets feasible. (authors)

  12. Prediction of passive blood-brain partitioning: straightforward and effective classification models based on in silico derived physicochemical descriptors.

    Science.gov (United States)

    Vilar, Santiago; Chakrabarti, Mayukh; Costanzi, Stefano

    2010-06-01

    The distribution of compounds between blood and brain is a very important consideration for new candidate drug molecules. In this paper, we describe the derivation of two linear discriminant analysis (LDA) models for the prediction of passive blood-brain partitioning, expressed in terms of logBB values. The models are based on computationally derived physicochemical descriptors, namely the octanol/water partition coefficient (logP), the topological polar surface area (TPSA) and the total number of acidic and basic atoms, and were obtained using a homogeneous training set of 307 compounds, for all of which the published experimental logBB data had been determined in vivo. In particular, since molecules with logBB>0.3 cross the blood-brain barrier (BBB) readily while molecules with logBB<-1 are poorly distributed to the brain, on the basis of these thresholds we derived two distinct models, both of which show a percentage of good classification of about 80%. Notably, the predictive power of our models was confirmed by the analysis of a large external dataset of compounds with reported activity on the central nervous system (CNS) or lack thereof. The calculation of straightforward physicochemical descriptors is the only requirement for the prediction of the logBB of novel compounds through our models, which can be conveniently applied in conjunction with drug design and virtual screenings. Published by Elsevier Inc.

  13. A Systematic Approach for Computing Zero-Point Energy, Quantum Partition Function, and Tunneling Effect Based on Kleinert's Variational Perturbation Theory.

    Science.gov (United States)

    Wong, Kin-Yiu; Gao, Jiali

    2008-09-09

    In this paper, we describe an automated integration-free path-integral (AIF-PI) method, based on Kleinert's variational perturbation (KP) theory, to treat internuclear quantum-statistical effects in molecular systems. We have developed an analytical method to obtain the centroid potential as a function of the variational parameter in the KP theory, which avoids numerical difficulties in path-integral Monte Carlo or molecular dynamics simulations, especially at the limit of zero-temperature. Consequently, the variational calculations using the KP theory can be efficiently carried out beyond the first order, i.e., the Giachetti-Tognetti-Feynman-Kleinert variational approach, for realistic chemical applications. By making use of the approximation of independent instantaneous normal modes (INM), the AIF-PI method can readily be applied to many-body systems. Previously, we have shown that in the INM approximation, the AIF-PI method is accurate for computing the quantum partition function of a water molecule (3 degrees of freedom) and the quantum correction factor for the collinear H(3) reaction rate (2 degrees of freedom). In this work, the accuracy and properties of the KP theory are further investigated by using the first three order perturbations on an asymmetric double-well potential, the bond vibrations of H(2), HF, and HCl represented by the Morse potential, and a proton-transfer barrier modeled by the Eckart potential. The zero-point energy, quantum partition function, and tunneling factor for these systems have been determined and are found to be in excellent agreement with the exact quantum results. Using our new analytical results at the zero-temperature limit, we show that the minimum value of the computed centroid potential in the KP theory is in excellent agreement with the ground state energy (zero-point energy) and the position of the centroid potential minimum is the expectation value of particle position in wave mechanics. The fast convergent property

  14. Composition and partition functions of partially ionized hydrogen plasma in Non-Local Thermal Equilibrium (Non-LThE) and Non-Local Chemical Equilibrium (Non-LChE)

    International Nuclear Information System (INIS)

    Chen Kuan; Eddy, T.L.

    1993-01-01

    A GTME (Generalized MultiThermodynamic Equilibrium) plasma model is developed for plasmas in both Non-LThE (Non-Local Thermal Equilibrium) and Non-LChE (Non-Local Chemical Equilibrium). The model uses multitemperatures for thermal nonequilibrium and non-zero chemical affinities as a measure of the deviation from chemical equilibrium. The plasma is treated as an ideal gas with the Debye-Hueckel approximation employed for pressure correction. The proration method is used when the cutoff energy level is between two discrete levels. The composition and internal partition functions of a hydrogen plasma are presented for electron temperatures ranging from 5000 to 35000 K and pressures from 0.1 to 1000 kPa. Number densities of 7 different species of hydrogen plasma and internal partition functions of different energy modes (rotational, vibrational, and electronic excitation) are computed for three affinity values. The results differ from other plasma properties in that they 1) are not based on equilibrium properties; and 2) are expressed as a function of different energy distribution parameters (temperatures) within each energy mode of each species as appropriate. The computed number densities and partition functions are applicable to calculating the thermodynamic, transport, and radiation properties of a hydrogen plasma not in thermal and chemical equilibria. The nonequilibrium plasma model and plasma compositions presented in this paper are very useful to the diagnosis of high-speed and/or low-pressure plasma flows in which the assumptions of local thermal and chemical equilibrium are invalid. (orig.)

  15. Fuzzy time series forecasting model with natural partitioning length approach for predicting the unemployment rate under different degree of confidence

    Science.gov (United States)

    Ramli, Nazirah; Mutalib, Siti Musleha Ab; Mohamad, Daud

    2017-08-01

    Fuzzy time series forecasting model has been proposed since 1993 to cater for data in linguistic values. Many improvement and modification have been made to the model such as enhancement on the length of interval and types of fuzzy logical relation. However, most of the improvement models represent the linguistic term in the form of discrete fuzzy sets. In this paper, fuzzy time series model with data in the form of trapezoidal fuzzy numbers and natural partitioning length approach is introduced for predicting the unemployment rate. Two types of fuzzy relations are used in this study which are first order and second order fuzzy relation. This proposed model can produce the forecasted values under different degree of confidence.

  16. A dynamic growth model for prediction of nutrient partitioning and manure production in growing–finishing pigs: Model development and evaluation

    DEFF Research Database (Denmark)

    Danfær, Allan Christian; Jørgensen, Henry; Kebreab, E

    2015-01-01

    trials using growing–finishing pig diets that had a wide range of nutrient chemical composition. Nutrient and water excretion were quantified using the principle of mass conservation. The average daily observed and predicted manure production was 3.79 and 3.99 kg/d, respectively, with a RMSPE of 0.49 kg......Nutrient loading and air emissions from swine operations raise environmental concerns. The objective of the study was to describe and evaluate a mathematical model (Davis Swine Model) of nutrient partitioning and predict manure excretion and composition on a daily basis. State variables...... the body constituent pools. It was assumed that fluxes of metabolites follow saturation kinetics, depending on metabolite concentrations. The main inputs to the model were diet nutrient composition, feed intake, water-to-feed ratio, and initial BW. First, the model was challenged with nutrient partitioning...

  17. Spectrum of Singly Charged Uranium (U II : Theoretical Interpretation of Energy Levels, Partition Function and Classified Ultraviolet Lines

    Directory of Open Access Journals (Sweden)

    Ali Meftah

    2017-06-01

    Full Text Available In an attempt to improve U II analysis, the lowest configurations of both parities have been interpreted by means of the Racah-Slater parametric method, using Cowan codes. In the odd parity, including the ground state, 253 levels of the interacting configurations 5 f 3 7 s 2 + 5 f 3 6 d 7 s + 5 f 3 6 d 2 + 5 f 4 7 p + 5 f 5 are interpreted by 24 free parameters and 64 constrained ones, with a root mean square (rms deviation of 60 cm − 1 . In the even parity, the four known configurations 5 f 4 7 s , 5 f 4 6 d , 5 f 2 6 d 2 7 s , 5 f 2 6 d 7 s 2 and the unknown 5 f 2 6 d 3 form a basis for interpreting 125 levels with a rms deviation of 84 cm − 1 . Due to perturbations, the theoretical description of the higher configurations 5 f 3 7 s 7 p + 5 f 3 6 d 7 p remains unsatisfactory. The known and predicted levels of U II are used for a determination of the partition function. The parametric study led us to a re-investigation of high resolution ultraviolet spectrum of uranium recorded at the Meudon Observatory in the late eighties, of which the analysis was unachieved. In the course of the present study, a number of 451 lines of U II has been classified in the region 2344 –2955 Å. One new level has been established as 5 f 3 6 d 7 p ( 4 I 6 K ( J = 5.5 at 39113.98 ± 0.1 cm − 1 .

  18. Partitioning and nanostructural evolution in model Ni-based superalloys containing W, Re, and Ru studied on a subnanometer scale

    International Nuclear Information System (INIS)

    Isheim, D.; Seidman, D.N.

    2004-01-01

    Full text: Modern Ni-based sueralloys, for example, Rene N6, rely on a complex microstructure and microchemistry to achieve their superior mechanical and physical properties with up to 10 or more alloying additions. Refractory metal additions are known to improve the high-temperature creep-resistance and the influence and interactions with various alloying additions have drawn much attention. We study partitioning behavior of the alloying elements, growth and coarsening kinetics of γ' (L1 2 structure) precipitates in a series of model superalloys containing W, Re, and Ru in the earlier stages of the transformation with precipitates several tens of nanometers in diameter. The three-dimensional elemental spatial distribution with respect to γ' (L1 2 structure) precipitates, their heterophase interfaces, and their temporal evolution with high-temperature aging are characterized by 3D atom-probe (3DAP) microscopy with subnanometer resolution. The overall microstructure is characterized by transmission electron microscopy (TEM), which helps in the spanning of length scales. The experimental characterization provides important input parameters for modeling of partitioning and nanostructural evolution by ThermoCalc and PrecipiCalc and thus allows for a critical test of the predictive capabilities of these models. (author)

  19. Measurement of polyurethane foam - air partition coefficients for semivolatile organic compounds as a function of temperature: Application to passive air sampler monitoring.

    Science.gov (United States)

    Francisco, Ana Paula; Harner, Tom; Eng, Anita

    2017-05-01

    Polyurethane foam - air partition coefficients (K PUF-air ) for 9 polycyclic aromatic hydrocarbons (PAHs), 10 alkyl-substituted PAHs, 4 organochlorine pesticides (OCPs) and dibenzothiophene were measured as a function of temperature over the range 5 °C-35 °C, using a generator column approach. Enthalpies of PUF-to-air transfer (ΔH PUF-air , kJ/mol) were determined from the slopes of log K PUF-air versus 1000/T (K), and have an average value of 81.2 ± 7.03 kJ/mol. The log K PUF-air values at 22 °C ranged from 4.99 to 7.25. A relationship for log K PUF-air versus log K OA was shown to agree with a previous relationship based on only polychlorinated biphenyls (PCBs) and derived from long-term indoor uptake study experiments. The results also confirm that the existing K OA -based model for predicting log K PUF-air values is accurate. This new information is important in the derivation of uptake profiles and effective air sampling volumes for PUF disk samplers so that results can be reported in units of concentration in air. Crown Copyright © 2017. Published by Elsevier Ltd. All rights reserved.

  20. Stochastic modeling of phosphorus transport in the Three Gorges Reservoir by incorporating variability associated with the phosphorus partition coefficient

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Lei; Fang, Hongwei; Xu, Xingya; He, Guojian; Zhang, Xuesong; Reible, Danny

    2017-08-01

    Phosphorus (P) fate and transport plays a crucial role in the ecology of rivers and reservoirs in which eutrophication is limited by P. A key uncertainty in models used to help manage P in such systems is the partitioning of P to suspended and bed sediments. By analyzing data from field and laboratory experiments, we stochastically characterize the variability of the partition coefficient (Kd) and derive spatio-temporal solutions for P transport in the Three Gorges Reservoir (TGR). We formulate a set of stochastic partial different equations (SPDEs) to simulate P transport by randomly sampling Kd from the measured distributions, to obtain statistical descriptions of the P concentration and retention in the TGR. The correspondence between predicted and observed P concentrations and P retention in the TGR combined with the ability to effectively characterize uncertainty suggests that a model that incorporates the observed variability can better describe P dynamics and more effectively serve as a tool for P management in the system. This study highlights the importance of considering parametric uncertainty in estimating uncertainty/variability associated with simulated P transport.

  1. Computation of piecewise affine terminal cost functions for model predictive control

    NARCIS (Netherlands)

    Brunner, F.D.; Lazar, M.; Allgöwer, F.; Fränzle, Martin; Lygeros, John

    2014-01-01

    This paper proposes a method for the construction of piecewise affine terminal cost functions for model predictive control (MPC). The terminal cost function is constructed on a predefined partition by solving a linear program for a given piecewise affine system, a stabilizing piecewise affine

  2. Distribution-centric 3-parameter thermodynamic models of partition gas chromatography.

    Science.gov (United States)

    Blumberg, Leonid M

    2017-03-31

    If both parameters (the entropy, ΔS, and the enthalpy, ΔH) of the classic van't Hoff model of dependence of distribution coefficients (K) of analytes on temperature (T) are treated as the temperature-independent constants then the accuracy of the model is known to be insufficient for the needed accuracy of retention time prediction. A more accurate 3-parameter Clarke-Glew model offers a way to treat ΔS and ΔH as functions, ΔS(T) and ΔH(T), of T. A known T-centric construction of these functions is based on relating them to the reference values (ΔS ref and ΔH ref ) corresponding to a predetermined reference temperature (T ref ). Choosing a single T ref for all analytes in a complex sample or in a large database might lead to practically irrelevant values of ΔS ref and ΔH ref for those analytes that have too small or too large retention factors at T ref . Breaking all analytes in several subsets each with its own T ref leads to discontinuities in the analyte parameters. These problems are avoided in the K-centric modeling where ΔS(T) and ΔS(T) and other analyte parameters are described in relation to their values corresponding to a predetermined reference distribution coefficient (K Ref ) - the same for all analytes. In this report, the mathematics of the K-centric modeling are described and the properties of several types of K-centric parameters are discussed. It has been shown that the earlier introduced characteristic parameters of the analyte-column interaction (the characteristic temperature, T char , and the characteristic thermal constant, θ char ) are a special chromatographically convenient case of the K-centric parameters. Transformations of T-centric parameters into K-centric ones and vice-versa as well as the transformations of one set of K-centric parameters into another set and vice-versa are described. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Partitioning CO2 fluxes with isotopologue measurements and modeling to understand mechanisms of forest carbon sequestration

    Energy Technology Data Exchange (ETDEWEB)

    Saleska, Scott [Univ. of Arizona, Tucson, AZ (United States); Davidson, Eric [Univ. of Arizona, Tucson, AZ (United States); Finzi, Adrien [Univ. of Arizona, Tucson, AZ (United States); Wehr, Richard [Univ. of Arizona, Tucson, AZ (United States); Moorcroft, Paul [Univ. of Arizona, Tucson, AZ (United States)

    2016-01-28

    1. Objectives This project combines automated in situ observations of the isotopologues of CO2 with root observations, novel experimental manipulations of belowground processes, and isotope-enabled ecosystem modeling to investigate mechanisms of below- vs. aboveground carbon sequestration at the Harvard Forest Environmental Measurements Site (EMS). The proposed objectives, which have now been largely accomplished, include: A. Partitioning of net ecosystem CO2 exchange (NEE) into photosynthesis and respiration using long-term continuous observations of the isotopic composition of NEE, and analysis of their dynamics ; B. Investigation of the influence of vegetation phenology on the timing and magnitude of carbon allocated belowground using measurements of root growth and indices of belowground autotrophic vs. heterotrophic respiration (via trenched plots and isotope measurements); C. Testing whether plant allocation of carbon belowground stimulates the microbial decomposition of soil organic matter, using in situ rhizosphere simulation experiments wherein realistic quantities of artificial isotopically-labeled exudates are released into the soil; and D. Synthesis and interpretation of the above data using the Ecosystem Demography Model 2 (ED2). 2. Highlights Accomplishments: • Our isotopic eddy flux record has completed its 5th full year and has been used to independently estimate ecosystem-scale respiration and photosynthesis. • Soil surface chamber isotopic flux measurements were carried out during three growing seasons, in conjunction with a trenching manipulation. Key findings to date (listed by objective): A. Partitioning of Net Ecosystem Exchange: 1. Ecosystem respiration is lower during the day than at night—the first robust evidence of the inhibition of leaf respiration by light (the “Kok effect”) at the ecosystem scale. 2. Because it neglects the Kok effect, the standard NEE partitioning approach overestimates ecosystem

  4. Modeling the inorganic bromine partitioning in the tropical tropopause layer over the eastern and western Pacific Ocean

    Directory of Open Access Journals (Sweden)

    M. A. Navarro

    2017-08-01

    Full Text Available The stratospheric inorganic bromine (Bry burden arising from the degradation of brominated very short-lived organic substances (VSLorg and its partitioning between reactive and reservoir species is needed for a comprehensive assessment of the ozone depletion potential of brominated trace gases. Here we present modeled inorganic bromine abundances over the Pacific tropical tropopause based on aircraft observations of VSLorg from two campaigns of the Airborne Tropical TRopopause EXperiment (ATTREX 2013, carried out over the eastern Pacific, and ATTREX 2014, carried out over the western Pacific and chemistry-climate simulations (along ATTREX flight tracks using the specific meteorology prevailing. Using the Community Atmosphere Model with Chemistry (CAM-Chem we model that BrO and Br are the daytime dominant species. Integrated across all ATTREX flights, BrO represents ∼ 43 and 48 % of daytime Bry abundance at 17 km over the western and eastern Pacific, respectively. The results also show zones where Br / BrO > 1 depending on the solar zenith angle (SZA, ozone concentration, and temperature. On the other hand, BrCl and BrONO2 were found to be the dominant nighttime species with ∼  61 and 56 % of abundance at 17 km over the western and eastern Pacific, respectively. The western-to-eastern differences in the partitioning of inorganic bromine are explained by different abundances of ozone (O3, nitrogen dioxide (NO2, total inorganic chlorine (Cly, and the efficiency of heterogeneous reactions of bromine reservoirs (mostly BrONO2 and HBr occurring on ice crystals.

  5. BKP plane partitions

    International Nuclear Information System (INIS)

    Foda, Omar; Wheeler, Michael

    2007-01-01

    Using BKP neutral fermions, we derive a product expression for the generating function of volume-weighted plane partitions that satisfy two conditions. If we call a set of adjacent equal height-h columns, h > 0, an h-path, then 1. Every h-path can assume one of two possible colours. 2. There is a unique way to move along an h-path from any column to another

  6. BKP plane partitions

    Energy Technology Data Exchange (ETDEWEB)

    Foda, Omar; Wheeler, Michael [Department of Mathematics and Statistics, University of Melbourne, Parkville, Victoria 3010 (Australia)

    2007-01-15

    Using BKP neutral fermions, we derive a product expression for the generating function of volume-weighted plane partitions that satisfy two conditions. If we call a set of adjacent equal height-h columns, h > 0, an h-path, then 1. Every h-path can assume one of two possible colours. 2. There is a unique way to move along an h-path from any column to another.

  7. Gas/aerosol Partitioning Parameterisation For Global Modelling: A Physical Interpretation of The Relationship Between Activity Coefficients and Relative Humidity

    Science.gov (United States)

    Metzger, S.; Dentener, F. J.; Lelieveld, J.; Pandis, S. N.

    A computationally efficient model (EQSAM) to calculate gas/aerosol partitioning ofsemi-volatile inorganic aerosol components has been developed for use in global- atmospheric chemistry and climate models; presented at the EGS 2001.We introduce and discuss here the physics behind the parameterisation, upon whichthe EQuilib- rium Simplified Aerosol Model EQSAM is based. The parameterisation,which ap- proximates the activity coefficient calculation sufficiently accurately forglobal mod- elling, is based on a method that directly relates aerosol activitycoefficients to the ambient relative humidity, assuming chemical equilibrium.It therefore provides an interesting alternative for the computationally expensiveiterative activity coefficient calculation methods presently used in thermodynamicgas/aerosol equilibrium mod- els (EQMs). The parameterisation can be used,however, also in dynamical models that calculate mass transfer between theliquid/solid aerosol phases and the gas/phase explicitly; dynamical models oftenincorporate an EQM to calculate the aerosol com- position. The gain of theparameterisation is that the entire system of the gas/aerosol equilibrium partitioningcan be solved non-iteratively, a substantial advantage in global modelling.Since we have already demonstrated at the EGS 2001 that EQSAM yields similarresults as current state-of-the-art equilibrium models, we focus here on a dis- cussionof our physical interpretation of the parameterisation; the identification of theparameters needed is crucial. Given the lag of reliable data, the best way tothor- oughly validate the parameterisation for global modelling applications is theimple- mentation in current state-of-the-art gas/aerosol partitioning routines, whichare embe- ded in e.g. a global atmospheric chemistry transport model, by comparingthe results of the parameterisation against the ones based on the widely used activitycoefficient calculation methods (i.e. Bromley, Kussik-Meissner or Pitzer). Then

  8. QSPR models for predicting generator-column-derived octanol/water and octanol/air partition coefficients of polychlorinated biphenyls.

    Science.gov (United States)

    Yuan, Jintao; Yu, Shuling; Zhang, Ting; Yuan, Xuejie; Cao, Yunyuan; Yu, Xingchen; Yang, Xuan; Yao, Wu

    2016-06-01

    Octanol/water (K(OW)) and octanol/air (K(OA)) partition coefficients are two important physicochemical properties of organic substances. In current practice, K(OW) and K(OA) values of some polychlorinated biphenyls (PCBs) are measured using generator column method. Quantitative structure-property relationship (QSPR) models can serve as a valuable alternative method of replacing or reducing experimental steps in the determination of K(OW) and K(OA). In this paper, two different methods, i.e., multiple linear regression based on dragon descriptors and hologram quantitative structure-activity relationship, were used to predict generator-column-derived log K(OW) and log K(OA) values of PCBs. The predictive ability of the developed models was validated using a test set, and the performances of all generated models were compared with those of three previously reported models. All results indicated that the proposed models were robust and satisfactory and can thus be used as alternative models for the rapid assessment of the K(OW) and K(OA) of PCBs. Copyright © 2016 Elsevier Inc. All rights reserved.

  9. Investigating Uranium Mobility Using Stable Isotope Partitioning of 238U/235U and a Reactive Transport Model

    Science.gov (United States)

    Bizjack, M.; Johnson, T. M.; Druhan, J. L.; Shiel, A. E.

    2015-12-01

    We report a numerical reactive transport model which explicitly incorporates the effectively stable isotopes of uranium (U) and the factors that influence their partitioning in bioactive systems. The model reproduces trends observed in U isotope ratios and concentration measurements from a field experiment, thereby improving interpretations of U isotope ratios as a tracer for U reactive transport. A major factor contributing to U storage and transport is its redox state, which is commonly influenced by the availability of organic carbon to support metal-reducing microbial communities. Both laboratory and field experiments have demonstrated that biogenic reduction of U(VI) fractionates the stable isotope ratio 238U/235U, producing an isotopically heavy solid U(IV) product. It has also been shown that other common reactive transport processes involving U do not fractionate isotopes to a consistently measurable level, which suggests the capacity to quantify the extent of bioreduction occurring in groundwater containing U using 238U/235U ratios. A recent study of a U bioremediation experiment at the Rifle IFRC site (Colorado, USA) applied Rayleigh distillation models to quantify U stable isotope fractionation observed during acetate amendment. The application of these simplified models were fit to the observations only by invoking a "memory-effect," or a constant source of low-concentration, unfractionated U(VI). In order to more accurately interpret the measured U isotope ratios, we present a multi-component reactive transport model using the CrunchTope software. This approach is capable of quantifying the cycling and partitioning of individual U isotopes through a realistic network of transport and reaction pathways including reduction, oxidation, and microbial growth. The model incorporates physical heterogeneity of the aquifer sediments through zones of decreased permeability, which replicate the observed bromide tracer, major ion chemistry, U concentration, and U

  10. QSAR models for predicting octanol/water and organic carbon/water partition coefficients of polychlorinated biphenyls.

    Science.gov (United States)

    Yu, S; Gao, S; Gan, Y; Zhang, Y; Ruan, X; Wang, Y; Yang, L; Shi, J

    2016-04-01

    Quantitative structure-property relationship modelling can be a valuable alternative method to replace or reduce experimental testing. In particular, some endpoints such as octanol-water (KOW) and organic carbon-water (KOC) partition coefficients of polychlorinated biphenyls (PCBs) are easier to predict and various models have been already developed. In this paper, two different methods, which are multiple linear regression based on the descriptors generated using Dragon software and hologram quantitative structure-activity relationships, were employed to predict suspended particulate matter (SPM) derived log KOC and generator column, shake flask and slow stirring method derived log KOW values of 209 PCBs. The predictive ability of the derived models was validated using a test set. The performances of all these models were compared with EPI Suite™ software. The results indicated that the proposed models were robust and satisfactory, and could provide feasible and promising tools for the rapid assessment of the SPM derived log KOC and generator column, shake flask and slow stirring method derived log KOW values of PCBs.

  11. Modelling the effects of land cover and climate change on soil water partitioning in a boreal headwater catchment

    Science.gov (United States)

    Wang, Hailong; Tetzlaff, Doerthe; Soulsby, Chris

    2018-03-01

    Climate and land cover are two major factors affecting the water fluxes and balance across spatiotemporal scales. These two factors and their impacts on hydrology are often interlinked. The quantification and differentiation of such impacts is important for developing sustainable land and water management strategies. Here, we calibrated the well-known Hydrus-1D model in a data-rich boreal headwater catchment in Scotland to assess the role of two dominant vegetation types (shrubs vs. trees) in regulating the soil water partitioning and balance. We also applied previously established climate projections for the area and replaced shrubs with trees to imitate current land use change proposals in the region, so as to quantify the potential impacts of climate and land cover changes on soil hydrology. Under tree cover, evapotranspiration and deep percolation to recharge groundwater was about 44% and 57% of annual precipitation, whilst they were about 10% lower and 9% higher respectively under shrub cover in this humid, low energy environment. Meanwhile, tree canopies intercepted 39% of annual precipitation in comparison to 23% by shrubs. Soils with shrub cover stored more water than tree cover. Land cover change was shown to have stronger impacts than projected climate change. With a complete replacement of shrubs with trees under future climate projections at this site, evapotranspiration is expected to increase by ∼39% while percolation to decrease by 21% relative to the current level, more pronounced than the modest changes in the two components (seasons, which may result in water stress experienced by the vegetation. The findings provide an important evidence base for adaptive management strategies of future changes in low-energy humid environments, where vegetation growth is usually restricted by radiative energy and not water availability while few studies that quantify soil water partitioning exist.

  12. Transfer functions for solid-solution partitioning of cadmium, copper, nickel, lead and zinc in soils. Derivation of relationships for free metal ion activities and validation with independent data

    Energy Technology Data Exchange (ETDEWEB)

    Groenenberg, J.E.; Roemkens, P.F.A.M.; De Vries, W. [Soil Science Centre, Wageningen University and Research Centre, P.O. Box 47, 6700 AA Wageningen (Netherlands); Comans, R.N.J. [Energy Research Centre of the Netherlands, P.O. Box 1, 1755 ZG Petten (Netherlands); Luster, J. [Research Unit Soil Sciences, Swiss Federal Institute for Forest, Snow and Landscape Research, Zuercherstrasse 111 CH-8903 Birmensdorf (Switzerland); Pampura, T. [Laboratory of Physical Chemistry of Soils, Institute of Physicochemical and Biological Problems in Soil Science RAS, Pushchino, Moscow Region, 142290 (Russian Federation); Shotbolt, L. [Department of Geography, Queen Mary, University of London, Mile End Road, London E1 4NS (United Kingdom); Tipping, E. [Centre for Ecology & Hydrology, Lancaster Environment Centre, Library Avenue, Bailrigg, Lancaster, LA1 4AP (United Kingdom)

    2010-07-01

    Models to predict the solid-solution partitioning of trace metals are important tools in risk assessment, providing information on the biological availability of metals and their leaching. Empirically based models, or transfer functions, published to date differ with respect to the mathematical model used, the optimization method, the methods used to determine metal concentrations in the solid and solution phases and the soil properties accounted for. Here we review these methodological aspects before deriving our own transfer functions that relate free metal ion activities to reactive metal contents in the solid phase. One single function was able to predict free-metal ion activities estimated by a variety of soil solution extraction methods. Evaluation of the mathematical formulation showed that transfer functions derived to optimize the Freundlich adsorption constant (Kf ), in contrast to functions derived to optimize either the solid or solution concentration, were most suitable for predicting concentrations in solution from solid phase concentrations and vice versa. The model was shown to be generally applicable on the basis of a large number of independent data, for which predicted free metal activities were within one order of magnitude of the observations. The model only over-estimated free-metal ion activities at alkaline pH (>7). The use of the reactive metal content measured by 0.43 m HNO3 rather than the total metal content resulted in a close correlation with measured data, particularly for nickel and zinc.

  13. Modeling of the solid-solution partitioning of heavy metals and arsenic in embanked flood plain soils of the rivers Rhine and Meuse

    NARCIS (Netherlands)

    Schröder, T.J.; Hiemstra, T.; Vink, J.P.M.

    2005-01-01

    The aim of this study is to predict the solid-solution partitioning of heavy metals in river flood plain soils. We compared mechanistic geochemical modeling with a statistical approach. To characterize the heavy metal contamination of embanked river flood plain soils in The Netherlands, we collected

  14. Modeling survival, yield, volume partitioning and their response to thinning for longleaf pine plantations

    Science.gov (United States)

    Carlos A. Gonzalez-Benecke; Salvador A. Gezan; Daniel J. Leduc; Timothy A. Martin; Wendell P. Cropper Jr; Lisa J Samuelson

    2012-01-01

    Longleaf pine (Pinus palustris Mill.) is an important tree species of the southeast U.S. Currently there is no comprehensive stand-level growth and yield model for the species. The model system described here estimates site index (SI) if dominant height (Hdom) and stand age are known (inversely, the model can project H

  15. Determining metal origins and availability in fluvial deposits by analysis of geochemical baselines and solid-solution partitioning measurements and modelling.

    Science.gov (United States)

    Vijver, Martina G; Spijker, Job; Vink, Jos P M; Posthuma, Leo

    2008-12-01

    Metals in floodplain soils and sediments (deposits) can originate from lithogenic and anthropogenic sources, and their availability for uptake in biota is hypothesized to depend on both origin and local sediment conditions. In criteria-based environmental risk assessments, these issues are often neglected, implying local risks to be often over-estimated. Current problem definitions in river basin management tend to require a refined, site-specific focus, resulting in a need to address both aspects. This paper focuses on the determination of local environmental availabilities of metals in fluvial deposits by addressing both the origins of the metals and their partitioning over the solid and solution phases. The environmental availability of metals is assumed to be a key force influencing exposure levels in field soils and sediments. Anthropogenic enrichments of Cu, Zn and Pb in top layers could be distinguished from lithogenic background concentrations and described using an aluminium-proxy. Cd in top layers was attributed to anthropogenic enrichment almost fully. Anthropogenic enrichments for Cu and Zn appeared further to be also represented by cold 2M HNO3 extraction of site samples. For Pb the extractions over-estimated the enrichments. Metal partitioning was measured, and measurements were compared to predictions generated by an empirical regression model and by a mechanistic-kinetic model. The partitioning models predicted metal partitioning in floodplain deposits within about one order of magnitude, though a large inter-sample variability was found for Pb.

  16. Partitioning detectability components in populations subject to within-season temporary emigration using binomial mixture models.

    Science.gov (United States)

    O'Donnell, Katherine M; Thompson, Frank R; Semlitsch, Raymond D

    2015-01-01

    Detectability of individual animals is highly variable and nearly always binomial mixture models to account for multiple sources of variation in detectability. The state process of the hierarchical model describes ecological mechanisms that generate spatial and temporal patterns in abundance, while the observation model accounts for the imperfect nature of counting individuals due to temporary emigration and false absences. We illustrate our model's potential advantages, including the allowance of temporary emigration between sampling periods, with a case study of southern red-backed salamanders Plethodon serratus. We fit our model and a standard binomial mixture model to counts of terrestrial salamanders surveyed at 40 sites during 3-5 surveys each spring and fall 2010-2012. Our models generated similar parameter estimates to standard binomial mixture models. Aspect was the best predictor of salamander abundance in our case study; abundance increased as aspect became more northeasterly. Increased time-since-rainfall strongly decreased salamander surface activity (i.e. availability for sampling), while higher amounts of woody cover objects and rocks increased conditional detection probability (i.e. probability of capture, given an animal is exposed to sampling). By explicitly accounting for both components of detectability, we increased congruence between our statistical modeling and our ecological understanding of the system. We stress the importance of choosing survey locations and protocols that maximize species availability and conditional detection probability to increase population parameter estimate reliability.

  17. Partitioning detectability components in populations subject to within-season temporary emigration using binomial mixture models.

    Directory of Open Access Journals (Sweden)

    Katherine M O'Donnell

    Full Text Available Detectability of individual animals is highly variable and nearly always < 1; imperfect detection must be accounted for to reliably estimate population sizes and trends. Hierarchical models can simultaneously estimate abundance and effective detection probability, but there are several different mechanisms that cause variation in detectability. Neglecting temporary emigration can lead to biased population estimates because availability and conditional detection probability are confounded. In this study, we extend previous hierarchical binomial mixture models to account for multiple sources of variation in detectability. The state process of the hierarchical model describes ecological mechanisms that generate spatial and temporal patterns in abundance, while the observation model accounts for the imperfect nature of counting individuals due to temporary emigration and false absences. We illustrate our model's potential advantages, including the allowance of temporary emigration between sampling periods, with a case study of southern red-backed salamanders Plethodon serratus. We fit our model and a standard binomial mixture model to counts of terrestrial salamanders surveyed at 40 sites during 3-5 surveys each spring and fall 2010-2012. Our models generated similar parameter estimates to standard binomial mixture models. Aspect was the best predictor of salamander abundance in our case study; abundance increased as aspect became more northeasterly. Increased time-since-rainfall strongly decreased salamander surface activity (i.e. availability for sampling, while higher amounts of woody cover objects and rocks increased conditional detection probability (i.e. probability of capture, given an animal is exposed to sampling. By explicitly accounting for both components of detectability, we increased congruence between our statistical modeling and our ecological understanding of the system. We stress the importance of choosing survey locations and

  18. How fault evolution changes strain partitioning and fault slip rates in Southern California: Results from geodynamic modeling

    Science.gov (United States)

    Ye, Jiyang; Liu, Mian

    2017-08-01

    In Southern California, the Pacific-North America relative plate motion is accommodated by the complex southern San Andreas Fault system that includes many young faults (faults and their impact on strain partitioning and fault slip rates are important for understanding the evolution of this plate boundary zone and assessing earthquake hazard in Southern California. Using a three-dimensional viscoelastoplastic finite element model, we have investigated how this plate boundary fault system has evolved to accommodate the relative plate motion in Southern California. Our results show that when the plate boundary faults are not optimally configured to accommodate the relative plate motion, strain is localized in places where new faults would initiate to improve the mechanical efficiency of the fault system. In particular, the Eastern California Shear Zone, the San Jacinto Fault, the Elsinore Fault, and the offshore dextral faults all developed in places of highly localized strain. These younger faults compensate for the reduced fault slip on the San Andreas Fault proper because of the Big Bend, a major restraining bend. The evolution of the fault system changes the apportionment of fault slip rates over time, which may explain some of the slip rate discrepancy between geological and geodetic measurements in Southern California. For the present fault configuration, our model predicts localized strain in western Transverse Ranges and along the dextral faults across the Mojave Desert, where numerous damaging earthquakes occurred in recent years.

  19. Partitioning CO2 fluxes with isotopologue measurements and modeling to understand mechanisms of forest carbon sequestration

    Energy Technology Data Exchange (ETDEWEB)

    Davidson, Eric A. [Woods Hole Research Center, Falmouth, MA (United States); Saleska, Scott [Univ. of Arizona, Tucson, AZ (United States); Savage, Kathleen [Woods Hole Research Center, Falmouth, MA (United States); Finzi, Adrien [Boston Univ., MA (United States); Moorcroft, Paul [Harvard Univ., Cambridge, MA (United States); Wehr, Richard [Univ. of Arizona, Tucson, AZ (United States)

    2016-02-18

    1. Project Summary and Objectives This project combines automated in situ observations of the isotopologues of CO2 with root observations, novel experimental manipulations of belowground processes, and isotope-enabled ecosystem modeling to investigate mechanisms of below- vs. aboveground carbon sequestration at the Harvard Forest Environmental Measurements Site (EMS). The proposed objectives, which have now been largely accomplished, include: A. Partitioning of net ecosystem CO2 exchange (NEE) into photosynthesis and respiration using long-term continuous observations of the isotopic composition of NEE, and analysis of their dynamics ; B. Investigation of the influence of vegetation phenology on the timing and magnitude of carbon allocated belowground using measurements of root growth and indices of belowground autotrophic vs. heterotrophic respiration (via trenched plots and isotope measurements); C. Testing whether plant allocation of carbon belowground stimulates the microbial decomposition of soil organic matter, using in situ rhizosphere simulation experiments wherein realistic quantities of artificial isotopically-labeled exudates are released into the soil; and D. Synthesis and interpretation of the above data using the Ecosystem Demography Model 2 (ED2).

  20. Partitioning CO2 fluxes with isotopologue measurements and modeling to understand mechanisms of forest carbon sequestration

    Energy Technology Data Exchange (ETDEWEB)

    Saleska, Scott [Univ. of Arizona, Tucson, AZ (United States). Dept. of Ecology and Evolutionary Biology; Davidson, Eric [Woods Hole Research Center, Falmouth, MA (United States); Finzi, Adrien [Boston Univ., MA (United States). Dept. of Biology; Wehr, Richard [Univ. of Arizona, Tucson, AZ (United States); Moorcroft, Paul [Harvard Univ., Cambridge, MA (United States). Dept. of Organismic and Evolutionary Biology

    2016-01-28

    This project combines automated in situ observations of the isotopologues of CO2 with root observations, novel experimental manipulations of below ground processes, and isotope-enabled ecosystem modeling to investigate mechanisms of below- vs. above ground carbon sequestration at the Harvard Forest Environmental Measurements Site (EMS). The proposed objectives, which have now been largely accomplished, include: (A) Partitioning of net ecosystem CO2 exchange (NEE) into photosynthesis and respiration using long-term continuous observations of the isotopic composition of NEE, and analysis of their dynamics; (B) Investigation of the influence of vegetation phenology on the timing and magnitude of carbon allocated below ground using measurements of root growth and indices of below ground autotrophic vs. heterotrophic respiration (via trenched plots andisotope measurements); (C) Testing whether plant allocation of carbon below ground stimulates the microbial decomposition of soil organic matter, using in situ rhizosphere simulation experiments wherein realistic quantities of artificial isotopically-labeled exudates are released into the soil; and (D) Synthesis and interpretation of the above data using the Ecosystem Demography Model 2 (ED2).

  1. Comment on 'Modeling of Convective-Stratiform Precipitation Processes: Sensitivity to Partitioning Methods' by Matthias Steiner

    Science.gov (United States)

    Lang, Steve; Tao, W.-K.; Simpson, J.; Ferrier, B.

    2003-01-01

    Despite the obvious notion that the presence of hail or graupel is a good indication of convection, the model results show this does not provide an objective benchmark partly due to the unrealistic presence of small amounts of hail or graupel throughout the anvil in the model but mainly because of the significant amounts of hail or graupel, especially in the tropical TOGA COARE simulation, in the transition zone. Without use of a "transition" category, it is open to debate as how this region should best be defined, as stratiform or as convective. So, the presence of significant hail or graupel contents in this zone significantly degrades its use an objective benchmark for convection. The separation algorithm comparison was done in the context of a cloud-resolving model. These models are widely used and serve a variety of purposes especially with regard to retrieving information that cannot be directly measured by providing synthetic data sets that are consistent and complete. Separation algorithms are regularly applied in these models. However, as with any modeling system, these types 'of models are constantly being improved to overcome any known deficiencies and make them more accurate representations of observed systems. The presence of hail and graupel in the anvil and the bias towards heavy rainfall rates are two such examples of areas that need improvement. Since, both of these can effect the perceived performance of the separation algorithms, the Lang et al. (2003) study did not want to overstate the relative performance of any specific algorithms.

  2. Using ISBA model for partitioning evapotranspiration into soil evaporation and plant transpiration of irrigated crops under semi-arid climate

    Science.gov (United States)

    Aouade, Ghizlane; Jarlan, Lionel; Ezzahar, Jamal; Er-raki, Salah; Napoly, Adrien; Benkaddour, Abdelfettah; Khabba, Said; Boulet, Gilles; Chehbouni, Abdelghani; Boone, Aaron

    2016-04-01

    The Haouz region, typical of southern Mediterranean basins, is characterized by a semi-arid climate, with average annual rainfall of 250, whilst evaporative demand is about 1600 mm per year. Under these conditions, crop irrigation is inevitable for growth and development. Irrigated agriculture currently consumes the majority of total available water (up to 85%), making it critical for more efficient water use. Flood irrigation is widely practiced by the majority of the farmers (more than 85 %) with an efficiency which does not exceed 50%. In this context, a good knowledge of the partitioning of evapotranspiration (ET) into soil evaporation and plant transpiration is of crucial need for improving the irrigation scheduling and thus water use efficiency. In this study, the ISBA (Interactions Soil-Biosphere-Atmosphere) model was used for estimating ET and its partition over an olive orchard and a wheat field located near to the Marrakech City (Centre of Morocco). Two versions were evaluated: standard version which simulates a single energy balance for the soil and vegetation and the recently developed multiple energy balance (MEB) version which solves a separate energy balance for each of the two sources. Eddy covariance system, which provides the sensible and latent heat fluxes and meteorological instruments were operated during years 2003-2004 for the Olive Orchard and during years 2013 for wheat. The transpiration component was measured using a Sap flow system during summer over the wheat crop and stable isotope samples were gathered over wheat. The comparison between ET estimated by ISBA model and that measured by the Eddy covariance system showed that MEB version yielded a remarkable improvement compared to the standard version. The root mean square error (RMSE) and the correlation coefficient (R²) were about 45wm-2 and 0.8 for MEB version. By contrast, for the standard version, the RMSE and R² were about 60wm-2 and 0.7, respectively. The result also showed that

  3. A Distributed Agent Implementation of Multiple Species Flocking Model for Document Partitioning Clustering

    Energy Technology Data Exchange (ETDEWEB)

    Cui, Xiaohui [ORNL; Potok, Thomas E [ORNL

    2006-01-01

    The Flocking model, first proposed by Craig Reynolds, is one of the first bio-inspired computational collective behavior models that has many popular applications, such as animation. Our early research has resulted in a flock clustering algorithm that can achieve better performance than the Kmeans or the Ant clustering algorithms for data clustering. This algorithm generates a clustering of a given set of data through the embedding of the highdimensional data items on a two-dimensional grid for efficient clustering result retrieval and visualization. In this paper, we propose a bio-inspired clustering model, the Multiple Species Flocking clustering model (MSF), and present a distributed multi-agent MSF approach for document clustering.

  4. Separation of very hydrophobic analytes by micellar electrokinetic chromatography IV. Modeling of the effective electrophoretic mobility from carbon number equivalents and octanol-water partition coefficients.

    Science.gov (United States)

    Huhn, Carolin; Pyell, Ute

    2008-07-11

    It is investigated whether those relationships derived within an optimization scheme developed previously to optimize separations in micellar electrokinetic chromatography can be used to model effective electrophoretic mobilities of analytes strongly differing in their properties (polarity and type of interaction with the pseudostationary phase). The modeling is based on two parameter sets: (i) carbon number equivalents or octanol-water partition coefficients as analyte descriptors and (ii) four coefficients describing properties of the separation electrolyte (based on retention data for a homologous series of alkyl phenyl ketones used as reference analytes). The applicability of the proposed model is validated comparing experimental and calculated effective electrophoretic mobilities. The results demonstrate that the model can effectively be used to predict effective electrophoretic mobilities of neutral analytes from the determined carbon number equivalents or from octanol-water partition coefficients provided that the solvation parameters of the analytes of interest are similar to those of the reference analytes.

  5. Statistical modelling with quantile functions

    CERN Document Server

    Gilchrist, Warren

    2000-01-01

    Galton used quantiles more than a hundred years ago in describing data. Tukey and Parzen used them in the 60s and 70s in describing populations. Since then, the authors of many papers, both theoretical and practical, have used various aspects of quantiles in their work. Until now, however, no one put all the ideas together to form what turns out to be a general approach to statistics.Statistical Modelling with Quantile Functions does just that. It systematically examines the entire process of statistical modelling, starting with using the quantile function to define continuous distributions. The author shows that by using this approach, it becomes possible to develop complex distributional models from simple components. A modelling kit can be developed that applies to the whole model - deterministic and stochastic components - and this kit operates by adding, multiplying, and transforming distributions rather than data.Statistical Modelling with Quantile Functions adds a new dimension to the practice of stati...

  6. Modeling the partitioning of organic chemical species in cloud phases with CLEPS (1.1)

    Science.gov (United States)

    Rose, Clémence; Chaumerliac, Nadine; Deguillaume, Laurent; Perroux, Hélène; Mouchel-Vallon, Camille; Leriche, Maud; Patryl, Luc; Armand, Patrick

    2018-02-01

    The new detailed aqueous-phase mechanism Cloud Explicit Physico-chemical Scheme (CLEPS 1.0), which describes the oxidation of isoprene-derived water-soluble organic compounds, is coupled with a warm microphysical module simulating the activation of aerosol particles into cloud droplets. CLEPS 1.0 was then extended to CLEPS 1.1 to include the chemistry of the newly added dicarboxylic acids dissolved from the particulate phase. The resulting coupled model allows the prediction of the aqueous-phase concentrations of chemical compounds originating from particle scavenging, mass transfer from the gas-phase and in-cloud aqueous chemical reactivity. The aim of the present study was more particularly to investigate the effect of particle scavenging on cloud chemistry. Several simulations were performed to assess the influence of various parameters on model predictions and to interpret long-term measurements conducted at the top of Puy de Dôme (PUY, France) in marine air masses. Specific attention was paid to carboxylic acids, whose predicted concentrations are on average in the lower range of the observations, with the exception of formic acid, which is rather overestimated in the model. The different sensitivity runs highlight the fact that formic and acetic acids mainly originate from the gas phase and have highly variable aqueous-phase reactivity depending on the cloud acidity, whereas C3-C4 carboxylic acids mainly originate from the particulate phase and are supersaturated in the cloud.

  7. Extended sorption partitioning models for pesticide leaching risk assessments: Can we improve upon the k{sub oc} concept?

    Energy Technology Data Exchange (ETDEWEB)

    Jarvis, Nicholas, E-mail: nicholas.jarvis@slu.se

    2016-01-01

    from literature on pesticide sorption, focusing on subsoil. • Overall, k{sub oc} doubled as the organic carbon content decreased by a factor of ten. • Increases in apparent k{sub oc} for low k{sub oc} compounds were mainly due to sorption to clay. • A simple extended partitioning model shows promise for risk assessment modelling.

  8. Functioning with a Sticky Model.

    Science.gov (United States)

    Reys, Robert E.

    1981-01-01

    A model that can be effectively used to develop the notion of function and provide varied practice by using "real world" examples and concrete objects is covered. The use of Popsicle-sticks is featured, with some suggestions for tasks involving functions with one operation, two operations, and inverse operations covered. (MP)

  9. Testing a tri-partite contingent model of engineering cultures: A pilot study

    International Nuclear Information System (INIS)

    Murphy, Glen D.

    2010-01-01

    For some time there has been a growing awareness of organizational culture and its impact on the functioning of engineering and maintenance departments. Those wishing to implement contemporary maintenance regimes (e.g. condition based maintenance) are often encouraged to develop 'appropriate cultures' to support a new method's introduction. Unfortunately these same publications often fail to specifically articulate the cultural values required to support those efforts. In the broader literature, only a limited number of case examples document the cultural values held by engineering asset intensive firms and how they contribute to their success (or failure). Consequently a gap exists in our knowledge of what engineering cultures currently might look like, or what might constitute a best practice engineering asset culture. The findings of a pilot study investigating the perceived ideal characteristics of engineering asset cultures are reported. Engineering managers, consultants and academics (n=47), were surveyed as to what they saw were essential attributes of both engineering cultures and engineering asset personnel. Valued cultural elements included those orientated around continuous improvement, safety and quality. Valued individual attributes included openness to change, interpersonal skills and conscientiousness. The paper concludes with a discussion regarding the development of a best practice cultural framework for practitioners and engineering managers.

  10. Classification algorithms using adaptive partitioning

    KAUST Repository

    Binev, Peter; Cohen, Albert; Dahmen, Wolfgang; DeVore, Ronald

    2014-01-01

    © 2014 Institute of Mathematical Statistics. Algorithms for binary classification based on adaptive tree partitioning are formulated and analyzed for both their risk performance and their friendliness to numerical implementation. The algorithms can be viewed as generating a set approximation to the Bayes set and thus fall into the general category of set estimators. In contrast with the most studied tree-based algorithms, which utilize piecewise constant approximation on the generated partition [IEEE Trans. Inform. Theory 52 (2006) 1335.1353; Mach. Learn. 66 (2007) 209.242], we consider decorated trees, which allow us to derive higher order methods. Convergence rates for these methods are derived in terms the parameter - of margin conditions and a rate s of best approximation of the Bayes set by decorated adaptive partitions. They can also be expressed in terms of the Besov smoothness β of the regression function that governs its approximability by piecewise polynomials on adaptive partition. The execution of the algorithms does not require knowledge of the smoothness or margin conditions. Besov smoothness conditions are weaker than the commonly used Holder conditions, which govern approximation by nonadaptive partitions, and therefore for a given regression function can result in a higher rate of convergence. This in turn mitigates the compatibility conflict between smoothness and margin parameters.

  11. Classification algorithms using adaptive partitioning

    KAUST Repository

    Binev, Peter

    2014-12-01

    © 2014 Institute of Mathematical Statistics. Algorithms for binary classification based on adaptive tree partitioning are formulated and analyzed for both their risk performance and their friendliness to numerical implementation. The algorithms can be viewed as generating a set approximation to the Bayes set and thus fall into the general category of set estimators. In contrast with the most studied tree-based algorithms, which utilize piecewise constant approximation on the generated partition [IEEE Trans. Inform. Theory 52 (2006) 1335.1353; Mach. Learn. 66 (2007) 209.242], we consider decorated trees, which allow us to derive higher order methods. Convergence rates for these methods are derived in terms the parameter - of margin conditions and a rate s of best approximation of the Bayes set by decorated adaptive partitions. They can also be expressed in terms of the Besov smoothness β of the regression function that governs its approximability by piecewise polynomials on adaptive partition. The execution of the algorithms does not require knowledge of the smoothness or margin conditions. Besov smoothness conditions are weaker than the commonly used Holder conditions, which govern approximation by nonadaptive partitions, and therefore for a given regression function can result in a higher rate of convergence. This in turn mitigates the compatibility conflict between smoothness and margin parameters.

  12. Explicit modeling of volatile organic compounds partitioning in the atmospheric aqueous phase

    Directory of Open Access Journals (Sweden)

    C. Mouchel-Vallon

    2013-01-01

    Full Text Available The gas phase oxidation of organic species is a multigenerational process involving a large number of secondary compounds. Most secondary organic species are water-soluble multifunctional oxygenated molecules. The fully explicit chemical mechanism GECKO-A (Generator of Explicit Chemistry and Kinetics of Organics in the Atmosphere is used to describe the oxidation of organics in the gas phase and their mass transfer to the aqueous phase. The oxidation of three hydrocarbons of atmospheric interest (isoprene, octane and α-pinene is investigated for various NOx conditions. The simulated oxidative trajectories are examined in a new two dimensional space defined by the mean oxidation state and the solubility. The amount of dissolved organic matter was found to be very low (yield less than 2% on carbon atom basis under a water content typical of deliquescent aerosols. For cloud water content, 50% (isoprene oxidation to 70% (octane oxidation of the carbon atoms are found in the aqueous phase after the removal of the parent hydrocarbons for low NOx conditions. For high NOx conditions, this ratio is only 5% in the isoprene oxidation case, but remains large for α-pinene and octane oxidation cases (40% and 60%, respectively. Although the model does not yet include chemical reactions in the aqueous phase, much of this dissolved organic matter should be processed in cloud drops and modify both oxidation rates and the speciation of organic species.

  13. The grand partition function Z (α,β) of a quantum system is studied, using diagrammatic representations of the perturbation expansion

    International Nuclear Information System (INIS)

    Dominicis, C. de

    1961-01-01

    The grand partition function Z (α,β) of a quantum system is studied, using diagrammatic representations of the perturbation expansion. For a fermions system, it is possible to show, by proper resummation, without approximations but under some 'regularity hypothesis', that Log Z (α,β) takes a form where, besides trivial dependences, α and β only appear through a statistical factor F k - = [1 + e -α+βε k 0 -βW k ] -1 . W k is a (real) self-consistent potential, generalized to all orders and can be defined by a stationary condition on Log Z (α,β) under variations of F k - . The thermodynamical quantities take a form analogous to the expressions Landau introduced for the Fermi liquids. The zero temperature limit (for isotropic systems) gives back Goldstone expressions for the ground state of a system. (author) [fr

  14. Cylindric partitions, {{\\boldsymbol{ W }}}_{r} characters and the Andrews-Gordon-Bressoud identities

    Science.gov (United States)

    Foda, O.; Welsh, T. A.

    2016-04-01

    We study the Andrews-Gordon-Bressoud (AGB) generalisations of the Rogers-Ramanujan q-series identities in the context of cylindric partitions. We recall the definition of r-cylindric partitions, and provide a simple proof of Borodin’s product expression for their generating functions, that can be regarded as a limiting case of an unpublished proof by Krattenthaler. We also recall the relationships between the r-cylindric partition generating functions, the principal characters of {\\hat{{sl}}}r algebras, the {{\\boldsymbol{ M }}}r r,r+d minimal model characters of {{\\boldsymbol{ W }}}r algebras, and the r-string abaci generating functions, providing simple proofs for each. We then set r = 2, and use two-cylindric partitions to re-derive the AGB identities as follows. Firstly, we use Borodin’s product expression for the generating functions of the two-cylindric partitions with infinitely long parts, to obtain the product sides of the AGB identities, times a factor {(q;q)}∞ -1, which is the generating function of ordinary partitions. Next, we obtain a bijection from the two-cylindric partitions, via two-string abaci, into decorated versions of Bressoud’s restricted lattice paths. Extending Bressoud’s method of transforming between restricted paths that obey different restrictions, we obtain sum expressions with manifestly non-negative coefficients for the generating functions of the two-cylindric partitions which contains a factor {(q;q)}∞ -1. Equating the product and sum expressions of the same two-cylindric partitions, and canceling a factor of {(q;q)}∞ -1 on each side, we obtain the AGB identities.

  15. Evaluation of the performance and limitations of empirical partition-relations and process based multisurface models to predict trace element solubility in soils

    Energy Technology Data Exchange (ETDEWEB)

    Groenenberg, J.E.; Bonten, L.T.C. [Alterra, Wageningen UR, P.O. Box 47, 6700 AA Wageningen (Netherlands); Dijkstra, J.J. [Energy research Centre of the Netherlands ECN, P.O. Box 1, 1755 ZG Petten (Netherlands); De Vries, W. [Department of Environmental Systems Analysis, Wageningen University, Wageningen UR, P.O. Box 47, 6700 AA Wageningen (Netherlands); Comans, R.N.J. [Department of Soil Quality, Wageningen University, Wageningen UR, P.O. Box 47, 6700 AA Wageningen (Netherlands)

    2012-07-15

    Here we evaluate the performance and limitations of two frequently used model-types to predict trace element solubility in soils: regression based 'partition-relations' and thermodynamically based 'multisurface models', for a large set of elements. For this purpose partition-relations were derived for As, Ba, Cd, Co, Cr, Cu, Mo, Ni, Pb, Sb, Se, V, Zn. The multi-surface model included aqueous speciation, mineral equilibria, sorption to organic matter, Fe/Al-(hydr)oxides and clay. Both approaches were evaluated by their application to independent data for a wide variety of conditions. We conclude that Freundlich-based partition-relations are robust predictors for most cations and can be used for independent soils, but within the environmental conditions of the data used for their derivation. The multisurface model is shown to be able to successfully predict solution concentrations over a wide range of conditions. Predicted trends for oxy-anions agree well for both approaches but with larger (random) deviations than for cations.

  16. A unified algorithm for predicting partition coefficients for PBPK modeling of drugs and environmental chemicals

    International Nuclear Information System (INIS)

    Peyret, Thomas; Poulin, Patrick; Krishnan, Kannan

    2010-01-01

    The algorithms in the literature focusing to predict tissue:blood PC (P tb ) for environmental chemicals and tissue:plasma PC based on total (K p ) or unbound concentration (K pu ) for drugs differ in their consideration of binding to hemoglobin, plasma proteins and charged phospholipids. The objective of the present study was to develop a unified algorithm such that P tb , K p and K pu for both drugs and environmental chemicals could be predicted. The development of the unified algorithm was accomplished by integrating all mechanistic algorithms previously published to compute the PCs. Furthermore, the algorithm was structured in such a way as to facilitate predictions of the distribution of organic compounds at the macro (i.e. whole tissue) and micro (i.e. cells and fluids) levels. The resulting unified algorithm was applied to compute the rat P tb , K p or K pu of muscle (n = 174), liver (n = 139) and adipose tissue (n = 141) for acidic, neutral, zwitterionic and basic drugs as well as ketones, acetate esters, alcohols, aliphatic hydrocarbons, aromatic hydrocarbons and ethers. The unified algorithm reproduced adequately the values predicted previously by the published algorithms for a total of 142 drugs and chemicals. The sensitivity analysis demonstrated the relative importance of the various compound properties reflective of specific mechanistic determinants relevant to prediction of PC values of drugs and environmental chemicals. Overall, the present unified algorithm uniquely facilitates the computation of macro and micro level PCs for developing organ and cellular-level PBPK models for both chemicals and drugs.

  17. Prediction of octanol-air partition coefficients for polychlorinated biphenyls (PCBs) using 3D-QSAR models.

    Science.gov (United States)

    Chen, Ying; Cai, Xiaoyu; Jiang, Long; Li, Yu

    2016-02-01

    Based on the experimental data of octanol-air partition coefficients (KOA) for 19 polychlorinated biphenyl (PCB) congeners, two types of QSAR methods, comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA), are used to establish 3D-QSAR models using the structural parameters as independent variables and using logKOA values as the dependent variable with the Sybyl software to predict the KOA values of the remaining 190 PCB congeners. The whole data set (19 compounds) was divided into a training set (15 compounds) for model generation and a test set (4 compounds) for model validation. As a result, the cross-validation correlation coefficient (q(2)) obtained by the CoMFA and CoMSIA models (shuffled 12 times) was in the range of 0.825-0.969 (>0.5), the correlation coefficient (r(2)) obtained was in the range of 0.957-1.000 (>0.9), and the SEP (standard error of prediction) of test set was within the range of 0.070-0.617, indicating that the models were robust and predictive. Randomly selected from a set of models, CoMFA analysis revealed that the corresponding percentages of the variance explained by steric and electrostatic fields were 23.9% and 76.1%, respectively, while CoMSIA analysis by steric, electrostatic and hydrophobic fields were 0.6%, 92.6%, and 6.8%, respectively. The electrostatic field was determined as a primary factor governing the logKOA. The correlation analysis of the relationship between the number of Cl atoms and the average logKOA values of PCBs indicated that logKOA values gradually increased as the number of Cl atoms increased. Simultaneously, related studies on PCB detection in the Arctic and Antarctic areas revealed that higher logKOA values indicate a stronger PCB migration ability. From CoMFA and CoMSIA contour maps, logKOA decreased when substituents possessed electropositive groups at the 2-, 3-, 3'-, 5- and 6- positions, which could reduce the PCB migration ability. These results are

  18. A deterministic width function model

    Directory of Open Access Journals (Sweden)

    C. E. Puente

    2003-01-01

    Full Text Available Use of a deterministic fractal-multifractal (FM geometric method to model width functions of natural river networks, as derived distributions of simple multifractal measures via fractal interpolating functions, is reported. It is first demonstrated that the FM procedure may be used to simulate natural width functions, preserving their most relevant features like their overall shape and texture and their observed power-law scaling on their power spectra. It is then shown, via two natural river networks (Racoon and Brushy creeks in the United States, that the FM approach may also be used to closely approximate existing width functions.

  19. Modeling the formation, decay, and partitioning of semivolatile nitro-polycyclic aromatic hydrocarbons (nitronaphthalenes) in the atmosphere

    DEFF Research Database (Denmark)

    Feilberg, A.; Kamens, R.M.; Strommen, M.R.

    1999-01-01

    A nitronaphthalene kinetics mechanism has been implemented and added to the photochemical smog mechanism, Carbon Bond-4. This mechanism was used to simulate the formation, decay, and partitioning of 1- and 2-nitronaphthalene and compare it to outdoor smog chamber data. The results suggest that th...

  20. Analytical prediction of the interior noise for cylindrical models of aircraft fuselages for prescribed exterior noise fields. Phase 2: Models for sidewall trim, stiffened structures and cabin acoustics with floor partition

    Science.gov (United States)

    Pope, L. D.; Wilby, E. G.

    1982-01-01

    An airplane interior noise prediction model is developed to determine the important parameters associated with sound transmission into the interiors of airplanes, and to identify apropriate noise control methods. Models for stiffened structures, and cabin acoustics with floor partition are developed. Validation studies are undertaken using three test articles: a ring stringer stiffened cylinder, an unstiffened cylinder with floor partition, and ring stringer stiffened cylinder with floor partition and sidewall trim. The noise reductions of the three test articles are computed using the heoretical models and compared to measured values. A statistical analysis of the comparison data indicates that there is no bias in the predictions although a substantial random error exists so that a discrepancy of more than five or six dB can be expected for about one out of three predictions.

  1. Zhang functions and various models

    CERN Document Server

    Zhang, Yunong

    2015-01-01

    This book focuses on solving different types of time-varying problems. It presents various Zhang dynamics (ZD) models by defining various Zhang functions (ZFs) in real and complex domains. It then provides theoretical analyses of such ZD models and illustrates their results. It also uses simulations to substantiate their efficacy and show the feasibility of the presented ZD approach (i.e., different ZFs leading to different ZD models), which is further applied to the repetitive motion planning (RMP) of redundant robots, showing its application potential.

  2. A multilevel search algorithm for the maximization of submodular functions applied to the quadratic cost partition problem

    NARCIS (Netherlands)

    Goldengorin, B.; Ghosh, D.

    Maximization of submodular functions on a ground set is a NP-hard combinatorial optimization problem. Data correcting algorithms are among the several algorithms suggested for solving this problem exactly and approximately. From the point of view of Hasse diagrams data correcting algorithms use

  3. Partitioning of L-methionine in aqueous two-phase systems containing poly(propylene glycol) and sodium phosphate salts

    Energy Technology Data Exchange (ETDEWEB)

    Salabat, Alireza, E-mail: a-salabat@araku.ac.ir [Chemistry Department, Arak University, P.O. Box 38156-879, Arak (Iran, Islamic Republic of); Sadeghi, Rahmat [Department of Chemistry, University of Kurdistan, Sanandaj, Kurdistan 66135 (Iran, Islamic Republic of); Moghadam, Somayeh Tiani [Chemistry Department, Arak University, P.O. Box 38156-879, Arak (Iran, Islamic Republic of); Jamehbozorg, Bahman [Department of Chemistry, University of Kurdistan, Sanandaj, Kurdistan 66135 (Iran, Islamic Republic of)

    2011-10-15

    Highlights: > Thermodynamics parameters for partitioning of L-methionine in ATPS. > Investigation of different effects on partition coefficient of the amino acid. > Propose the best condition for L-methionine partitioning. - Abstract: The partitioning behavior of L-methionine has been studied in aqueous two-phase systems of (poly(propylene glycol) + sodium phosphate salts + H{sub 2}O) at different temperatures. The salts used were sodium di-hydrogen phosphate (NaH{sub 2}PO{sub 4}), di-sodium hydrogen phosphate (Na{sub 2}HPO{sub 4}) and tri-sodium phosphate (Na{sub 3}PO{sub 4}). The effects of tie line length, salt type, and temperature on the partition coefficient of this amino acid have been studied. In addition, thermodynamic parameters ({Delta}H{sup o}, {Delta}S{sup o} and {Delta}G{sup o}) as a function of temperature were calculated. The results showed that increasing tie line length led to decreasing of the partition coefficient. We also showed that the partition coefficients of the amino acid in the systems containing Na{sub 3}PO{sub 4} are greater than the other two salts. Moreover, it is verified that increasing temperature led to decreasing the partition coefficient. The experimental partition coefficient data are correlated using a modified virial-type model.

  4. Partitioning of L-methionine in aqueous two-phase systems containing poly(propylene glycol) and sodium phosphate salts

    International Nuclear Information System (INIS)

    Salabat, Alireza; Sadeghi, Rahmat; Moghadam, Somayeh Tiani; Jamehbozorg, Bahman

    2011-01-01

    Highlights: → Thermodynamics parameters for partitioning of L-methionine in ATPS. → Investigation of different effects on partition coefficient of the amino acid. → Propose the best condition for L-methionine partitioning. - Abstract: The partitioning behavior of L-methionine has been studied in aqueous two-phase systems of (poly(propylene glycol) + sodium phosphate salts + H 2 O) at different temperatures. The salts used were sodium di-hydrogen phosphate (NaH 2 PO 4 ), di-sodium hydrogen phosphate (Na 2 HPO 4 ) and tri-sodium phosphate (Na 3 PO 4 ). The effects of tie line length, salt type, and temperature on the partition coefficient of this amino acid have been studied. In addition, thermodynamic parameters (ΔH o , ΔS o and ΔG o ) as a function of temperature were calculated. The results showed that increasing tie line length led to decreasing of the partition coefficient. We also showed that the partition coefficients of the amino acid in the systems containing Na 3 PO 4 are greater than the other two salts. Moreover, it is verified that increasing temperature led to decreasing the partition coefficient. The experimental partition coefficient data are correlated using a modified virial-type model.

  5. Niche partitioning of feeding microhabitats produces a unique function for herbivorous rabbitfishes (Perciformes, Siganidae) on coral reefs

    Science.gov (United States)

    Fox, R. J.; Bellwood, D. R.

    2013-03-01

    Niche theory predicts that coexisting species minimise competition by evolving morphological or behavioural specialisations that allow them to spread out along resource axes such as space, diet and temporal activity. These specialisations define how a species interacts with its environment and, by extension, determine its functional role. Here, we examine the feeding niche of three species of coral reef-dwelling rabbitfishes (Siganidae, Siganus). By comparing aspects of their feeding behaviour (bite location, bite rate, foraging distance) with that of representative species from two other abundant herbivorous fish families, the parrotfishes (Labridae, Scarus) and surgeonfishes (Acanthuridae, Acanthurus), we examine whether rabbitfishes have a feeding niche distinct from other members of the herbivore guild. Measurements of the penetration of the fishes' snouts and bodies into reef concavities when feeding revealed that rabbitfish fed to a greater degree from reef crevices and interstices than other herbivores. There was just a 40 % overlap in the penetration-depth niche between rabbitfish and surgeonfish and a 45 % overlap between rabbitfish and parrotfish, compared with the almost complete niche overlap (95 %) recorded for parrotfish and surgeonfish along this spatial niche axis. Aspects of the morphology of rabbitfish which may contribute to this niche segregation include a comparatively longer, narrower snout and narrower head. Our results suggest that sympatric coexistence of rabbitfish and other reef herbivores is facilitated by segregation along a spatial (and potentially dietary) axis. This segregation results in a unique functional role for rabbitfishes among roving herbivores that of "crevice-browser": a group that specifically feeds on crevice-dwelling algal or benthic organisms. This functional trait may have implications for reef ecosystem processes in terms of controlling the successional development of crevice-based algal communities, reducing their

  6. Polydimethylsiloxane-air partition ratios for semi-volatile organic compounds by GC-based measurement and COSMO-RS estimation: Rapid measurements and accurate modelling.

    Science.gov (United States)

    Okeme, Joseph O; Parnis, J Mark; Poole, Justen; Diamond, Miriam L; Jantunen, Liisa M

    2016-08-01

    Polydimethylsiloxane (PDMS) shows promise for use as a passive air sampler (PAS) for semi-volatile organic compounds (SVOCs). To use PDMS as a PAS, knowledge of its chemical-specific partitioning behaviour and time to equilibrium is needed. Here we report on the effectiveness of two approaches for estimating the partitioning properties of polydimethylsiloxane (PDMS), values of PDMS-to-air partition ratios or coefficients (KPDMS-Air), and time to equilibrium of a range of SVOCs. Measured values of KPDMS-Air, Exp' at 25 °C obtained using the gas chromatography retention method (GC-RT) were compared with estimates from a poly-parameter free energy relationship (pp-FLER) and a COSMO-RS oligomer-based model. Target SVOCs included novel flame retardants (NFRs), polybrominated diphenyl ethers (PBDEs), polycyclic aromatic hydrocarbons (PAHs), organophosphate flame retardants (OPFRs), polychlorinated biphenyls (PCBs) and organochlorine pesticides (OCPs). Significant positive relationships were found between log KPDMS-Air, Exp' and estimates made using the pp-FLER model (log KPDMS-Air, pp-LFER) and the COSMOtherm program (log KPDMS-Air, COSMOtherm). The discrepancy and bias between measured and predicted values were much higher for COSMO-RS than the pp-LFER model, indicating the anticipated better performance of the pp-LFER model than COSMO-RS. Calculations made using measured KPDMS-Air, Exp' values show that a PDMS PAS of 0.1 cm thickness will reach 25% of its equilibrium capacity in ∼1 day for alpha-hexachlorocyclohexane (α-HCH) to ∼ 500 years for tris (4-tert-butylphenyl) phosphate (TTBPP), which brackets the volatility range of all compounds tested. The results presented show the utility of GC-RT method for rapid and precise measurements of KPDMS-Air. Copyright © 2016. Published by Elsevier Ltd.

  7. Synchrotron Micro-XANES Measurements of Vanadium Oxidation State in Glasses as a Function of Oxygen Fugacity: Experimental Calibration of Data Relevant to Partition Coefficient Determination

    Science.gov (United States)

    Delaney, J. S.; Sutton, S. R.; Newville, M.; Jones, J. H.; Hanson, B.; Dyar, M. D.; Schreiber, H.

    2000-01-01

    Oxidation state microanalyses for V in glass have been made by calibrating XANES spectral features with optical spectroscopic measurements. The oxidation state change with fugacity of O2 will strongly influence partitioning results.

  8. High-temperature partition functions, specific heats and spectral radiative properties of diatomic molecules with an improved calculation of energy levels

    Science.gov (United States)

    Qin, Z.; Zhao, J. M.; Liu, L. H.

    2018-05-01

    The level energies of diatomic molecules calculated by the frequently used Dunham expansion will become less accurate for high-lying vibrational and rotational levels. In this paper, the potential curves for the lower-lying electronic states with accurate spectroscopic constants are reconstructed using the Rydberg-Klein-Rees (RKR) method, which are extrapolated to the dissociation limits by fitting of the theoretical potentials, and the rest of the potential curves are obtained from the ab-initio results in the literature. Solving the rotational dependence of the radial Schrödinger equation over the obtained potential curves, we determine the rovibrational level energies, which are then used to calculate the equilibrium and non-equilibrium thermodynamic properties of N2, N2+, NO, O2, CN, C2, CO and CO+. The partition functions and the specific heats are systematically validated by available data in the literature. Finally, we calculate the radiative source strengths of diatomic molecules in thermodynamic equilibrium, which agree well with the available values in the literature. The spectral radiative intensities for some diatomic molecules in thermodynamic non-equilibrium are calculated and validated by available experimental data.

  9. Partitioning the impact of environment and spatial structure on alpha and beta components of taxonomic, functional, and phylogenetic diversity in European ants.

    Science.gov (United States)

    Arnan, Xavier; Cerdá, Xim; Retana, Javier

    2015-01-01

    We analyze the relative contribution of environmental and spatial variables to the alpha and beta components of taxonomic (TD), phylogenetic (PD), and functional (FD) diversity in ant communities found along different climate and anthropogenic disturbance gradients across western and central Europe, in order to assess the mechanisms structuring ant biodiversity. To this aim we calculated alpha and beta TD, PD, and FD for 349 ant communities, which included a total of 155 ant species; we examined 10 functional traits and phylogenetic relatedness. Variation partitioning was used to examine how much variation in ant diversity was explained by environmental and spatial variables. Autocorrelation in diversity measures and each trait's phylogenetic signal were also analyzed. We found strong autocorrelation in diversity measures. Both environmental and spatial variables significantly contributed to variation in TD, PD, and FD at both alpha and beta scales; spatial structure had the larger influence. The different facets of diversity showed similar patterns along environmental gradients. Environment explained a much larger percentage of variation in FD than in TD or PD. All traits demonstrated strong phylogenetic signals. Our results indicate that environmental filtering and dispersal limitations structure all types of diversity in ant communities. Strong dispersal limitations appear to have led to clustering of TD, PD, and FD in western and central Europe, probably because different historical and evolutionary processes generated different pools of species. Remarkably, these three facets of diversity showed parallel patterns along environmental gradients. Trait-mediated species sorting and niche conservatism appear to structure ant diversity, as evidenced by the fact that more variation was explained for FD and that all traits had strong phylogenetic signals. Since environmental variables explained much more variation in FD than in PD, functional diversity should be a

  10. Cost functions of greenhouse models

    International Nuclear Information System (INIS)

    Linderoth, H.

    2000-01-01

    The benchmark is equal to the cost (D) caused by an increase in temperature since the middle of the nineteenth century (T) of nearly 2.5 deg. C. According to mainstream economists, the benchmark is 1-2% of GDP, but very different estimates can also be found. Even though there appears to be agreement among a number of economists that the benchmark is 1-2% of GDP, major differences exist when it comes to estimating D for different sectors. One of the main problems is how to estimate non-market activities. Normally, the benchmark is the best guess, but due to the possibility of catastrophic events this can be considerable smaller than the mean. Certainly, the cost function is skewed to the right. The benchmark is just one point on the cost curve. To a great extent, cost functions are alike in greenhouse models (D = α ''.T'' λ). Cost functions are region and sector dependent in several models. In any case, both α (benchmark) and λ are rough estimates. Besides being dependent on α and λ, the marginal emission cost depends on the discount rate. In fact, because emissions have effects continuing for many years, the discount rate is clearly the most important parameter. (au) (au)

  11. Transfer Function Identification Using Orthogonal Fourier Transform Modeling Functions

    Science.gov (United States)

    Morelli, Eugene A.

    2013-01-01

    A method for transfer function identification, including both model structure determination and parameter estimation, was developed and demonstrated. The approach uses orthogonal modeling functions generated from frequency domain data obtained by Fourier transformation of time series data. The method was applied to simulation data to identify continuous-time transfer function models and unsteady aerodynamic models. Model fit error, estimated model parameters, and the associated uncertainties were used to show the effectiveness of the method for identifying accurate transfer function models from noisy data.

  12. [On the partition of acupuncture academic schools].

    Science.gov (United States)

    Yang, Pengyan; Luo, Xi; Xia, Youbing

    2016-05-01

    Nowadays extensive attention has been paid on the research of acupuncture academic schools, however, a widely accepted method of partition of acupuncture academic schools is still in need. In this paper, the methods of partition of acupuncture academic schools in the history have been arranged, and three typical methods of"partition of five schools" "partition of eighteen schools" and "two-stage based partition" are summarized. After adeep analysis on the disadvantages and advantages of these three methods, a new method of partition of acupuncture academic schools that is called "three-stage based partition" is proposed. In this method, after the overall acupuncture academic schools are divided into an ancient stage, a modern stage and a contemporary stage, each schoolis divided into its sub-school category. It is believed that this method of partition can remedy the weaknesses ofcurrent methods, but also explore a new model of inheritance and development under a different aspect through thedifferentiation and interaction of acupuncture academic schools at three stages.

  13. Min-max Extrapolation Scheme for Fast Estimation of 3D Potts Field Partition Functions. Application to the Joint Detection-Estimation of Brain Activity in fMRI

    International Nuclear Information System (INIS)

    Risser, L.; Vincent, T.; Ciuciu, P.; Risser, L.; Idier, J.; Risser, L.; Forbes, F.

    2011-01-01

    In this paper, we propose a fast numerical scheme to estimate Partition Functions (PF) of symmetric Potts fields. Our strategy is first validated on 2D two-color Potts fields and then on 3D two- and three-color Potts fields. It is then applied to the joint detection-estimation of brain activity from functional Magnetic Resonance Imaging (fMRI) data, where the goal is to automatically recover activated, deactivated and inactivated brain regions and to estimate region dependent hemodynamic filters. For any brain region, a specific 3D Potts field indeed embodies the spatial correlation over the hidden states of the voxels by modeling whether they are activated, deactivated or inactive. To make spatial regularization adaptive, the PFs of the Potts fields over all brain regions are computed prior to the brain activity estimation. Our approach is first based upon a classical path-sampling method to approximate a small subset of reference PFs corresponding to pre-specified regions. Then, we propose an extrapolation method that allows us to approximate the PFs associated to the Potts fields defined over the remaining brain regions. In comparison with preexisting methods either based on a path sampling strategy or mean-field approximations, our contribution strongly alleviates the computational cost and makes spatially adaptive regularization of whole brain fMRI datasets feasible. It is also robust against grid inhomogeneities and efficient irrespective of the topological configurations of the brain regions. (authors)

  14. Functional validation of candidate genes detected by genomic feature models

    DEFF Research Database (Denmark)

    Rohde, Palle Duun; Østergaard, Solveig; Kristensen, Torsten Nygaard

    2018-01-01

    to investigate locomotor activity, and applied genomic feature prediction models to identify gene ontology (GO) cate- gories predictive of this phenotype. Next, we applied the covariance association test to partition the genomic variance of the predictive GO terms to the genes within these terms. We...... then functionally assessed whether the identified candidate genes affected locomotor activity by reducing gene expression using RNA interference. In five of the seven candidate genes tested, reduced gene expression altered the phenotype. The ranking of genes within the predictive GO term was highly correlated......Understanding the genetic underpinnings of complex traits requires knowledge of the genetic variants that contribute to phenotypic variability. Reliable statistical approaches are needed to obtain such knowledge. In genome-wide association studies, variants are tested for association with trait...

  15. The importance of having an appropriate data segmentation (partitioning)

    CERN Document Server

    Dimitrov, Gancho; The ATLAS collaboration

    2014-01-01

    In this presentation will be shown real life examples from database applications in the ATLAS experiment @ LHC where we make use of many Oracle partitioning techniques available in Oracle 11g. With the broadly used range partitioning and its option of automatic interval partitioning we add our own logic in PLSQL for sustaining data sliding windows in order to enforce various data retention policies. We also make use of the reference partitioning in some use cases, however the most challenging was to segment the data of a large bookkeeping system which resulted in tens of thousands list partitions and list sub-partitions. Partition and sub-partition management, index strategy, statistics gathering and queries execution plan stability are important factors when choosing an appropriate for the use case data management model. The gained experience with all of those will be shared with the audience.

  16. The importance of applying an appropriate data partitioning

    CERN Document Server

    Dimitrov, Gancho; The ATLAS collaboration

    2015-01-01

    In this presentation are described specific technical solutions put in place in various database applications of the ATLAS experiment at LHC where we make use of several partitioning techniques available in Oracle 11g. With the broadly used range partitioning and its option of automatic interval partitioning we add our own logic in PLSQL procedures and scheduler jobs to sustain data sliding windows in order to enforce various data retention policies. We also make use of the new Oracle 11g reference partitioning in the ATLAS Nightly Build System to achieve uniform data segmentation. However the most challenging was to segment the data of the new ATLAS Distributed Data Management system, which resulted in tens of thousands list type partitions and sub-partitions. Partition and sub-partition management, index strategy, statistics gathering and queries execution plan stability are important factors when choosing an appropriate physical model for the application data management. The so-far accumulated knowledge wi...

  17. Ligand-promoted protein folding by biased kinetic partitioning.

    Science.gov (United States)

    Hingorani, Karan S; Metcalf, Matthew C; Deming, Derrick T; Garman, Scott C; Powers, Evan T; Gierasch, Lila M

    2017-04-01

    Protein folding in cells occurs in the presence of high concentrations of endogenous binding partners, and exogenous binding partners have been exploited as pharmacological chaperones. A combined mathematical modeling and experimental approach shows that a ligand improves the folding of a destabilized protein by biasing the kinetic partitioning between folding and alternative fates (aggregation or degradation). Computationally predicted inhibition of test protein aggregation and degradation as a function of ligand concentration are validated by experiments in two disparate cellular systems.

  18. Evolution and development of model membranes for physicochemical and functional studies of the membrane lateral heterogeneity.

    Science.gov (United States)

    Morigaki, Kenichi; Tanimoto, Yasushi

    2018-03-14

    One of the main questions in the membrane biology is the functional roles of membrane heterogeneity and molecular localization. Although segregation and local enrichment of protein/lipid components (rafts) have been extensively studied, the presence and functions of such membrane domains still remain elusive. Along with biochemical, cell observation, and simulation studies, model membranes are emerging as an important tool for understanding the biological membrane, providing quantitative information on the physicochemical properties of membrane proteins and lipids. Segregation of fluid lipid bilayer into liquid-ordered (Lo) and liquid-disordered (Ld) phases has been studied as a simplified model of raft in model membranes, including giant unilamellar vesicles (GUVs), giant plasma membrane vesicles (GPMVs), and supported lipid bilayers (SLB). Partition coefficients of membrane proteins between Lo and Ld phases were measured to gauze their affinities to lipid rafts (raftophilicity). One important development in model membrane is patterned SLB based on the microfabrication technology. Patterned Lo/Ld phases have been applied to study the partition and function of membrane-bound molecules. Quantitative information of individual molecular species attained by model membranes is critical for elucidating the molecular functions in the complex web of molecular interactions. The present review gives a short account of the model membranes developed for studying the lateral heterogeneity, especially focusing on patterned model membranes on solid substrates. Copyright © 2018 Elsevier B.V. All rights reserved.

  19. Construction of Scaling Partitions of Unity

    Directory of Open Access Journals (Sweden)

    Ole Christensen

    2017-11-01

    Full Text Available Partitions of unity in ℝd formed by (matrix scales of a fixed function appear in many parts of harmonic analysis, e.g., wavelet analysis and the analysis of Triebel-Lizorkin spaces. We give a simple characterization of the functions and matrices yielding such a partition of unity. For expanding matrices, the characterization leads to easy ways of constructing appropriate functions with attractive properties like high regularity and small support. We also discuss a class of integral transforms that map functions having the partition of unity property to functions with the same property. The one-dimensional version of the transform allows a direct definition of a class of nonuniform splines with properties that are parallel to those of the classical B-splines. The results are illustrated with the construction of dual pairs of wavelet frames.

  20. PAQ: Partition Analysis of Quasispecies.

    Science.gov (United States)

    Baccam, P; Thompson, R J; Fedrigo, O; Carpenter, S; Cornette, J L

    2001-01-01

    The complexities of genetic data may not be accurately described by any single analytical tool. Phylogenetic analysis is often used to study the genetic relationship among different sequences. Evolutionary models and assumptions are invoked to reconstruct trees that describe the phylogenetic relationship among sequences. Genetic databases are rapidly accumulating large amounts of sequences. Newly acquired sequences, which have not yet been characterized, may require preliminary genetic exploration in order to build models describing the evolutionary relationship among sequences. There are clustering techniques that rely less on models of evolution, and thus may provide nice exploratory tools for identifying genetic similarities. Some of the more commonly used clustering methods perform better when data can be grouped into mutually exclusive groups. Genetic data from viral quasispecies, which consist of closely related variants that differ by small changes, however, may best be partitioned by overlapping groups. We have developed an intuitive exploratory program, Partition Analysis of Quasispecies (PAQ), which utilizes a non-hierarchical technique to partition sequences that are genetically similar. PAQ was used to analyze a data set of human immunodeficiency virus type 1 (HIV-1) envelope sequences isolated from different regions of the brain and another data set consisting of the equine infectious anemia virus (EIAV) regulatory gene rev. Analysis of the HIV-1 data set by PAQ was consistent with phylogenetic analysis of the same data, and the EIAV rev variants were partitioned into two overlapping groups. PAQ provides an additional tool which can be used to glean information from genetic data and can be used in conjunction with other tools to study genetic similarities and genetic evolution of viral quasispecies.

  1. Function Model for Community Health Service Information

    Science.gov (United States)

    Yang, Peng; Pan, Feng; Liu, Danhong; Xu, Yongyong

    In order to construct a function model of community health service (CHS) information for development of CHS information management system, Integration Definition for Function Modeling (IDEF0), an IEEE standard which is extended from Structured Analysis and Design(SADT) and now is a widely used function modeling method, was used to classifying its information from top to bottom. The contents of every level of the model were described and coded. Then function model for CHS information, which includes 4 super-classes, 15 classes and 28 sub-classed of business function, 43 business processes and 168 business activities, was established. This model can facilitate information management system development and workflow refinement.

  2. Confocal Raman Microscopy for in Situ Measurement of Octanol-Water Partitioning within the Pores of Individual C18-Functionalized Chromatographic Particles.

    Science.gov (United States)

    Kitt, Jay P; Harris, Joel M

    2015-05-19

    Octanol-water partitioning is one of the most widely used predictors of hydrophobicity and lipophilicity. Traditional methods for measuring octanol-water partition coefficients (K(ow)), including shake-flasks and generator columns, require hours for equilibration and milliliter quantities of sample solution. These challenges have led to development of smaller-scale methods for measuring K(ow). Recent advances in microfluidics have produced faster and smaller-volume approaches to measuring K(ow). As flowing volumes are reduced, however, separation of water and octanol prior to measurement and detection in small volumes of octanol phase are especially challenging. In this work, we reduce the receiver volume of octanol-water partitioning measurements from current practice by six-orders-of-magnitude, to the femtoliter scale, by using a single octanol-filled reversed-phase, octadecylsilane-modified (C18-silica) chromatographic particle as a collector. The fluid-handling challenges of working in such small volumes are circumvented by eliminating postequilibration phase separation. Partitioning is measured in situ within the pore-confined octanol phase using confocal Raman microscopy, which is capable of detecting and quantifying a wide variety of molecular structures. Equilibration times are fast (less than a minute) because molecular diffusion is efficient over distance scales of micrometers. The demonstrated amount of analyte needed to carry out a measurement is very small, less than 50 fmol, which would be a useful attribute for drug screening applications or testing of small quantities of environmentally sensitive compounds. The method is tested for measurements of pH-dependent octanol-water partitioning of naphthoic acid, and the results are compared to both traditional shake-flask measurements and sorption onto C18-modified silica without octanol present within the pores.

  3. Functional State Modelling of Saccharomyces cerevisiae Cultivations

    Directory of Open Access Journals (Sweden)

    Iasen Hristozov

    2004-10-01

    Full Text Available The implementation of functional state approach for modelling of yeast cultivation is considered in this paper. This concept helps in monitoring and control of complex processes such as bioprocesses. Using of functional state modelling approach for fermentation processes aims to overcome the main disadvantage of using global process model, namely complex model structure and big number of model parameters. The main advantage of functional state modelling is that the parameters of each local model can be separately estimated from other local models parameters. The results achieved from batch, as well as from fed-batch, cultivations are presented.

  4. Structure functions from chiral soliton models

    International Nuclear Information System (INIS)

    Weigel, H.; Reinhardt, H.; Gamberg, L.

    1997-01-01

    We study nucleon structure functions within the bosonized Nambu-Jona-Lasinio (NJL) model where the nucleon emerges as a chiral soliton. We discuss the model predictions on the Gottfried sum rule for electron-nucleon scattering. A comparison with a low-scale parametrization shows that the model reproduces the gross features of the empirical structure functions. We also compute the leading twist contributions of the polarized structure functions g 1 and g 2 in this model. We compare the model predictions on these structure functions with data from the E143 experiment by GLAP evolving them from the scale characteristic for the NJL-model to the scale of the data

  5. Oligomeric models for estimation of polydimethylsiloxane-water partition ratios with COSMO-RS theory: impact of the combinatorial term on absolute error.

    Science.gov (United States)

    Parnis, J Mark; Mackay, Donald

    2017-03-22

    A series of 12 oligomeric models for polydimethylsiloxane (PDMS) were evaluated for their effectiveness in estimating the PDMS-water partition ratio, K PDMS-w . Models ranging in size and complexity from the -Si(CH 3 ) 2 -O- model previously published by Goss in 2011 to octadeca-methyloctasiloxane (CH 3 -(Si(CH 3 ) 2 -O-) 8 CH 3 ) were assessed based on their RMS error with 253 experimental measurements of log K PDMS-w from six published works. The lowest RMS error for log K PDMS-w (0.40 in log K) was obtained with the cyclic oligomer, decamethyl-cyclo-penta-siloxane (D5), (-Si(CH 3 ) 2 -O-) 5 , with the mixing-entropy associated combinatorial term included in the chemical potential calculation. The presence or absence of terminal methyl groups on linear oligomer models is shown to have significant impact only for oligomers containing 1 or 2 -Si(CH 3 ) 2 -O- units. Removal of the combinatorial term resulted in a significant increase in the RMS error for most models, with the smallest increase associated with the largest oligomer studied. The importance of inclusion of the combinatorial term in the chemical potential for liquid oligomer models is discussed.

  6. Value function in economic growth model

    Science.gov (United States)

    Bagno, Alexander; Tarasyev, Alexandr A.; Tarasyev, Alexander M.

    2017-11-01

    Properties of the value function are examined in an infinite horizon optimal control problem with an unlimited integrand index appearing in the quality functional with a discount factor. Optimal control problems of such type describe solutions in models of economic growth. Necessary and sufficient conditions are derived to ensure that the value function satisfies the infinitesimal stability properties. It is proved that value function coincides with the minimax solution of the Hamilton-Jacobi equation. Description of the growth asymptotic behavior for the value function is provided for the logarithmic, power and exponential quality functionals and an example is given to illustrate construction of the value function in economic growth models.

  7. Estimating fate and transport of multiple contaminants in the vadose zone using a multi-layered soil column and three-phase equilibrium partitioning model

    International Nuclear Information System (INIS)

    Rucker, Gregory G.

    2007-01-01

    Soils at waste sites must be evaluated for the potential of residual soil contamination to leach and migrate to the groundwater beneath the disposal area. If migration to the aquifer occurs, contaminants can travel vast distances and pollute drinking water wells, thus exposing human receptors to harmful levels of toxins and carcinogens. To prevent groundwater contamination, a contaminant fate and transport analysis is necessary to assess the migration potential of residual soil contaminants. This type of migration analysis is usually performed using a vadose zone model to account for complex geotechnical and chemical variables including: decay processes, infiltration rate, soil properties, vadose zone thickness, and chemical behavior. The distinct advantage of using a complex model is that less restrictive, but still protective, soil threshold levels may be determined avoiding the unnecessary and costly remediation of marginally contaminated soils. However, the disadvantage of such modeling is the additional cost for data collection and labor required to apply these models. In order to allay these higher costs and to achieve a less restrictive but still protective clean-up level, a multiple contaminant and multi layered soil column equilibrium partitioning model was developed which is faster, simpler and less expensive to use. (authors)

  8. QSPR models of n-octanol/water partition coefficients and aqueous solubility of halogenated methyl-phenyl ethers by DFT method.

    Science.gov (United States)

    Zeng, Xiao-Lan; Wang, Hong-Jun; Wang, Yan

    2012-02-01

    The possible molecular geometries of 134 halogenated methyl-phenyl ethers were optimized at B3LYP/6-31G(*) level with Gaussian 98 program. The calculated structural parameters were taken as theoretical descriptors to establish two new novel QSPR models for predicting aqueous solubility (-lgS(w,l)) and n-octanol/water partition coefficient (lgK(ow)) of halogenated methyl-phenyl ethers. The two models achieved in this work both contain three variables: energy of the lowest unoccupied molecular orbital (E(LUMO)), most positive atomic partial charge in molecule (q(+)), and quadrupole moment (Q(yy) or Q(zz)), of which R values are 0.992 and 0.970 respectively, their standard errors of estimate in modeling (SD) are 0.132 and 0.178, respectively. The results of leave-one-out (LOO) cross-validation for training set and validation with external test sets both show that the models obtained exhibited optimum stability and good predictive power. We suggests that two QSPR models derived here can be used to predict S(w,l) and K(ow) accurately for non-tested halogenated methyl-phenyl ethers congeners. Copyright © 2011 Elsevier Ltd. All rights reserved.

  9. Determination of the n-octanol/water partition coefficients of weakly ionizable basic compounds by reversed-phase high-performance liquid chromatography with neutral model compounds.

    Science.gov (United States)

    Liang, Chao; Han, Shu-ying; Qiao, Jun-qin; Lian, Hong-zhen; Ge, Xin

    2014-11-01

    A strategy to utilize neutral model compounds for lipophilicity measurement of ionizable basic compounds by reversed-phase high-performance liquid chromatography is proposed in this paper. The applicability of the novel protocol was justified by theoretical derivation. Meanwhile, the linear relationships between logarithm of apparent n-octanol/water partition coefficients (logKow '') and logarithm of retention factors corresponding to the 100% aqueous fraction of mobile phase (logkw ) were established for a basic training set, a neutral training set and a mixed training set of these two. As proved in theory, the good linearity and external validation results indicated that the logKow ''-logkw relationships obtained from a neutral model training set were always reliable regardless of mobile phase pH. Afterwards, the above relationships were adopted to determine the logKow of harmaline, a weakly dissociable alkaloid. As far as we know, this is the first report on experimental logKow data for harmaline (logKow = 2.28 ± 0.08). Introducing neutral compounds into a basic model training set or using neutral model compounds alone is recommended to measure the lipophilicity of weakly ionizable basic compounds especially those with high hydrophobicity for the advantages of more suitable model compound choices and convenient mobile phase pH control. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. W-infinity ward identities and correlation functions in the c = 1 matrix model

    International Nuclear Information System (INIS)

    Das, S.R.; Dhar, A.; Mandal, G.; Wadia, S.R.

    1992-01-01

    In this paper, the authors explore consequences of W-infinity symmetry in the fermionic field theory of the c = 1 matrix model. The authors derive exact Ward identities relating correlation functions of the bilocal operator. These identities can be expressed as equations satisfied by the effective action of a three-dimensional theory and contain non-perturbative information about the model. The authors use thee identities to calculate the two-point function of the bilocal operator in the double scaling limit. The authors extract the operator whose two-point correlator has a single pole at an (imaginary) integer value of the energy. The authors then rewrite the W-infinity charges in terms of operators in the matrix model and use this to derive constraints satisfied by the partition function of the matrix model with a general time dependent potential

  11. Complex curve of the two-matrix model and its tau-function

    International Nuclear Information System (INIS)

    Kazakov, Vladimir A; Marshakov, Andrei

    2003-01-01

    We study the Hermitian and normal two-matrix models in planar approximation for an arbitrary number of eigenvalue supports. Its planar graph interpretation is given. The study reveals a general structure of the underlying analytic complex curve, different from the hyperelliptic curve of the one-matrix model. The matrix model quantities are expressed through the periods of meromorphic generating differential on this curve and the partition function of the multiple support solution, as a function of filling numbers and coefficients of the matrix potential, is shown to be a quasiclassical tau-function. The relation to N = 1 supersymmetric Yang-Mills theories is discussed. A general class of solvable multi-matrix models with tree-like interactions is considered

  12. Hashing for Statistics over K-Partitions

    DEFF Research Database (Denmark)

    Dahlgaard, Soren; Knudsen, Mathias Baek Tejs; Rotenberg, Eva

    2015-01-01

    In this paper we analyze a hash function for k-partitioning a set into bins, obtaining strong concentration bounds for standard algorithms combining statistics from each bin. This generic method was originally introduced by Flajolet and Martin [FOCS'83] in order to save a factor Ω(k) of time per...... concentration bounds on the most popular applications of k-partitioning similar to those we would get using a truly random hash function. The analysis is very involved and implies several new results of independent interest for both simple and double tabulation, e.g. A simple and efficient construction...

  13. Root structural and functional dynamics in terrestrial biosphere models--evaluation and recommendations.

    Science.gov (United States)

    Warren, Jeffrey M; Hanson, Paul J; Iversen, Colleen M; Kumar, Jitendra; Walker, Anthony P; Wullschleger, Stan D

    2015-01-01

    There is wide breadth of root function within ecosystems that should be considered when modeling the terrestrial biosphere. Root structure and function are closely associated with control of plant water and nutrient uptake from the soil, plant carbon (C) assimilation, partitioning and release to the soils, and control of biogeochemical cycles through interactions within the rhizosphere. Root function is extremely dynamic and dependent on internal plant signals, root traits and morphology, and the physical, chemical and biotic soil environment. While plant roots have significant structural and functional plasticity to changing environmental conditions, their dynamics are noticeably absent from the land component of process-based Earth system models used to simulate global biogeochemical cycling. Their dynamic representation in large-scale models should improve model veracity. Here, we describe current root inclusion in models across scales, ranging from mechanistic processes of single roots to parameterized root processes operating at the landscape scale. With this foundation we discuss how existing and future root functional knowledge, new data compilation efforts, and novel modeling platforms can be leveraged to enhance root functionality in large-scale terrestrial biosphere models by improving parameterization within models, and introducing new components such as dynamic root distribution and root functional traits linked to resource extraction. No claim to original US Government works. New Phytologist © 2014 New Phytologist Trust.

  14. Empirical Bayes Approaches to Multivariate Fuzzy Partitions.

    Science.gov (United States)

    Woodbury, Max A.; Manton, Kenneth G.

    1991-01-01

    An empirical Bayes-maximum likelihood estimation procedure is presented for the application of fuzzy partition models in describing high dimensional discrete response data. The model describes individuals in terms of partial membership in multiple latent categories that represent bounded discrete spaces. (SLD)

  15. Load function modelling for light impact

    International Nuclear Information System (INIS)

    Klingmueller, O.

    1982-01-01

    For Pile Integrity Testing light weight drop hammers are used to induce stress waves. In the computational analysis of one-dimensional wave propagation a load function has to be used. Several mechanical models and corresponding load functions are discussed. It is shown that a bell-shaped function which does not correspond to a mechanical model is in best accordance with test results and does not lead to numerical disturbances in the computational results. (orig.) [de

  16. Computer control system synthesis for nuclear power plants through simplification and partitioning of the complex system model into a set of simple subsystems

    International Nuclear Information System (INIS)

    Zobor, E.

    1978-12-01

    The approach chosen is based on the hierarchical control systems theory, however, the fundamentals of other approaches such as the systems simplification and systems partitioning are briefly summarized for introducing the problems associated with the control of large scale systems. The concept of a hierarchical control system acting in broad variety of operating conditions is developed and some practical extensions to the hierarchical control system approach e.g. subsystems measured and controlled with different rates, control of the partial state vector, coordination for autoregressive models etc. are given. Throughout the work the WWR-SM research reactor of the Institute has been taken as a guiding example and simple methods for the identification of the model parameters from a reactor start-up are discussed. Using the PROHYS digital simulation program elaborated in the course of the present research, detailed simulation studies were carried out for investigating the performance of a control system based on the concept and algorithms developed. In order to give a real application evidence, a short description is finally given about the closed-loop computer control system installed - in the framework of a project supported by the Hungarian State Office for Technical Development - at the WWR-SM research reactor where the results obtained in the present IAEA Research Contract were successfully applied and furnished the expected high performance

  17. A Memristor Model with Piecewise Window Function

    Directory of Open Access Journals (Sweden)

    J. Yu

    2013-12-01

    Full Text Available In this paper, we present a memristor model with piecewise window function, which is continuously differentiable and consists of three nonlinear pieces. By introducing two parameters, the shape of this window function can be flexibly adjusted to model different types of memristors. Using this model, one can easily obtain an expression of memristance depending on charge, from which the numerical value of memristance can be readily calculated for any given charge, and eliminate the error occurring in the simulation of some existing window function models.

  18. Application of the Monte Carlo method for building up models for octanol-water partition coefficient of platinum complexes

    Science.gov (United States)

    Toropov, Andrey A.; Toropova, Alla P.

    2018-06-01

    Predictive model of logP for Pt(II) and Pt(IV) complexes built up with the Monte Carlo method using the CORAL software has been validated with six different splits into the training and validation sets. The improving of the predictive potential of models for six different splits has been obtained using so-called index of ideality of correlation. The suggested models give possibility to extract molecular features, which cause the increase or vice versa decrease of the logP.

  19. Model wave functions for the deuteron

    International Nuclear Information System (INIS)

    Certov, A.; Mathelitsch, L.; Moravcsik, M.J.

    1987-01-01

    Model wave functions are constructed for the deuteron to facilitate the unambiguous exploration of dependencies on the percentage D state and on the small-, medium-, and large-distance parts of the deuteron wave function. The wave functions are constrained by those deuteron properties which are accurately known experimentally, and are in an analytic form which is easily integrable in expressions usually encountered in the use of such wave functions

  20. Partitional clustering algorithms

    CERN Document Server

    2015-01-01

    This book summarizes the state-of-the-art in partitional clustering. Clustering, the unsupervised classification of patterns into groups, is one of the most important tasks in exploratory data analysis. Primary goals of clustering include gaining insight into, classifying, and compressing data. Clustering has a long and rich history that spans a variety of scientific disciplines including anthropology, biology, medicine, psychology, statistics, mathematics, engineering, and computer science. As a result, numerous clustering algorithms have been proposed since the early 1950s. Among these algorithms, partitional (nonhierarchical) ones have found many applications, especially in engineering and computer science. This book provides coverage of consensus clustering, constrained clustering, large scale and/or high dimensional clustering, cluster validity, cluster visualization, and applications of clustering. Examines clustering as it applies to large and/or high-dimensional data sets commonly encountered in reali...

  1. Why partition nuclear waste

    International Nuclear Information System (INIS)

    Cohen, J.J.

    1976-01-01

    A cursory review of literature dealing with various separatory processes involved in the handling of high-level liquid nuclear waste discloses that, for the most part, discussion centers on separation procedures and methodology for handling the resulting fractions, particularly the actinide wastes. There appears to be relatively little discussion on the incentives or motivations for performing these separations in the first place. Discussion is often limited to the assumption that we must separate out ''long-term'' from our ''short-term'' management problems. This paper deals with that assumption and devotes primary attention to the question of ''why partition waste'' rather than the question of ''how to partition waste'' or ''what to do with the segregated waste.''

  2. Geochemical modeling of reactions and partitioning of trace metals and radionuclides during titration of contaminated acidic sediments.

    Science.gov (United States)

    Zhang, Fan; Luo, Wensui; Parker, Jack C; Spalding, Brian P; Brooks, Scott C; Watson, David B; Jardine, Philip M; Gu, Baohua

    2008-11-01

    Many geochemical reactions that control aqueous metal concentrations are directly affected by solution pH. However, changes in solution pH are strongly buffered by various aqueous phase and solid phase precipitation/dissolution and adsorption/desorption reactions. The ability to predict acid-base behavior of the soil-solution system is thus critical to predict metal transport under variable pH conditions. This studywas undertaken to develop a practical generic geochemical modeling approach to predict aqueous and solid phase concentrations of metals and anions during conditions of acid or base additions. The method of Spalding and Spalding was utilized to model soil buffer capacity and pH-dependent cation exchange capacity by treating aquifer solids as a polyprotic acid. To simulate the dynamic and pH-dependent anion exchange capacity, the aquifer solids were simultaneously treated as a polyprotic base controlled by mineral precipitation/ dissolution reactions. An equilibrium reaction model that describes aqueous complexation, precipitation, sorption and soil buffering with pH-dependent ion exchange was developed using HydroGeoChem v5.0 (HGC5). Comparison of model results with experimental titration data of pH, Al, Ca, Mg, Sr, Mn, Ni, Co, and SO4(2-) for contaminated sediments indicated close agreement suggesting that the model could potentially be used to predictthe acid-base behavior of the sediment-solution system under variable pH conditions.

  3. Prediction of Partition Coefficients of Organic Compounds for SPME/PDMS

    Directory of Open Access Journals (Sweden)

    Liao Hsuan-Yu

    2016-01-01

    Full Text Available The partition coefficients of 51 organic compounds between SPME/PDMS and gas were compiled from the literature sources in this study. The effect of physicochemical properties and descriptors on the partitioning process of partition coefficients was explicated by the correlation analysis. The PDMS-gas partition coefficients were well correlated to the molecular weight of organic compounds (r = 0.832, p < 0.05. An empirical model, consisting of the molecular weight and the polarizability, was developed to appropriately predict the partition coefficients of organic compounds. The empirical model for estimating the PDMS-gas partition coefficient will contribute to the practical applications of the SPME technique.

  4. Partitioning planning studies: Preliminary evaluation of metal and radionuclide partitioning the high-temperature thermal treatment systems

    International Nuclear Information System (INIS)

    Liekhus, K.; Grandy, J.; Chambers, A.

    1997-03-01

    A preliminary study of toxic metals and radionuclide partitioning during high-temperature processing of mixed waste has been conducted during Fiscal Year 1996 within the Environmental Management Technology Evaluation Project. The study included: (a) identification of relevant partitioning mechanisms that cause feed material to be distributed between the solid, molten, and gas phases within a thermal treatment system; (b) evaluations of existing test data from applicable demonstration test programs as a means to identify and understand elemental and species partitioning; and, (c) evaluation of theoretical or empirical partitioning models for use in predicting elemental or species partitioning in a thermal treatment system. This preliminary study was conducted to identify the need for and the viability of developing the tools capable of describing and predicting toxic metals and radionuclide partitioning in the most applicable mixed waste thermal treatment processes. This document presents the results and recommendations resulting from this study that may serve as an impetus for developing and implementing these predictive tools

  5. Partitioning planning studies: Preliminary evaluation of metal and radionuclide partitioning the high-temperature thermal treatment systems

    Energy Technology Data Exchange (ETDEWEB)

    Liekhus, K.; Grandy, J.; Chambers, A. [and others

    1997-03-01

    A preliminary study of toxic metals and radionuclide partitioning during high-temperature processing of mixed waste has been conducted during Fiscal Year 1996 within the Environmental Management Technology Evaluation Project. The study included: (a) identification of relevant partitioning mechanisms that cause feed material to be distributed between the solid, molten, and gas phases within a thermal treatment system; (b) evaluations of existing test data from applicable demonstration test programs as a means to identify and understand elemental and species partitioning; and, (c) evaluation of theoretical or empirical partitioning models for use in predicting elemental or species partitioning in a thermal treatment system. This preliminary study was conducted to identify the need for and the viability of developing the tools capable of describing and predicting toxic metals and radionuclide partitioning in the most applicable mixed waste thermal treatment processes. This document presents the results and recommendations resulting from this study that may serve as an impetus for developing and implementing these predictive tools.

  6. The development of a model for the prediction of feed intake and energy partitioning in dairy cows

    NARCIS (Netherlands)

    Zom, R.L.G.

    2014-01-01

    Balancing the supply of on-farm grown forages with the production targets of the dairy herd is a crucial aspect of the management of a dairy farm. Models which provides a rapid insight of the impact of the ration, feed quality and feeding management on feed intake and performance of dairy cows

  7. A simulation model for the prediction of tissue:plasma partition coefficients for drug residues in natural casings.

    NARCIS (Netherlands)

    Haritova, A.M.; Fink-Gremmels, J.

    2010-01-01

    Tissue residues arise from the exposure of animals to undesirable substances in animal feed materials and drinking water and to the therapeutic or zootechnical use of veterinary medicinal products. In the framework of this study, an advanced toxicokinetic model was developed to predict the

  8. Remarkable phylogenetic resolution of the most complex clade of Cyprinidae (Teleostei: Cypriniformes): a proof of concept of homology assessment and partitioning sequence data integrated with mixed model Bayesian analyses.

    Science.gov (United States)

    Tao, Wenjing; Mayden, Richard L; He, Shunping

    2013-03-01

    Despite many efforts to resolve evolutionary relationships among major clades of Cyprinidae, some nodes have been especially problematic and remain unresolved. In this study, we employ four nuclear gene fragments (3.3kb) to infer interrelationships of the Cyprinidae. A reconstruction of the phylogenetic relationships within the family using maximum parsimony, maximum likelihood, and Bayesian analyses is presented. Among the taxa within the monophyletic Cyprinidae, Rasborinae is the basal-most lineage; Cyprinine is sister to Leuciscine. The monophyly for the subfamilies Gobioninae, Leuciscinae and Acheilognathinae were resolved with high nodal support. Although our results do not completely resolve relationships within Cyprinidae, this study presents novel and significant findings having major implications for a highly diverse and enigmatic clade of East-Asian cyprinids. Within this monophyletic group five closely-related subgroups are identified. Tinca tinca, one of the most phylogenetically enigmatic genera in the family, is strongly supported as having evolutionary affinities with this East-Asian clade; an established yet remarkable association because of the natural variation in phenotypes and generalized ecological niches occupied by these taxa. Our results clearly argue that the choice of partitioning strategies has significant impacts on the phylogenetic reconstructions, especially when multiple genes are being considered. The most highly partitioned model (partitioned by codon positions within genes) extracts the strongest phylogenetic signals and performs better than any other partitioning schemes supported by the strongest 2Δln Bayes factor. Future studies should include higher levels of taxon sampling and partitioned, model-based analyses. Copyright © 2012 Elsevier Inc. All rights reserved.

  9. Generalized neurofuzzy network modeling algorithms using Bézier-Bernstein polynomial functions and additive decomposition.

    Science.gov (United States)

    Hong, X; Harris, C J

    2000-01-01

    This paper introduces a new neurofuzzy model construction algorithm for nonlinear dynamic systems based upon basis functions that are Bézier-Bernstein polynomial functions. This paper is generalized in that it copes with n-dimensional inputs by utilising an additive decomposition construction to overcome the curse of dimensionality associated with high n. This new construction algorithm also introduces univariate Bézier-Bernstein polynomial functions for the completeness of the generalized procedure. Like the B-spline expansion based neurofuzzy systems, Bézier-Bernstein polynomial function based neurofuzzy networks hold desirable properties such as nonnegativity of the basis functions, unity of support, and interpretability of basis function as fuzzy membership functions, moreover with the additional advantages of structural parsimony and Delaunay input space partition, essentially overcoming the curse of dimensionality associated with conventional fuzzy and RBF networks. This new modeling network is based on additive decomposition approach together with two separate basis function formation approaches for both univariate and bivariate Bézier-Bernstein polynomial functions used in model construction. The overall network weights are then learnt using conventional least squares methods. Numerical examples are included to demonstrate the effectiveness of this new data based modeling approach.

  10. Periodic Schur process, cylindric partitions and N=2* theory

    International Nuclear Information System (INIS)

    Iqbal, Amer; Kozcaz, Can; Sohail, Tanweer

    2011-01-01

    Type IIA string theory compactified on an elliptic CY3-fold gives rise to N=2U(1) gauge theory with an adjoint hypermultiplet. We study the refined open and closed topological string partition functions of this geometry using the refined topological vertex. We show that these partition functions, open and closed, are examples of periodic Schur process and are related to the generating function of the cylindric partitions if the Kaehler parameters are quantized in units of string coupling. The level-rank duality appears as the exchange symmetry of the two Kaehler parameters of the elliptic CY3-fold.

  11. Distribution of Spiked Drugs between Milk Fat, Skim Milk, Whey, Curd, and Milk Protein Fractions: Expansion of Partitioning Models.

    Science.gov (United States)

    Lupton, Sara J; Shappell, Nancy W; Shelver, Weilin L; Hakk, Heldur

    2018-01-10

    The distributions of eight drugs (acetaminophen, acetylsalicylic acid/salicylic acid, ciprofloxacin, clarithromycin, flunixin, phenylbutazone, praziquantel, and thiamphenicol) were determined in milk products (skim milk, milk fat, curd, whey, and whey protein) and used to expand a previous model (from 7 drugs to 15 drugs) for predicting drug distribution. Phenylbutazone and praziquantel were found to distribute with the lipid and curd phases (≥50%). Flunixin distribution was lower but similar in direction (12% in milk fat, 39% in curd). Acetaminophen, ciprofloxacin, and praziquantel preferentially associated with casein proteins, whereas thiamphenicol and clarithromycin associated preferentially to whey proteins. Regression analyses for log [milk fat]/[skim milk] and log [curd]/[whey] had r 2 values of 0.63 and 0.67, respectively, with p of <0.001 for 15 drugs (7 previously tested and 8 currently tested). The robustness of the distribution model was enhanced by doubling the number of drugs originally tested.

  12. Generalized linear solvation energy model applied to solute partition coefficients in ionic liquid-supercritical carbon dioxide systems

    Czech Academy of Sciences Publication Activity Database

    Planeta, Josef; Karásek, Pavel; Hohnová, Barbora; Šťavíková, Lenka; Roth, Michal

    2012-01-01

    Roč. 1250, SI (2012), s. 54-62 ISSN 0021-9673 R&D Projects: GA ČR(CZ) GAP206/11/0138; GA ČR(CZ) GAP106/12/0522; GA ČR(CZ) GPP503/11/P523 Institutional research plan: CEZ:AV0Z40310501 Keywords : ionic liquid * supercritical carbon dioxide * solvation energy model Subject RIV: BJ - Thermodynamics Impact factor: 4.612, year: 2012

  13. Ocean surface partitioning strategies using ocean colour remote Sensing: A review

    Science.gov (United States)

    Krug, Lilian Anne; Platt, Trevor; Sathyendranath, Shubha; Barbosa, Ana B.

    2017-06-01

    The ocean surface is organized into regions with distinct properties reflecting the complexity of interactions between environmental forcing and biological responses. The delineation of these functional units, each with unique, homogeneous properties and underlying ecosystem structure and dynamics, can be defined as ocean surface partitioning. The main purposes and applications of ocean partitioning include the evaluation of particular marine environments; generation of more accurate satellite ocean colour products; assimilation of data into biogeochemical and climate models; and establishment of ecosystem-based management practices. This paper reviews the diverse approaches implemented for ocean surface partition into functional units, using ocean colour remote sensing (OCRS) data, including their purposes, criteria, methods and scales. OCRS offers a synoptic, high spatial-temporal resolution, multi-decadal coverage of bio-optical properties, relevant to the applications and value of ocean surface partitioning. In combination with other biotic and/or abiotic data, OCRS-derived data (e.g., chlorophyll-a, optical properties) provide a broad and varied source of information that can be analysed using different delineation methods derived from subjective, expert-based to unsupervised learning approaches (e.g., cluster, fuzzy and empirical orthogonal function analyses). Partition schemes are applied at global to mesoscale spatial coverage, with static (time-invariant) or dynamic (time-varying) representations. A case study, the highly heterogeneous area off SW Iberian Peninsula (NE Atlantic), illustrates how the selection of spatial coverage and temporal representation affects the discrimination of distinct environmental drivers of phytoplankton variability. Advances in operational oceanography and in the subject area of satellite ocean colour, including development of new sensors, algorithms and products, are among the potential benefits from extended use, scope and

  14. VLSI PARTITIONING ALGORITHM WITH ADAPTIVE CONTROL PARAMETER

    Directory of Open Access Journals (Sweden)

    P. N. Filippenko

    2013-03-01

    Full Text Available The article deals with the problem of very large-scale integration circuit partitioning. A graph is selected as a mathematical model describing integrated circuit. Modification of ant colony optimization algorithm is presented, which is used to solve graph partitioning problem. Ant colony optimization algorithm is an optimization method based on the principles of self-organization and other useful features of the ants’ behavior. The proposed search system is based on ant colony optimization algorithm with the improved method of the initial distribution and dynamic adjustment of the control search parameters. The experimental results and performance comparison show that the proposed method of very large-scale integration circuit partitioning provides the better search performance over other well known algorithms.

  15. Partitioning the aggregation of parasites on hosts into intrinsic and extrinsic components via an extended Poisson-gamma mixture model.

    Directory of Open Access Journals (Sweden)

    Justin M Calabrese

    Full Text Available It is well known that parasites are often highly aggregated on their hosts such that relatively few individuals host the large majority of parasites. When the parasites are vectors of infectious disease, a key consequence of this aggregation can be increased disease transmission rates. The cause of this aggregation, however, is much less clear, especially for parasites such as arthropod vectors, which generally spend only a short time on their hosts. Regression-based analyses of ticks on various hosts have focused almost exclusively on identifying the intrinsic host characteristics associated with large burdens, but these efforts have had mixed results; most host traits examined have some small influence, but none are key. An alternative approach, the Poisson-gamma mixture distribution, has often been used to describe aggregated parasite distributions in a range of host/macroparasite systems, but lacks a clear mechanistic basis. Here, we extend this framework by linking it to a general model of parasite accumulation. Then, focusing on blacklegged ticks (Ixodes scapularis on mice (Peromyscus leucopus, we fit the extended model to the best currently available larval tick burden datasets via hierarchical Bayesian methods, and use it to explore the relative contributions of intrinsic and extrinsic factors on observed tick burdens. Our results suggest that simple bad luck-inhabiting a home range with high vector density-may play a much larger role in determining parasite burdens than is currently appreciated.

  16. The total position-spread tensor: Spin partition

    International Nuclear Information System (INIS)

    El Khatib, Muammar; Evangelisti, Stefano; Leininger, Thierry; Brea, Oriana; Fertitta, Edoardo; Bendazzoli, Gian Luigi

    2015-01-01

    The Total Position Spread (TPS) tensor, defined as the second moment cumulant of the position operator, is a key quantity to describe the mobility of electrons in a molecule or an extended system. In the present investigation, the partition of the TPS tensor according to spin variables is derived and discussed. It is shown that, while the spin-summed TPS gives information on charge mobility, the spin-partitioned TPS tensor becomes a powerful tool that provides information about spin fluctuations. The case of the hydrogen molecule is treated, both analytically, by using a 1s Slater-type orbital, and numerically, at Full Configuration Interaction (FCI) level with a V6Z basis set. It is found that, for very large inter-nuclear distances, the partitioned tensor growths quadratically with the distance in some of the low-lying electronic states. This fact is related to the presence of entanglement in the wave function. Non-dimerized open chains described by a model Hubbard Hamiltonian and linear hydrogen chains H n (n ≥ 2), composed of equally spaced atoms, are also studied at FCI level. The hydrogen systems show the presence of marked maxima for the spin-summed TPS (corresponding to a high charge mobility) when the inter-nuclear distance is about 2 bohrs. This fact can be associated to the presence of a Mott transition occurring in this region. The spin-partitioned TPS tensor, on the other hand, has a quadratical growth at long distances, a fact that corresponds to the high spin mobility in a magnetic system

  17. Diagnostics for Linear Models With Functional Responses

    OpenAIRE

    Xu, Hongquan; Shen, Qing

    2005-01-01

    Linear models where the response is a function and the predictors are vectors are useful in analyzing data from designed experiments and other situations with functional observations. Residual analysis and diagnostics are considered for such models. Studentized residuals are defined and their properties are studied. Chi-square quantile-quantile plots are proposed to check the assumption of Gaussian error process and outliers. Jackknife residuals and an associated test are proposed to det...

  18. Functional Modeling of Neural-Glia Interaction

    DEFF Research Database (Denmark)

    Postnov, D.E.; Brazhe, N.A.; Sosnovtseva, Olga

    2012-01-01

    Functional modeling is an approach that focuses on the representation of the qualitative dynamics of the individual components (e.g. cells) of a system and on the structure of the interaction network.......Functional modeling is an approach that focuses on the representation of the qualitative dynamics of the individual components (e.g. cells) of a system and on the structure of the interaction network....

  19. Neural modeling of prefrontal executive function

    Energy Technology Data Exchange (ETDEWEB)

    Levine, D.S. [Univ. of Texas, Arlington, TX (United States)

    1996-12-31

    Brain executive function is based in a distributed system whereby prefrontal cortex is interconnected with other cortical. and subcortical loci. Executive function is divided roughly into three interacting parts: affective guidance of responses; linkage among working memory representations; and forming complex behavioral schemata. Neural network models of each of these parts are reviewed and fit into a preliminary theoretical framework.

  20. A Multivariate Approach to Functional Neuro Modeling

    DEFF Research Database (Denmark)

    Mørch, Niels J.S.

    1998-01-01

    by the application of linear and more flexible, nonlinear microscopic regression models to a real-world dataset. The dependency of model performance, as quantified by generalization error, on model flexibility and training set size is demonstrated, leading to the important realization that no uniformly optimal model......, provides the basis for a generalization theoretical framework relating model performance to model complexity and dataset size. Briefly summarized the major topics discussed in the thesis include: - An introduction of the representation of functional datasets by pairs of neuronal activity patterns...... exists. - Model visualization and interpretation techniques. The simplicity of this task for linear models contrasts the difficulties involved when dealing with nonlinear models. Finally, a visualization technique for nonlinear models is proposed. A single observation emerges from the thesis...

  1. Impact of associating liver partition and portal vein occlusion for staged hepatectomy on tumor growth in a mouse model of liver metastasis.

    Science.gov (United States)

    Kikuchi, Yutaro; Hiroshima, Yukihiko; Matsuo, Kenichi; Murakami, Takashi; Kawaguchi, Daisuke; Kasahara, Kohei; Tanaka, Kuniya

    2018-01-01

    The impact of associating liver partition and portal vein occlusion for staged hepatectomy (ALPPS) on tumor growth activity was investigated. A BALB/c mouse model (male, 8-10 weeks old) of liver metastasis labeled by red fluorescent protein was established. Changes in future liver remnant (FLR) volumes, tumor growth activity, and levels of cytokines and growth factors in liver tissues during the treatment period were compared among the models involving ALPPS, portal vein ligation (PVL), or sham operation. The ratio of the FLR volume to body weight at 24 h after the procedure was greater for ALPPS (4.45 ± 0.12 × 10 -2 ) than for PVL (3.79 ± 0.12 × 10 -2 ; P = 0.003) and sham operation (3.18 ± 0.16 × 10 -2 ; P < 0.001). No differences in tumor progression in the FLR were observed at any time point after the procedures. Within the deportalized liver (DL), although tumor progression was observed during a later period after ALPPS (9 days postoperative) and PVL (12 days postoperative), no acceleration of tumor growth after ALPPS was observed in an early period similar to PVL. ALPPS induces a rapid increase in FLR volume and avoids remnant tumor progression during the early postoperative period. Copyright © 2017 Elsevier Ltd, BASO ~ The Association for Cancer Surgery, and the European Society of Surgical Oncology. All rights reserved.

  2. Study of the influence of the metal partition coefficient on the human health risk evaluation, applied to Figueira (PR) soil region, using C-Soil model

    International Nuclear Information System (INIS)

    Camargo, Iara Maria Carneiro de.

    2005-01-01

    Studies of partition coefficient show that Kp values of metals can vary orders of magnitude according to the soil physical-chemistry characteristics. Therefore, the Kp is a sensible parameter in human health risk assessment model. In general, a default value is adopted by environmental agencies and often it is not represent suitably the soil studied and can cause errors in the risk calculation. The objectives of this work are: evaluate the heavy metals soil contamination around the Figueira coal-fired power plant; determine the metal Kp of As, Cd, Co, Cr, Cu, Mo, Ni, Pb and Zn in soil by the ratio between the metal concentration obtained by concentrate HNO 3 digestion and the metal concentration obtained by extraction with EDTA 0,05 mol L -1 (Kp EDTA ) or Ca(NO 3 ) 2 0,1 mol L -1 (Kp Ca(NO3)2 ); and evaluate the influence of the application of different Kp values in human health risk assessment C-Soil model in risk calculation. The main conclusions of the present study were: As, Cd, Mo, Pb e Zn were the Figueira soil metal contaminants, being As the pollutant of major human health concern; either Kp Ca(NO3)2 or Kp EDTA values could be used for human health risk calculation, in Figueira case, except for Pb, and the Kp EDTA values were preferably recommended due to the less dispersion of their values; the KpC Soil metals default values could be applied for the human health risk calculation in Figueira case, in other words, it would not have necessity to determine Kp values of region (Kp EDTA and Kp Ca(NO3)2 ), except to Pb. (author)

  3. The universal function in color dipole model

    Science.gov (United States)

    Jalilian, Z.; Boroun, G. R.

    2017-10-01

    In this work we review color dipole model and recall properties of the saturation and geometrical scaling in this model. Our primary aim is determining the exact universal function in terms of the introduced scaling variable in different distance than the saturation radius. With inserting the mass in calculation we compute numerically the contribution of heavy productions in small x from the total structure function by the fraction of universal functions and show the geometrical scaling is established due to our scaling variable in this study.

  4. Prediction of Chemical Function: Model Development and ...

    Science.gov (United States)

    The United States Environmental Protection Agency’s Exposure Forecaster (ExpoCast) project is developing both statistical and mechanism-based computational models for predicting exposures to thousands of chemicals, including those in consumer products. The high-throughput (HT) screening-level exposures developed under ExpoCast can be combined with HT screening (HTS) bioactivity data for the risk-based prioritization of chemicals for further evaluation. The functional role (e.g. solvent, plasticizer, fragrance) that a chemical performs can drive both the types of products in which it is found and the concentration in which it is present and therefore impacting exposure potential. However, critical chemical use information (including functional role) is lacking for the majority of commercial chemicals for which exposure estimates are needed. A suite of machine-learning based models for classifying chemicals in terms of their likely functional roles in products based on structure were developed. This effort required collection, curation, and harmonization of publically-available data sources of chemical functional use information from government and industry bodies. Physicochemical and structure descriptor data were generated for chemicals with function data. Machine-learning classifier models for function were then built in a cross-validated manner from the descriptor/function data using the method of random forests. The models were applied to: 1) predict chemi

  5. Functional model of biological neural networks.

    Science.gov (United States)

    Lo, James Ting-Ho

    2010-12-01

    A functional model of biological neural networks, called temporal hierarchical probabilistic associative memory (THPAM), is proposed in this paper. THPAM comprises functional models of dendritic trees for encoding inputs to neurons, a first type of neuron for generating spike trains, a second type of neuron for generating graded signals to modulate neurons of the first type, supervised and unsupervised Hebbian learning mechanisms for easy learning and retrieving, an arrangement of dendritic trees for maximizing generalization, hardwiring for rotation-translation-scaling invariance, and feedback connections with different delay durations for neurons to make full use of present and past informations generated by neurons in the same and higher layers. These functional models and their processing operations have many functions of biological neural networks that have not been achieved by other models in the open literature and provide logically coherent answers to many long-standing neuroscientific questions. However, biological justifications of these functional models and their processing operations are required for THPAM to qualify as a macroscopic model (or low-order approximate) of biological neural networks.

  6. Mathematical modeling and visualization of functional neuroimages

    DEFF Research Database (Denmark)

    Rasmussen, Peter Mondrup

    This dissertation presents research results regarding mathematical modeling in the context of the analysis of functional neuroimages. Specifically, the research focuses on pattern-based analysis methods that recently have become popular analysis tools within the neuroimaging community. Such methods...... neuroimaging data sets are characterized by relatively few data observations in a high dimensional space. The process of building models in such data sets often requires strong regularization. Often, the degree of model regularization is chosen in order to maximize prediction accuracy. We focus on the relative...... be carefully selected, so that the model and its visualization enhance our ability to interpret brain function. The second part concerns interpretation of nonlinear models and procedures for extraction of ‘brain maps’ from nonlinear kernel models. We assess the performance of the sensitivity map as means...

  7. Structure functions in the chiral bag model

    International Nuclear Information System (INIS)

    Sanjose, V.; Vento, V.; Centro Mixto CSIC/Valencia Univ., Valencia

    1989-01-01

    We calculate the structure functions of an isoscalar nuclear target for the deep inelastic scattering by leptons in an extended version of the chiral bag model which incorporates the qanti q structure of the pions in the cloud. Bjorken scaling and Regge behavior are satisfied. The model calculation reproduces the low-x behavior of the data but fails to explain the medium- to large-x behavior. Evolution of the quark structure functions seem inevitable to attempt a connection between the low-energy models and the high-energy behavior of quantum chromodynamics. (orig.)

  8. Structure functions in the chiral bag model

    Energy Technology Data Exchange (ETDEWEB)

    Sanjose, V.; Vento, V.

    1989-07-13

    We calculate the structure functions of an isoscalar nuclear target for the deep inelastic scattering by leptons in an extended version of the chiral bag model which incorporates the qanti q structure of the pions in the cloud. Bjorken scaling and Regge behavior are satisfied. The model calculation reproduces the low-x behavior of the data but fails to explain the medium- to large-x behavior. Evolution of the quark structure functions seem inevitable to attempt a connection between the low-energy models and the high-energy behavior of quantum chromodynamics. (orig.).

  9. Skeletonization and Partitioning of Digital Images Using Discrete Morse Theory.

    Science.gov (United States)

    Delgado-Friedrichs, Olaf; Robins, Vanessa; Sheppard, Adrian

    2015-03-01

    We show how discrete Morse theory provides a rigorous and unifying foundation for defining skeletons and partitions of grayscale digital images. We model a grayscale image as a cubical complex with a real-valued function defined on its vertices (the voxel values). This function is extended to a discrete gradient vector field using the algorithm presented in Robins, Wood, Sheppard TPAMI 33:1646 (2011). In the current paper we define basins (the building blocks of a partition) and segments of the skeleton using the stable and unstable sets associated with critical cells. The natural connection between Morse theory and homology allows us to prove the topological validity of these constructions; for example, that the skeleton is homotopic to the initial object. We simplify the basins and skeletons via Morse-theoretic cancellation of critical cells in the discrete gradient vector field using a strategy informed by persistent homology. Simple working Python code for our algorithms for efficient vector field traversal is included. Example data are taken from micro-CT images of porous materials, an application area where accurate topological models of pore connectivity are vital for fluid-flow modelling.

  10. Data Acquisition for Quality Loss Function Modelling

    DEFF Research Database (Denmark)

    Pedersen, Søren Nygaard; Howard, Thomas J.

    2016-01-01

    Quality loss functions can be a valuable tool when assessing the impact of variation on product quality. Typically, the input for the quality loss function would be a measure of the varying product performance and the output would be a measure of quality. While the unit of the input is given by t...... by the product function in focus, the quality output can be measured and quantified in a number of ways. In this article a structured approach for acquiring stakeholder satisfaction data for use in quality loss function modelling is introduced.......Quality loss functions can be a valuable tool when assessing the impact of variation on product quality. Typically, the input for the quality loss function would be a measure of the varying product performance and the output would be a measure of quality. While the unit of the input is given...

  11. Modelling metal speciation in the Scheldt Estuary: Combining a flexible-resolution transport model with empirical functions

    Energy Technology Data Exchange (ETDEWEB)

    Elskens, Marc [Vrije Universiteit Brussel, Analytical, Pleinlaan 2, BE-1050 Brussels (Belgium); Gourgue, Olivier [Université catholique de Louvain, Institute of Mechanics, Materials and Civil Engineering (IMMC), 4 Avenue G. Lemaître, bte L4.05.02, BE-1348 Louvain-la-Neuve (Belgium); Université catholique de Louvain, Georges Lemaître Centre for Earth and Climate Research (TECLIM), Place Louis Pasteur 2, bte L4.03.08, BE-1348 Louvain-la-Neuve (Belgium); Baeyens, Willy [Vrije Universiteit Brussel, Analytical, Pleinlaan 2, BE-1050 Brussels (Belgium); Chou, Lei [Université Libre de Bruxelles, Biogéochimie et Modélisation du Système Terre (BGéoSys) —Océanographie Chimique et Géochimie des Eaux, Campus de la Plaine —CP 208, Boulevard du Triomphe, BE-1050 Brussels (Belgium); Deleersnijder, Eric [Université catholique de Louvain, Institute of Mechanics, Materials and Civil Engineering (IMMC), 4 Avenue G. Lemaître, bte L4.05.02, BE-1348 Louvain-la-Neuve (Belgium); Université catholique de Louvain, Earth and Life Institute (ELI), Georges Lemaître Centre for Earth and Climate Research (TECLIM), Place Louis Pasteur 2, bte L4.03.08, BE-1348 Louvain-la-Neuve (Belgium); Leermakers, Martine [Vrije Universiteit Brussel, Analytical, Pleinlaan 2, BE-1050 Brussels (Belgium); and others

    2014-04-01

    Predicting metal concentrations in surface waters is an important step in the understanding and ultimately the assessment of the ecological risk associated with metal contamination. In terms of risk an essential piece of information is the accurate knowledge of the partitioning of the metals between the dissolved and particulate phases, as the former species are generally regarded as the most bioavailable and thus harmful form. As a first step towards the understanding and prediction of metal speciation in the Scheldt Estuary (Belgium, the Netherlands), we carried out a detailed analysis of a historical dataset covering the period 1982–2011. This study reports on the results for two selected metals: Cu and Cd. Data analysis revealed that both the total metal concentration and the metal partitioning coefficient (K{sub d}) could be predicted using relatively simple empirical functions of environmental variables such as salinity and suspended particulate matter concentration (SPM). The validity of these functions has been assessed by their application to salinity and SPM fields simulated by the hydro-environmental model SLIM. The high-resolution total and dissolved metal concentrations reconstructed using this approach, compared surprisingly well with an independent set of validation measurements. These first results from the combined mechanistic-empirical model approach suggest that it may be an interesting tool for risk assessment studies, e.g. to help identify conditions associated with elevated (dissolved) metal concentrations. - Highlights: • Empirical functions were designed for assessing metal speciation in estuarine water. • The empirical functions were implemented in the hydro-environmental model SLIM. • Validation was carried out in the Scheldt Estuary using historical data 1982–2011. • This combined mechanistic-empirical approach is useful for risk assessment.

  12. An MCM modeling study of nitryl chloride (ClNO2) impacts on oxidation, ozone production and nitrogen oxide partitioning in polluted continental outflow

    Science.gov (United States)

    Riedel, T. P.; Wolfe, G. M.; Danas, K. T.; Gilman, J. B.; Kuster, W. C.; Bon, D. M.; Vlasenko, A.; Li, S.-M.; Williams, E. J.; Lerner, B. M.; Veres, P. R.; Roberts, J. M.; Holloway, J. S.; Lefer, B.; Brown, S. S.; Thornton, J. A.

    2014-04-01

    Nitryl chloride (ClNO2) is produced at night by reactions of dinitrogen pentoxide (N2O5) on chloride containing surfaces. ClNO2 is photolyzed during the morning hours after sunrise to liberate highly reactive chlorine atoms (Cl·). This chemistry takes place primarily in polluted environments where the concentrations of N2O5 precursors (nitrogen oxide radicals and ozone) are high, though it likely occurs in remote regions at lower intensities. Recent field measurements have illustrated the potential importance of ClNO2 as a daytime Cl· source and a nighttime NOx reservoir. However, the fate of the Cl· and the overall impact of ClNO2 on regional photochemistry remain poorly constrained by measurements and models. To this end, we have incorporated ClNO2 production, photolysis, and subsequent Cl· reactions into an existing master chemical mechanism (MCM version 3.2) box model framework using observational constraints from the CalNex 2010 field study. Cl· reactions with a set of alkenes and alcohols, and the simplified multiphase chemistry of N2O5, ClNO2, HOCl, ClONO2, and Cl2, none of which are currently part of the MCM, have been added to the mechanism. The presence of ClNO2 produces significant changes to oxidants, ozone, and nitrogen oxide partitioning, relative to model runs excluding ClNO2 formation. From a nighttime maximum of 1.5 ppbv ClNO2, the daytime maximum Cl· concentration reaches 1 × 105 atoms cm-3 at 07:00 model time, reacting mostly with a large suite of volatile organic compounds (VOC) to produce 2.2 times more organic peroxy radicals in the morning than in the absence of ClNO2. In the presence of several ppbv of nitrogen oxide radicals (NOx = NO + NO2), these perturbations lead to similar enhancements in hydrogen oxide radicals (HOx = OH + HO2). Neglecting contributions from HONO, the total integrated daytime radical source is 17% larger when including ClNO2, which leads to a similar enhancement in integrated ozone production of 15%. Detectable

  13. Thresholding projection estimators in functional linear models

    OpenAIRE

    Cardot, Hervé; Johannes, Jan

    2010-01-01

    We consider the problem of estimating the regression function in functional linear regression models by proposing a new type of projection estimators which combine dimension reduction and thresholding. The introduction of a threshold rule allows to get consistency under broad assumptions as well as minimax rates of convergence under additional regularity hypotheses. We also consider the particular case of Sobolev spaces generated by the trigonometric basis which permits to get easily mean squ...

  14. States of stress and slip partitioning in a continental scale strike-slip duplex: Tectonic and magmatic implications by means of finite element modeling

    Science.gov (United States)

    Iturrieta, Pablo Cristián; Hurtado, Daniel E.; Cembrano, José; Stanton-Yonge, Ashley

    2017-09-01

    Orogenic belts at oblique convergent subduction margins accommodate deformation in several trench-parallel domains, one of which is the magmatic arc, commonly regarded as taking up the margin-parallel, strike-slip component. However, the stress state and kinematics of volcanic arcs is more complex than usually recognized, involving first- and second-order faults with distinctive slip senses and mutual interaction. These are usually organized into regional scale strike-slip duplexes, associated with both long-term and short-term heterogeneous deformation and magmatic activity. This is the case of the 1100 km-long Liquiñe-Ofqui Fault System in the Southern Andes, made up of two overlapping margin-parallel master faults joined by several NE-striking second-order faults. We present a finite element model addressing the nature and spatial distribution of stress across and along the volcanic arc in the Southern Andes to understand slip partitioning and the connection between tectonics and magmatism, particularly during the interseismic phase of the subduction earthquake cycle. We correlate the dynamics of the strike-slip duplex with geological, seismic and magma transport evidence documented by previous work, showing consistency between the model and the inferred fault system behavior. Our results show that maximum principal stress orientations are heterogeneously distributed within the continental margin, ranging from 15° to 25° counter-clockwise (with respect to the convergence vector) in the master faults and 10-19° clockwise in the forearc and backarc domains. We calculate the stress tensor ellipticity, indicating simple shearing in the eastern master fault and transpressional stress in the western master fault. Subsidiary faults undergo transtensional-to-extensional stress states. The eastern master fault displays slip rates of 5 to 10 mm/yr, whereas the western and subsidiary faults show slips rates of 1 to 5 mm/yr. Our results endorse that favorably oriented

  15. Prediction of Partition Coefficients of Organic Compounds for SPME/PDMS

    OpenAIRE

    Liao Hsuan-Yu; Huang Miao-Ling; Lu Yu-Ting; Chao Keh-Ping

    2016-01-01

    The partition coefficients of 51 organic compounds between SPME/PDMS and gas were compiled from the literature sources in this study. The effect of physicochemical properties and descriptors on the partitioning process of partition coefficients was explicated by the correlation analysis. The PDMS-gas partition coefficients were well correlated to the molecular weight of organic compounds (r = 0.832, p < 0.05). An empirical model, consisting of the molecular weight and the polarizability, was ...

  16. LHCb: Optimising query execution time in LHCb Bookkeeping System using partition pruning and partition wise joins

    CERN Multimedia

    Mathe, Z

    2013-01-01

    The LHCb experiment produces a huge amount of data which has associated metadata such as run number, data taking condition (detector status when the data was taken), simulation condition, etc. The data are stored in files, replicated on the Computing Grid around the world. The LHCb Bookkeeping System provides methods for retrieving datasets based on their metadata. The metadata is stored in a hybrid database model, which is a mixture of Relational and Hierarchical database models and is based on the Oracle Relational Database Management System (RDBMS). The database access has to be reliable and fast. In order to achieve a high timing performance, the tables are partitioned and the queries are executed in parallel. When we store large amounts of data the partition pruning is essential for database performance, because it reduces the amount of data retrieved from the disk and optimises the resource utilisation. This research presented here is focusing on the extended composite partitioning strategy such as rang...

  17. A systemic approach for modeling soil functions

    Science.gov (United States)

    Vogel, Hans-Jörg; Bartke, Stephan; Daedlow, Katrin; Helming, Katharina; Kögel-Knabner, Ingrid; Lang, Birgit; Rabot, Eva; Russell, David; Stößel, Bastian; Weller, Ulrich; Wiesmeier, Martin; Wollschläger, Ute

    2018-03-01

    The central importance of soil for the functioning of terrestrial systems is increasingly recognized. Critically relevant for water quality, climate control, nutrient cycling and biodiversity, soil provides more functions than just the basis for agricultural production. Nowadays, soil is increasingly under pressure as a limited resource for the production of food, energy and raw materials. This has led to an increasing demand for concepts assessing soil functions so that they can be adequately considered in decision-making aimed at sustainable soil management. The various soil science disciplines have progressively developed highly sophisticated methods to explore the multitude of physical, chemical and biological processes in soil. It is not obvious, however, how the steadily improving insight into soil processes may contribute to the evaluation of soil functions. Here, we present to a new systemic modeling framework that allows for a consistent coupling between reductionist yet observable indicators for soil functions with detailed process understanding. It is based on the mechanistic relationships between soil functional attributes, each explained by a network of interacting processes as derived from scientific evidence. The non-linear character of these interactions produces stability and resilience of soil with respect to functional characteristics. We anticipate that this new conceptional framework will integrate the various soil science disciplines and help identify important future research questions at the interface between disciplines. It allows the overwhelming complexity of soil systems to be adequately coped with and paves the way for steadily improving our capability to assess soil functions based on scientific understanding.

  18. Bayesian Modelling of Functional Whole Brain Connectivity

    DEFF Research Database (Denmark)

    Røge, Rasmus

    the prevalent strategy of standardizing of fMRI time series and model data using directional statistics or we model the variability in the signal across the brain and across multiple subjects. In either case, we use Bayesian nonparametric modeling to automatically learn from the fMRI data the number......This thesis deals with parcellation of whole-brain functional magnetic resonance imaging (fMRI) using Bayesian inference with mixture models tailored to the fMRI data. In the three included papers and manuscripts, we analyze two different approaches to modeling fMRI signal; either we accept...... of funcional units, i.e. parcels. We benchmark the proposed mixture models against state of the art methods of brain parcellation, both probabilistic and non-probabilistic. The time series of each voxel are most often standardized using z-scoring which projects the time series data onto a hypersphere...

  19. Mathematical modeling and visualization of functional neuroimages

    DEFF Research Database (Denmark)

    Rasmussen, Peter Mondrup

    This dissertation presents research results regarding mathematical modeling in the context of the analysis of functional neuroimages. Specifically, the research focuses on pattern-based analysis methods that recently have become popular within the neuroimaging community. Such methods attempt...... sets are characterized by relatively few data observations in a high dimensional space. The process of building models in such data sets often requires strong regularization. Often, the degree of model regularization is chosen in order to maximize prediction accuracy. We focus on the relative influence...... be carefully selected, so that the model and its visualization enhance our ability to interpret the brain. The second part concerns interpretation of nonlinear models and procedures for extraction of ‘brain maps’ from nonlinear kernel models. We assess the performance of the sensitivity map as means...

  20. Divergent evapotranspiration partition dynamics between shrubs and grasses in a shrub-encroached steppe ecosystem.

    Science.gov (United States)

    Wang, Pei; Li, Xiao-Yan; Wang, Lixin; Wu, Xiuchen; Hu, Xia; Fan, Ying; Tong, Yaqin

    2018-06-04

    Previous evapotranspiration (ET) partitioning studies have usually neglected competitions and interactions between antagonistic plant functional types. This study investigated whether shrubs and grasses have divergent ET partition dynamics impacted by different water-use patterns, canopy structures, and physiological properties in a shrub-encroached steppe ecosystem in Inner Mongolia, China. The soil water-use patterns of shrubs and grasses have been quantified by an isotopic tracing approach and coupled into an improved multisource energy balance model to partition ET fluxes into soil evaporation, grass transpiration, and shrub transpiration. The mean fractional contributions to total ET were 24 ± 13%, 20 ± 4%, and 56 ± 16% for shrub transpiration, grass transpiration, and soil evaporation respectively during the growing season. Difference in ecohydrological connectivity and leaf development both contributed to divergent transpiration partitioning between shrubs and grasses. Shrub-encroachment processes result in larger changes in the ET components than in total ET flux, which could be well explained by changes in canopy resistance, an ecosystem function dominated by the interaction of soil water-use patterns and ecosystem structure. The analyses presented here highlight the crucial effects of vegetation structural changes on the processes of land-atmosphere interaction and climate feedback. © 2018 The Authors. New Phytologist © 2018 New Phytologist Trust.

  1. The Goodwin model: behind the Hill function.

    Directory of Open Access Journals (Sweden)

    Didier Gonze

    Full Text Available The Goodwin model is a 3-variable model demonstrating the emergence of oscillations in a delayed negative feedback-based system at the molecular level. This prototypical model and its variants have been commonly used to model circadian and other genetic oscillators in biology. The only source of non-linearity in this model is a Hill function, characterizing the repression process. It was mathematically shown that to obtain limit-cycle oscillations, the Hill coefficient must be larger than 8, a value often considered unrealistic. It is indeed difficult to explain such a high coefficient with simple cooperative dynamics. We present here molecular models of the standard Goodwin model, based on single or multisite phosphorylation/dephosphorylation processes of a transcription factor, which have been previously shown to generate switch-like responses. We show that when the phosphorylation/dephosphorylation processes are fast enough, the limit-cycle obtained with a multisite phosphorylation-based mechanism is in very good quantitative agreement with the oscillations observed in the Goodwin model. Conditions in which the detailed mechanism is well approximated by the Goodwin model are given. A variant of the Goodwin model which displays sharp thresholds and relaxation oscillations is also explained by a double phosphorylation/dephosphorylation-based mechanism through a bistable behavior. These results not only provide rational support for the Goodwin model but also highlight the crucial role of the speed of post-translational processes, whose response curve are usually established at a steady state, in biochemical oscillators.

  2. 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.)

  3. Symmetries and modelling functions for diffusion processes

    International Nuclear Information System (INIS)

    Nikitin, A G; Spichak, S V; Vedula, Yu S; Naumovets, A G

    2009-01-01

    A constructive approach to the theory of diffusion processes is proposed, which is based on application of both symmetry analysis and the method of modelling functions. An algorithm for construction of the modelling functions is suggested. This algorithm is based on the error function expansion (ERFEX) of experimental concentration profiles. The high-accuracy analytical description of the profiles provided by ERFEX approximation allows a convenient extraction of the concentration dependence of diffusivity from experimental data and prediction of the diffusion process. Our analysis is exemplified by its employment in experimental results obtained for surface diffusion of lithium on the molybdenum (1 1 2) surface precovered with dysprosium. The ERFEX approximation can be directly extended to many other diffusion systems.

  4. The grand partition function Z ({alpha},{beta}) of a quantum system is studied, using diagrammatic representations of the perturbation expansion; La grande fonction de partition Z ({alpha},{beta}) d'un systeme quantique est etudies en utilisant des representations diagrammatiques du developpement en serie des perturbations

    Energy Technology Data Exchange (ETDEWEB)

    Dominicis, C. de [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1961-07-01

    The grand partition function Z ({alpha},{beta}) of a quantum system is studied, using diagrammatic representations of the perturbation expansion. For a fermions system, it is possible to show, by proper resummation, without approximations but under some 'regularity hypothesis', that Log Z ({alpha},{beta}) takes a form where, besides trivial dependences, {alpha} and {beta} only appear through a statistical factor F{sub k}{sup -} = [1 + e{sup -{alpha}}{sup +{beta}}{sup {epsilon}{sub k}{sup 0}}{sup -{beta}}{sup W{sub k}}]{sup -1}. W{sub k} is a (real) self-consistent potential, generalized to all orders and can be defined by a stationary condition on Log Z ({alpha},{beta}) under variations of F{sub k}{sup -}. The thermodynamical quantities take a form analogous to the expressions Landau introduced for the Fermi liquids. The zero temperature limit (for isotropic systems) gives back Goldstone expressions for the ground state of a system. (author) [French] La grande fonction de partition Z ({alpha},{beta}) d'un systeme quantique est etudiee en utilisant des representations diagrammatiques du developpement en serie des perturbations. Pour un systeme de fermions on peut, par des resommations adequates, sans approximations mais sous reserve d'une 'hypothese de regularite', mettre Log Z ({alpha},{beta}) sous une forme ou, en dehors de dependances triviales, {alpha} et {beta} n'interviennent que par l'intermediaire d'un facteur statistique F{sub k}{sup -} = [1 + e{sup -{alpha}}{sup +{beta}}{sup {epsilon}{sub k}{sup 0}}{sup -{beta}}{sup W{sub k}}]{sup -1}. W{sub k} est ici un potentiel self-consistant (reel) generalise a tous les ordres et peut etre defini par une condition de stationnarite de Log Z ({alpha},{beta}) pour des variations de F{sub k}{sup -}. Les grandeurs thermodynamiques prennent une forme analogue aux expressions que LANDAU a introduites pour les liquides de FERMI. A la limite de la temperature nulle (et pour un

  5. The grand partition function Z ({alpha},{beta}) of a quantum system is studied, using diagrammatic representations of the perturbation expansion; La grande fonction de partition Z ({alpha},{beta}) d'un systeme quantique est etudies en utilisant des representations diagrammatiques du developpement en serie des perturbations

    Energy Technology Data Exchange (ETDEWEB)

    Dominicis, C de [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1961-07-01

    The grand partition function Z ({alpha},{beta}) of a quantum system is studied, using diagrammatic representations of the perturbation expansion. For a fermions system, it is possible to show, by proper resummation, without approximations but under some 'regularity hypothesis', that Log Z ({alpha},{beta}) takes a form where, besides trivial dependences, {alpha} and {beta} only appear through a statistical factor F{sub k}{sup -} = [1 + e{sup -{alpha}}{sup +{beta}}{sup {epsilon}{sub k}{sup 0}}{sup -{beta}}{sup W{sub k}}]{sup -1}. W{sub k} is a (real) self-consistent potential, generalized to all orders and can be defined by a stationary condition on Log Z ({alpha},{beta}) under variations of F{sub k}{sup -}. The thermodynamical quantities take a form analogous to the expressions Landau introduced for the Fermi liquids. The zero temperature limit (for isotropic systems) gives back Goldstone expressions for the ground state of a system. (author) [French] La grande fonction de partition Z ({alpha},{beta}) d'un systeme quantique est etudiee en utilisant des representations diagrammatiques du developpement en serie des perturbations. Pour un systeme de fermions on peut, par des resommations adequates, sans approximations mais sous reserve d'une 'hypothese de regularite', mettre Log Z ({alpha},{beta}) sous une forme ou, en dehors de dependances triviales, {alpha} et {beta} n'interviennent que par l'intermediaire d'un facteur statistique F{sub k}{sup -} = [1 + e{sup -{alpha}}{sup +{beta}}{sup {epsilon}{sub k}{sup 0}}{sup -{beta}}{sup W{sub k}}]{sup -1}. W{sub k} est ici un potentiel self-consistant (reel) generalise a tous les ordres et peut etre defini par une condition de stationnarite de Log Z ({alpha},{beta}) pour des variations de F{sub k}{sup -}. Les grandeurs thermodynamiques prennent une forme analogue aux expressions que LANDAU a introduites pour les liquides de FERMI. A la limite de la temperature nulle (et pour un systeme isotrope) on retrouve terme a terme les

  6. Hazard identification based on plant functional modelling

    International Nuclear Information System (INIS)

    Rasmussen, B.; Whetton, C.

    1993-10-01

    A major objective of the present work is to provide means for representing a process plant as a socio-technical system, so as to allow hazard identification at a high level. The method includes technical, human and organisational aspects and is intended to be used for plant level hazard identification so as to identify critical areas and the need for further analysis using existing methods. The first part of the method is the preparation of a plant functional model where a set of plant functions link together hardware, software, operations, work organisation and other safety related aspects of the plant. The basic principle of the functional modelling is that any aspect of the plant can be represented by an object (in the sense that this term is used in computer science) based upon an Intent (or goal); associated with each Intent are Methods, by which the Intent is realized, and Constraints, which limit the Intent. The Methods and Constraints can themselves be treated as objects and decomposed into lower-level Intents (hence the procedure is known as functional decomposition) so giving rise to a hierarchical, object-oriented structure. The plant level hazard identification is carried out on the plant functional model using the Concept Hazard Analysis method. In this, the user will be supported by checklists and keywords and the analysis is structured by pre-defined worksheets. The preparation of the plant functional model and the performance of the hazard identification can be carried out manually or with computer support. (au) (4 tabs., 10 ills., 7 refs.)

  7. Maximum entropy models of ecosystem functioning

    International Nuclear Information System (INIS)

    Bertram, Jason

    2014-01-01

    Using organism-level traits to deduce community-level relationships is a fundamental problem in theoretical ecology. This problem parallels the physical one of using particle properties to deduce macroscopic thermodynamic laws, which was successfully achieved with the development of statistical physics. Drawing on this parallel, theoretical ecologists from Lotka onwards have attempted to construct statistical mechanistic theories of ecosystem functioning. Jaynes’ broader interpretation of statistical mechanics, which hinges on the entropy maximisation algorithm (MaxEnt), is of central importance here because the classical foundations of statistical physics do not have clear ecological analogues (e.g. phase space, dynamical invariants). However, models based on the information theoretic interpretation of MaxEnt are difficult to interpret ecologically. Here I give a broad discussion of statistical mechanical models of ecosystem functioning and the application of MaxEnt in these models. Emphasising the sample frequency interpretation of MaxEnt, I show that MaxEnt can be used to construct models of ecosystem functioning which are statistical mechanical in the traditional sense using a savanna plant ecology model as an example

  8. Maximum entropy models of ecosystem functioning

    Energy Technology Data Exchange (ETDEWEB)

    Bertram, Jason, E-mail: jason.bertram@anu.edu.au [Research School of Biology, The Australian National University, Canberra ACT 0200 (Australia)

    2014-12-05

    Using organism-level traits to deduce community-level relationships is a fundamental problem in theoretical ecology. This problem parallels the physical one of using particle properties to deduce macroscopic thermodynamic laws, which was successfully achieved with the development of statistical physics. Drawing on this parallel, theoretical ecologists from Lotka onwards have attempted to construct statistical mechanistic theories of ecosystem functioning. Jaynes’ broader interpretation of statistical mechanics, which hinges on the entropy maximisation algorithm (MaxEnt), is of central importance here because the classical foundations of statistical physics do not have clear ecological analogues (e.g. phase space, dynamical invariants). However, models based on the information theoretic interpretation of MaxEnt are difficult to interpret ecologically. Here I give a broad discussion of statistical mechanical models of ecosystem functioning and the application of MaxEnt in these models. Emphasising the sample frequency interpretation of MaxEnt, I show that MaxEnt can be used to construct models of ecosystem functioning which are statistical mechanical in the traditional sense using a savanna plant ecology model as an example.

  9. Calculation of the octanol-water partition coefficient of armchair polyhex BN nanotubes

    Science.gov (United States)

    Mohammadinasab, E.; Pérez-Sánchez, H.; Goodarzi, M.

    2017-12-01

    A predictive model for determination partition coefficient (log P) of armchair polyhex BN nanotubes by using simple descriptors was built. The relationship between the octanol-water log P and quantum chemical descriptors, electric moments, and topological indices of some armchair polyhex BN nanotubes with various lengths and fixed circumference are represented. Based on density functional theory electric moments and physico-chemical properties of those nanotubes are calculated.

  10. Uncertainties associated with lacking data for predictions of solid-solution partitioning of metals in soil

    International Nuclear Information System (INIS)

    Le, T.T. Yen; Hendriks, A. Jan

    2014-01-01

    Soil properties, i.e., pH and contents of soil organic matter (SOM), dissolved organic carbon (DOC), clay, oxides, and reactive metals, are required inputs to both mechanistic and empirical modeling in assessing metal solid-solution partitioning. Several of these properties are rarely measured in site-specific risk assessment. We compared the uncertainties induced by lacking data on these soil properties in estimating metal soil solution concentrations. The predictions by the Orchestra framework were more sensitive to lacking soil property data than the predictions by the transfer functions. The deviations between soil solution concentrations of Cd, Ni, Zn, Ba, and Co estimated with measured SOM and those estimated with generic SOM by the Orchestra framework were about 10 times larger than the deviations in the predictions by the transfer functions. High uncertainties were induced by lacking data in assessing solid-solution partitioning of oxy-anions like As, Mo, Sb, Se, and V. Deviations associated with lacking data in predicting soil solution concentrations of these metals by the Orchestra framework reached three-to-six orders of magnitude. The solid-solution partitioning of metal cations was strongly influenced by pH and contents of organic matter, oxides, and reactive metals. Deviations of more than two orders of magnitude were frequently observed between the estimates of soil solution concentrations with the generic values of these properties and the estimates based on the measured data. Reliable information on these properties is preferred to be included in the assessment by either the Orchestra framework or transfer functions. - Highlights: • Estimates of metal solid-solution partitioning sensitive to soil property data. • Uncertainty mainly due to lacking reactive metal contents, pH, and organic matter. • Soil solution concentrations of oxy-anions highly influenced by oxide contents. • Clay contents had least effects on solid-solution partitioning

  11. Uncertainties associated with lacking data for predictions of solid-solution partitioning of metals in soil

    Energy Technology Data Exchange (ETDEWEB)

    Le, T.T. Yen, E-mail: YenLe@science.ru.nl; Hendriks, A. Jan

    2014-08-15

    Soil properties, i.e., pH and contents of soil organic matter (SOM), dissolved organic carbon (DOC), clay, oxides, and reactive metals, are required inputs to both mechanistic and empirical modeling in assessing metal solid-solution partitioning. Several of these properties are rarely measured in site-specific risk assessment. We compared the uncertainties induced by lacking data on these soil properties in estimating metal soil solution concentrations. The predictions by the Orchestra framework were more sensitive to lacking soil property data than the predictions by the transfer functions. The deviations between soil solution concentrations of Cd, Ni, Zn, Ba, and Co estimated with measured SOM and those estimated with generic SOM by the Orchestra framework were about 10 times larger than the deviations in the predictions by the transfer functions. High uncertainties were induced by lacking data in assessing solid-solution partitioning of oxy-anions like As, Mo, Sb, Se, and V. Deviations associated with lacking data in predicting soil solution concentrations of these metals by the Orchestra framework reached three-to-six orders of magnitude. The solid-solution partitioning of metal cations was strongly influenced by pH and contents of organic matter, oxides, and reactive metals. Deviations of more than two orders of magnitude were frequently observed between the estimates of soil solution concentrations with the generic values of these properties and the estimates based on the measured data. Reliable information on these properties is preferred to be included in the assessment by either the Orchestra framework or transfer functions. - Highlights: • Estimates of metal solid-solution partitioning sensitive to soil property data. • Uncertainty mainly due to lacking reactive metal contents, pH, and organic matter. • Soil solution concentrations of oxy-anions highly influenced by oxide contents. • Clay contents had least effects on solid-solution partitioning

  12. AN APPLICATION OF FUNCTIONAL MULTIVARIATE REGRESSION MODEL TO MULTICLASS CLASSIFICATION

    OpenAIRE

    Krzyśko, Mirosław; Smaga, Łukasz

    2017-01-01

    In this paper, the scale response functional multivariate regression model is considered. By using the basis functions representation of functional predictors and regression coefficients, this model is rewritten as a multivariate regression model. This representation of the functional multivariate regression model is used for multiclass classification for multivariate functional data. Computational experiments performed on real labelled data sets demonstrate the effectiveness of the proposed ...

  13. Multivariate Heteroscedasticity Models for Functional Brain Connectivity

    Directory of Open Access Journals (Sweden)

    Christof Seiler

    2017-12-01

    Full Text Available Functional brain connectivity is the co-occurrence of brain activity in different areas during resting and while doing tasks. The data of interest are multivariate timeseries measured simultaneously across brain parcels using resting-state fMRI (rfMRI. We analyze functional connectivity using two heteroscedasticity models. Our first model is low-dimensional and scales linearly in the number of brain parcels. Our second model scales quadratically. We apply both models to data from the Human Connectome Project (HCP comparing connectivity between short and conventional sleepers. We find stronger functional connectivity in short than conventional sleepers in brain areas consistent with previous findings. This might be due to subjects falling asleep in the scanner. Consequently, we recommend the inclusion of average sleep duration as a covariate to remove unwanted variation in rfMRI studies. A power analysis using the HCP data shows that a sample size of 40 detects 50% of the connectivity at a false discovery rate of 20%. We provide implementations using R and the probabilistic programming language Stan.

  14. Two-point boundary correlation functions of dense loop models

    Directory of Open Access Journals (Sweden)

    Alexi Morin-Duchesne, Jesper Lykke Jacobsen

    2018-06-01

    Full Text Available We investigate six types of two-point boundary correlation functions in the dense loop model. These are defined as ratios $Z/Z^0$ of partition functions on the $m\\times n$ square lattice, with the boundary condition for $Z$ depending on two points $x$ and $y$. We consider: the insertion of an isolated defect (a and a pair of defects (b in a Dirichlet boundary condition, the transition (c between Dirichlet and Neumann boundary conditions, and the connectivity of clusters (d, loops (e and boundary segments (f in a Neumann boundary condition. For the model of critical dense polymers, corresponding to a vanishing loop weight ($\\beta = 0$, we find determinant and pfaffian expressions for these correlators. We extract the conformal weights of the underlying conformal fields and find $\\Delta = -\\frac18$, $0$, $-\\frac3{32}$, $\\frac38$, $1$, $\\tfrac \\theta \\pi (1+\\tfrac{2\\theta}\\pi$, where $\\theta$ encodes the weight of one class of loops for the correlator of type f. These results are obtained by analysing the asymptotics of the exact expressions, and by using the Cardy-Peschel formula in the case where $x$ and $y$ are set to the corners. For type b, we find a $\\log|x-y|$ dependence from the asymptotics, and a $\\ln (\\ln n$ term in the corner free energy. This is consistent with the interpretation of the boundary condition of type b as the insertion of a logarithmic field belonging to a rank two Jordan cell. For the other values of $\\beta = 2 \\cos \\lambda$, we use the hypothesis of conformal invariance to predict the conformal weights and find $\\Delta = \\Delta_{1,2}$, $\\Delta_{1,3}$, $\\Delta_{0,\\frac12}$, $\\Delta_{1,0}$, $\\Delta_{1,-1}$ and $\\Delta_{\\frac{2\\theta}\\lambda+1,\\frac{2\\theta}\\lambda+1}$, extending the results of critical dense polymers. With the results for type f, we reproduce a Coulomb gas prediction for the valence bond entanglement entropy of Jacobsen and Saleur.

  15. Incentives for partitioning, revisited

    International Nuclear Information System (INIS)

    Cloninger, M.O.

    1980-01-01

    The incentives for separating and eliminating various elements from radioactive waste prior to final geologic disposal were investigated. Exposure pathways to humans were defined, and potential radiation doses to an individual living within the region of influence of the underground storage site were calculated. The assumed radionuclide source was 1/5 of the accumulated high-level waste from the US nuclear power economy through the year 2000. The repository containing the waste was assumed to be located in a reference salt site geology. The study required numerous assumptions concerning the transport of radioactivity from the geologic storage site to man. The assumptions used maximized the estimated potential radiation doses, particularly in the case of the intrusion water well scenario, where hydrologic flow field dispersion effects were ignored. Thus, incentives for removing elements from the waste tended to be maximized. Incentives were also maximized by assuming that elements removed from the waste could be eliminated from the earth without risk. The results of the study indicate that for reasonable disposal conditions, incentives for partitioning any elements from the waste in order to minimize the risk to humans are marginal at best

  16. Partitioning ecosystems for sustainability.

    Science.gov (United States)

    Murray, Martyn G

    2016-03-01

    Decline in the abundance of renewable natural resources (RNRs) coupled with increasing demands of an expanding human population will greatly intensify competition for Earth's natural resources during this century, yet curiously, analytical approaches to the management of productive ecosystems (ecological theory of wildlife harvesting, tragedy of the commons, green economics, and bioeconomics) give only peripheral attention to the driving influence of competition on resource exploitation. Here, I apply resource competition theory (RCT) to the exploitation of RNRs and derive four general policies in support of their sustainable and equitable use: (1) regulate resource extraction technology to avoid damage to the resource base; (2) increase efficiency of resource use and reduce waste at every step in the resource supply chain and distribution network; (3) partition ecosystems with the harvesting niche as the basic organizing principle for sustainable management of natural resources by multiple users; and (4) increase negative feedback between consumer and resource to bring about long-term sustainable use. A simple policy framework demonstrates how RCT integrates with other elements of sustainability science to better manage productive ecosystems. Several problem areas of RNR management are discussed in the light of RCT, including tragedy of the commons, overharvesting, resource collapse, bycatch, single species quotas, and simplification of ecosystems.

  17. Present status of partitioning developments

    International Nuclear Information System (INIS)

    Nakamura, Haruto; Kubota, Masumitsu; Tachimori, Shoichi

    1978-09-01

    Evolution and development of the concept of partitioning of high-level liquid wastes (HLLW) in nuclear fuel reprocessing are reviewed historically from the early phase of separating useful radioisotopes from HLLW to the recent phase of eliminating hazardous nuclides such as transuranium elements for safe waste disposal. Since the criteria in determining the nuclides for elimination and the respective decontamination factors are important in the strategy of partitioning, current views on the criteria are summarized. As elimination of the transuranium is most significant in the partitioning, various methods available of separating them from fission products are evaluated. (auth.)

  18. A Generic Modeling Process to Support Functional Fault Model Development

    Science.gov (United States)

    Maul, William A.; Hemminger, Joseph A.; Oostdyk, Rebecca; Bis, Rachael A.

    2016-01-01

    Functional fault models (FFMs) are qualitative representations of a system's failure space that are used to provide a diagnostic of the modeled system. An FFM simulates the failure effect propagation paths within a system between failure modes and observation points. These models contain a significant amount of information about the system including the design, operation and off nominal behavior. The development and verification of the models can be costly in both time and resources. In addition, models depicting similar components can be distinct, both in appearance and function, when created individually, because there are numerous ways of representing the failure space within each component. Generic application of FFMs has the advantages of software code reuse: reduction of time and resources in both development and verification, and a standard set of component models from which future system models can be generated with common appearance and diagnostic performance. This paper outlines the motivation to develop a generic modeling process for FFMs at the component level and the effort to implement that process through modeling conventions and a software tool. The implementation of this generic modeling process within a fault isolation demonstration for NASA's Advanced Ground System Maintenance (AGSM) Integrated Health Management (IHM) project is presented and the impact discussed.

  19. Bosonisation of four dimensional real fermionic string models and asymmetric orbifolds

    International Nuclear Information System (INIS)

    Bailin, D.; Dunbar, D.C.; Love, A.

    1990-01-01

    Models of four dimensional strings based on internal world-sheet fermions are bosonised and the partition functions are compared with the partition functions of asymmetric Z 2 M orbifold models. Selection rules and couplings are also compared between the two formations. (orig.)

  20. Parisi function for two spin glass models

    International Nuclear Information System (INIS)

    Sibani, P.; Hertz, J.A.

    1984-01-01

    The probability distribution function P(q) for the overlap of pairs of metastable states and the associated Parisi order function q(x) are calculated exactly at zero temperature for two simple models. The first is a chain in which each spin interacts randomly with the sum of all the spins between it and one end of the chain; the second is an infinite-range limit of a spin glass version of Dyson's hierarchical model. Both have nontrivial overlap distributions: In the first case the problem reduces to a variable-step-length random walk problem, leading to q(x)=sin(πx). In the second model P(q) can be calculated by a simple recursion relation which generates devil's staircase structure in q(x). If the fraction p of antiferromagnetic bonds is less than 1/√2, the staircase is complete and the fractal dimensionality of the complement of the domain where q(x) is flat is log 2/log (1/p 2 ). In both models the space of metastable states can be described in terms of Cayley trees, which however have a different physical interpretation than in the S.K. model. (orig.)

  1. Functional Security Model: Managers Engineers Working Together

    Science.gov (United States)

    Guillen, Edward Paul; Quintero, Rulfo

    2008-05-01

    Information security has a wide variety of solutions including security policies, network architectures and technological applications, they are usually designed and implemented by security architects, but in its own complexity this solutions are difficult to understand by company managers and they are who finally fund the security project. The main goal of the functional security model is to achieve a solid security platform reliable and understandable in the whole company without leaving of side the rigor of the recommendations and the laws compliance in a single frame. This paper shows a general scheme of the model with the use of important standards and tries to give an integrated solution.

  2. Sivers function in constituent quark models

    CERN Document Server

    Scopetta, S.; Fratini, F.; Vento, V.

    2008-01-01

    A formalism to evaluate the Sivers function, developed for calculations in constituent quark models, is applied to the Isgur-Karl model. A non-vanishing Sivers asymmetry, with opposite signs for the u and d flavor, is found; the Burkardt sum rule is fulfilled up to 2 %. Nuclear effects in the extraction of neutron single spin asymmetries in semi-inclusive deep inelastic scattering off 3He are also evaluated. In the kinematics of JLab, it is found that the nuclear effects described by an Impulse Approximation approach are under control.

  3. A general phenomenological model for work function

    Science.gov (United States)

    Brodie, I.; Chou, S. H.; Yuan, H.

    2014-07-01

    A general phenomenological model is presented for obtaining the zero Kelvin work function of any crystal facet of metals and semiconductors, both clean and covered with a monolayer of electropositive atoms. It utilizes the known physical structure of the crystal and the Fermi energy of the two-dimensional electron gas assumed to form on the surface. A key parameter is the number of electrons donated to the surface electron gas per surface lattice site or adsorbed atom, which is taken to be an integer. Initially this is found by trial and later justified by examining the state of the valence electrons of the relevant atoms. In the case of adsorbed monolayers of electropositive atoms a satisfactory justification could not always be found, particularly for cesium, but a trial value always predicted work functions close to the experimental values. The model can also predict the variation of work function with temperature for clean crystal facets. The model is applied to various crystal faces of tungsten, aluminium, silver, and select metal oxides, and most demonstrate good fits compared to available experimental values.

  4. Mathematical Models of Cardiac Pacemaking Function

    Science.gov (United States)

    Li, Pan; Lines, Glenn T.; Maleckar, Mary M.; Tveito, Aslak

    2013-10-01

    Over the past half century, there has been intense and fruitful interaction between experimental and computational investigations of cardiac function. This interaction has, for example, led to deep understanding of cardiac excitation-contraction coupling; how it works, as well as how it fails. However, many lines of inquiry remain unresolved, among them the initiation of each heartbeat. The sinoatrial node, a cluster of specialized pacemaking cells in the right atrium of the heart, spontaneously generates an electro-chemical wave that spreads through the atria and through the cardiac conduction system to the ventricles, initiating the contraction of cardiac muscle essential for pumping blood to the body. Despite the fundamental importance of this primary pacemaker, this process is still not fully understood, and ionic mechanisms underlying cardiac pacemaking function are currently under heated debate. Several mathematical models of sinoatrial node cell membrane electrophysiology have been constructed as based on different experimental data sets and hypotheses. As could be expected, these differing models offer diverse predictions about cardiac pacemaking activities. This paper aims to present the current state of debate over the origins of the pacemaking function of the sinoatrial node. Here, we will specifically review the state-of-the-art of cardiac pacemaker modeling, with a special emphasis on current discrepancies, limitations, and future challenges.

  5. Mathematical Models of Cardiac Pacemaking Function

    Directory of Open Access Journals (Sweden)

    Pan eLi

    2013-10-01

    Full Text Available Over the past half century, there has been intense and fruitful interaction between experimental and computational investigations of cardiac function. This interaction has, for example, led to deep understanding of cardiac excitation-contraction coupling; how it works, as well as how it fails. However, many lines of inquiry remain unresolved, among them the initiation of each heartbeat. The sinoatrial node, a cluster of specialized pacemaking cells in the right atrium of the heart, spontaneously generates an electro-chemical wave that spreads through the atria and through the cardiac conduction system to the ventricles, initiating the contraction of cardiac muscle essential for pumping blood to the body. Despite the fundamental importance of this primary pacemaker, this process is still not fully understood, and ionic mechanisms underlying cardiac pacemaking function are currently under heated debate. Several mathematical models of sinoatrial node cell membrane electrophysiology have been constructed as based on different experimental data sets and hypotheses. As could be expected, these differing models offer diverse predictions about cardiac pacemaking activities. This paper aims to present the current state of debate over the origins of the pacemaking function of the sinoatrial node. Here, we will specifically review the state-of-the-art of cardiac pacemaker modeling, with a special emphasis on current discrepancies, limitations, and future challenges.

  6. Modeling of sintering of functionally gradated materials

    International Nuclear Information System (INIS)

    Gasik, M.; Zhang, B.

    2001-01-01

    The functionally gradated materials (FGMs) are distinguished from isotropic materials by gradients of composition, phase distribution, porosity, and related properties. For FGMs made by powder metallurgy, sintering control is one of the most important factors. In this study sintering process of FGMs is modeled and simulated with a computer. A new modeling approach was used to formulate equation systems and the model for sintering of gradated hard metals, coupled with heat transfer and grain growth. A FEM module was developed to simulate FGM sintering in conventional, microwave and hybrid conditions, to calculate density, stress and temperature distribution. Behavior of gradated WC-Co hardmetal plate and cone specimens was simulated for various conditions, such as mean particle size, green density distribution and cobalt gradation parameter. The results show that the deformation behavior and stress history of graded powder compacts during heating, sintering and cooling could be predicted for optimization of sintering process. (author)

  7. A hybrid nested partitions algorithm for banking facility location problems

    KAUST Repository

    Xia, Li

    2010-07-01

    The facility location problem has been studied in many industries including banking network, chain stores, and wireless network. Maximal covering location problem (MCLP) is a general model for this type of problems. Motivated by a real-world banking facility optimization project, we propose an enhanced MCLP model which captures the important features of this practical problem, namely, varied costs and revenues, multitype facilities, and flexible coverage functions. To solve this practical problem, we apply an existing hybrid nested partitions algorithm to the large-scale situation. We further use heuristic-based extensions to generate feasible solutions more efficiently. In addition, the upper bound of this problem is introduced to study the quality of solutions. Numerical results demonstrate the effectiveness and efficiency of our approach. © 2010 IEEE.

  8. The impact of aerosol composition on the particle to gas partitioning of reactive mercury.

    Science.gov (United States)

    Rutter, Andrew P; Schauer, James J

    2007-06-01

    A laboratory system was developed to study the gas-particle partitioning of reactive mercury (RM) as a function of aerosol composition in synthetic atmospheric particulate matter. The collection of RM was achieved by filter- and sorbent-based methods. Analyses of the RM collected on the filters and sorbents were performed using thermal extraction combined with cold vapor atomic fluorescence spectroscopy (CVAFS), allowing direct measurement of the RM load on the substrates. Laboratory measurements of the gas-particle partitioning coefficients of RM to atmospheric aerosol particles revealed a strong dependence on aerosol composition, with partitioning coefficients that varied by orders of magnitude depending on the composition of the particles. Particles of sodium nitrate and the chlorides of potassium and sodium had high partitioning coefficients, shifting the RM partitioning toward the particle phase, while ammonium sulfate, levoglucosan, and adipic acid caused the RM to partition toward the gas phase and, therefore, had partitioning coefficients that were lower by orders of magnitude.

  9. Developing Key Parameters for Green Performance of Partition Wall Blocks

    Directory of Open Access Journals (Sweden)

    Goh Cheng Siew

    2016-01-01

    Full Text Available To promote sustainable construction, it is important to consider green performance of construction materials throughout the life cycle. Selecting inappropriate materials could not only affect the functional performance but also preclude the achievement of green building performance as a whole. Green performance of construction materials has therefore been one of the primary considerations of green building assessment systems. Using partition wall blocks as an example, this paper examines green performance of building materials primarily from the cradle to gate boundaries. Nine key parameters are proposed for the green performance of partition wall blocks. Apart from environmental features, technical performance of partition wall blocks is also taken into consideration since it is the determinant of the lifecycle performance. This paper offers a roadmap to decision makers to make environmentally responsible choices for their materials of internal walls and partitions, and hence provides a potential sustainable solution for green buildings.

  10. Functionalized anatomical models for EM-neuron Interaction modeling

    Science.gov (United States)

    Neufeld, Esra; Cassará, Antonino Mario; Montanaro, Hazael; Kuster, Niels; Kainz, Wolfgang

    2016-06-01

    The understanding of interactions between electromagnetic (EM) fields and nerves are crucial in contexts ranging from therapeutic neurostimulation to low frequency EM exposure safety. To properly consider the impact of in vivo induced field inhomogeneity on non-linear neuronal dynamics, coupled EM-neuronal dynamics modeling is required. For that purpose, novel functionalized computable human phantoms have been developed. Their implementation and the systematic verification of the integrated anisotropic quasi-static EM solver and neuronal dynamics modeling functionality, based on the method of manufactured solutions and numerical reference data, is described. Electric and magnetic stimulation of the ulnar and sciatic nerve were modeled to help understanding a range of controversial issues related to the magnitude and optimal determination of strength-duration (SD) time constants. The results indicate the importance of considering the stimulation-specific inhomogeneous field distributions (especially at tissue interfaces), realistic models of non-linear neuronal dynamics, very short pulses, and suitable SD extrapolation models. These results and the functionalized computable phantom will influence and support the development of safe and effective neuroprosthetic devices and novel electroceuticals. Furthermore they will assist the evaluation of existing low frequency exposure standards for the entire population under all exposure conditions.

  11. Hawk: A Runtime System for Partitioned Objects

    NARCIS (Netherlands)

    Ben Hassen, S.; Bal, H.E.; Tanenbaum, A.S.

    1997-01-01

    Hawk is a language-independent runtime system for writing data-parallel programs using partitioned objects. A partitioned object is a multidimensional array of elements that can be partitioned and distributed by the programmer. The Hawk runtime system uses the user-defined partitioning of objects

  12. Neuromuscular partitioning, architectural design, and myosin fiber types of the M. vastus lateralis of the llama (Lama glama).

    Science.gov (United States)

    Graziotti, Guillermo H; Palencia, Pablo; Delhon, Gustavo; Rivero, José-Luis L

    2004-11-01

    The llama (Lama glama) is one of the few mammals of relatively large body size in which three fast myosin heavy chain isoforms (i.e., IIA, IIX, IIB) are extensively expressed in their locomotory muscles. This study was designed to gain insight into the morphological and functional organization of skeletal musculature in this peculiar animal model. The neuromuscular partitioning, architectural design, and myosin fiber types were systematically studied in the M. vastus lateralis of adult llamas (n = 15). Four nonoverlapping neuromuscular partitions or compartments were identified macroscopically (using a modified Sihler's technique for muscle depigmentation), although they did not conform strictly to the definitions of "neuromuscular compartments." Each neuromuscular partition was innervated by primary branches of the femoral nerve and was arranged within the muscle as paired partitions, two in parallel (deep-superficial compartmentalization) and the other two in-series (proximo-distal compartmentalization). These neuromuscular partitions of the muscle varied in their respective architectural designs (studied after partial digestion with diluted nitric acid) and myosin fiber type characteristics (identified immunohistochemically with specific anti-myosin monoclonal antibodies, then examined by quantitative histochemistry and image analysis). The deep partitions of the muscle had longer fibers, with lower angles of pinnation, and higher percentages of fast-glycolytic fibers than the superficial partitions of the muscle. These differences clearly suggest a division of labor in the whole M. vastus lateralis of llamas, with deep partitions exhibiting features well adapted for dynamic activities in the extension of stifle, whereas superficial portions seem to be related to the antigravitational role of the muscle in preserving the extension of the stifle during standing and stance phase of the stride. This peculiar structural and functional organization of the llama M

  13. Determination of Partition coefficients for a Mixture of Volatile Organic Compounds in Rats and Humans at Different Life Stages

    National Research Council Canada - National Science Library

    Mahle, Deidre A; Gearhart, Jeffrey M; Godfrey, Richard J; Mattie, David R; Cook, Robert S; Grisby, Claude C

    2004-01-01

    .... Partition coefficients (PCs) are an integral component of pharmacokinetic models and determining differences in tissue partitioning of volatile organic chemicals across life stages can help reduce the uncertainty in risk assessment...

  14. Mass functions from the excursion set model

    Science.gov (United States)

    Hiotelis, Nicos; Del Popolo, Antonino

    2017-11-01

    Aims: We aim to study the stochastic evolution of the smoothed overdensity δ at scale S of the form δ(S) = ∫0S K(S,u)dW(u), where K is a kernel and dW is the usual Wiener process. Methods: For a Gaussian density field, smoothed by the top-hat filter, in real space, we used a simple kernel that gives the correct correlation between scales. A Monte Carlo procedure was used to construct random walks and to calculate first crossing distributions and consequently mass functions for a constant barrier. Results: We show that the evolution considered here improves the agreement with the results of N-body simulations relative to analytical approximations which have been proposed from the same problem by other authors. In fact, we show that an evolution which is fully consistent with the ideas of the excursion set model, describes accurately the mass function of dark matter haloes for values of ν ≤ 1 and underestimates the number of larger haloes. Finally, we show that a constant threshold of collapse, lower than it is usually used, it is able to produce a mass function which approximates the results of N-body simulations for a variety of redshifts and for a wide range of masses. Conclusions: A mass function in good agreement with N-body simulations can be obtained analytically using a lower than usual constant collapse threshold.

  15. METHOD OF GREEN FUNCTIONS IN MATHEMATICAL MODELLING FOR TWO-POINT BOUNDARY-VALUE PROBLEMS

    Directory of Open Access Journals (Sweden)

    E. V. Dikareva

    2015-01-01

    Full Text Available Summary. In many applied problems of control, optimization, system theory, theoretical and construction mechanics, for problems with strings and nods structures, oscillation theory, theory of elasticity and plasticity, mechanical problems connected with fracture dynamics and shock waves, the main instrument for study these problems is a theory of high order ordinary differential equations. This methodology is also applied for studying mathematical models in graph theory with different partitioning based on differential equations. Such equations are used for theoretical foundation of mathematical models but also for constructing numerical methods and computer algorithms. These models are studied with use of Green function method. In the paper first necessary theoretical information is included on Green function method for multi point boundary-value problems. The main equation is discussed, notions of multi-point boundary conditions, boundary functionals, degenerate and non-degenerate problems, fundamental matrix of solutions are introduced. In the main part the problem to study is formulated in terms of shocks and deformations in boundary conditions. After that the main results are formulated. In theorem 1 conditions for existence and uniqueness of solutions are proved. In theorem 2 conditions are proved for strict positivity and equal measureness for a pair of solutions. In theorem 3 existence and estimates are proved for the least eigenvalue, spectral properties and positivity of eigenfunctions. In theorem 4 the weighted positivity is proved for the Green function. Some possible applications are considered for a signal theory and transmutation operators.

  16. REE Partitioning in Lunar Minerals

    Science.gov (United States)

    Rapp, J. F.; Lapen, T. J.; Draper, D. S.

    2015-01-01

    Rare earth elements (REE) are an extremely useful tool in modeling lunar magmatic processes. Here we present the first experimentally derived plagioclase/melt partition coefficients in lunar compositions covering the entire suite of REE. Positive europium anomalies are ubiquitous in the plagioclase-rich rocks of the lunar highlands, and complementary negative Eu anomalies are found in most lunar basalts. These features are taken as evidence of a large-scale differentiation event, with crystallization of a global-scale lunar magma ocean (LMO) resulting in a plagioclase flotation crust and a mafic lunar interior from which mare basalts were subsequently derived. However, the extent of the Eu anomaly in lunar rocks is variable. Fagan and Neal [1] reported highly anorthitic plagioclase grains in lunar impact melt rock 60635,19 that displayed negative Eu anomalies as well as the more usual positive anomalies. Indeed some grains in the sample are reported to display both positive and negative anomalies. Judging from cathodoluminescence images, these anomalies do not appear to be associated with crystal overgrowths or zones.

  17. Minimum nonuniform graph partitioning with unrelated weights

    Science.gov (United States)

    Makarychev, K. S.; Makarychev, Yu S.

    2017-12-01

    We give a bi-criteria approximation algorithm for the Minimum Nonuniform Graph Partitioning problem, recently introduced by Krauthgamer, Naor, Schwartz and Talwar. In this problem, we are given a graph G=(V,E) and k numbers ρ_1,\\dots, ρ_k. The goal is to partition V into k disjoint sets (bins) P_1,\\dots, P_k satisfying \\vert P_i\\vert≤ ρi \\vert V\\vert for all i, so as to minimize the number of edges cut by the partition. Our bi-criteria algorithm gives an O(\\sqrt{log \\vert V\\vert log k}) approximation for the objective function in general graphs and an O(1) approximation in graphs excluding a fixed minor. The approximate solution satisfies the relaxed capacity constraints \\vert P_i\\vert ≤ (5+ \\varepsilon)ρi \\vert V\\vert. This algorithm is an improvement upon the O(log \\vert V\\vert)-approximation algorithm by Krauthgamer, Naor, Schwartz and Talwar. We extend our results to the case of 'unrelated weights' and to the case of 'unrelated d-dimensional weights'. A preliminary version of this work was presented at the 41st International Colloquium on Automata, Languages and Programming (ICALP 2014). Bibliography: 7 titles.

  18. A novel partitioning method for block-structured adaptive meshes

    Science.gov (United States)

    Fu, Lin; Litvinov, Sergej; Hu, Xiangyu Y.; Adams, Nikolaus A.

    2017-07-01

    We propose a novel partitioning method for block-structured adaptive meshes utilizing the meshless Lagrangian particle concept. With the observation that an optimum partitioning has high analogy to the relaxation of a multi-phase fluid to steady state, physically motivated model equations are developed to characterize the background mesh topology and are solved by multi-phase smoothed-particle hydrodynamics. In contrast to well established partitioning approaches, all optimization objectives are implicitly incorporated and achieved during the particle relaxation to stationary state. Distinct partitioning sub-domains are represented by colored particles and separated by a sharp interface with a surface tension model. In order to obtain the particle relaxation, special viscous and skin friction models, coupled with a tailored time integration algorithm are proposed. Numerical experiments show that the present method has several important properties: generation of approximately equal-sized partitions without dependence on the mesh-element type, optimized interface communication between distinct partitioning sub-domains, continuous domain decomposition which is physically localized and implicitly incremental. Therefore it is particularly suitable for load-balancing of high-performance CFD simulations.

  19. A novel partitioning method for block-structured adaptive meshes

    Energy Technology Data Exchange (ETDEWEB)

    Fu, Lin, E-mail: lin.fu@tum.de; Litvinov, Sergej, E-mail: sergej.litvinov@aer.mw.tum.de; Hu, Xiangyu Y., E-mail: xiangyu.hu@tum.de; Adams, Nikolaus A., E-mail: nikolaus.adams@tum.de

    2017-07-15

    We propose a novel partitioning method for block-structured adaptive meshes utilizing the meshless Lagrangian particle concept. With the observation that an optimum partitioning has high analogy to the relaxation of a multi-phase fluid to steady state, physically motivated model equations are developed to characterize the background mesh topology and are solved by multi-phase smoothed-particle hydrodynamics. In contrast to well established partitioning approaches, all optimization objectives are implicitly incorporated and achieved during the particle relaxation to stationary state. Distinct partitioning sub-domains are represented by colored particles and separated by a sharp interface with a surface tension model. In order to obtain the particle relaxation, special viscous and skin friction models, coupled with a tailored time integration algorithm are proposed. Numerical experiments show that the present method has several important properties: generation of approximately equal-sized partitions without dependence on the mesh-element type, optimized interface communication between distinct partitioning sub-domains, continuous domain decomposition which is physically localized and implicitly incremental. Therefore it is particularly suitable for load-balancing of high-performance CFD simulations.

  20. Development of partitioning method : cold experiment with partitioning test facility in NUCEF (I)

    International Nuclear Information System (INIS)

    Yamaguchi, Isoo; Morita, Yasuji; Kondo, Yasuo

    1996-03-01

    A test facility in which about 1.85 x 10 14 Bq of high-level liquid waste can be treated has been completed in 1994 at Nuclear Fuel Cycle Safety Engineering Research Facility (NUCEF) for research and development of Partitioning Method. The outline of the partitioning test facility and support equipments for it which were design terms, constructions, arrangements, functions and inspections were given in JAERI-Tech 94-030. The present report describes the results of the water transfer test and partitioning tests, which are methods of precipitation by denitration, oxalate precipitation, solvent extraction, and adsorption with inorganic ion exchanger, using nitric acid to master operation method of the test facility. As often as issues related to equipments occurred during the tests, they were improved. As to issues related to processes such as being stopped up of columns, their measures of solution were found by testing in laboratories. They were reflected in operation of the Partitioning Test Facility. Their particulars and improving points were described in this report. (author)

  1. Electricity price forecasting through transfer function models

    International Nuclear Information System (INIS)

    Nogales, F.J.; Conejo, A.J.

    2006-01-01

    Forecasting electricity prices in present day competitive electricity markets is a must for both producers and consumers because both need price estimates to develop their respective market bidding strategies. This paper proposes a transfer function model to predict electricity prices based on both past electricity prices and demands, and discuss the rationale to build it. The importance of electricity demand information is assessed. Appropriate metrics to appraise prediction quality are identified and used. Realistic and extensive simulations based on data from the PJM Interconnection for year 2003 are conducted. The proposed model is compared with naive and other techniques. Journal of the Operational Research Society (2006) 57, 350-356.doi:10.1057/palgrave.jors.2601995; published online 18 May 2005. (author)

  2. Signed distance function implicit geologic modeling

    Directory of Open Access Journals (Sweden)

    Roberto Mentzingen Rolo

    Full Text Available Abstract Prior to every geostatistical estimation or simulation study there is a need for delimiting the geologic domains of the deposit, which is traditionally done manually by a geomodeler in a laborious, time consuming and subjective process. For this reason, novel techniques referred to as implicit modelling have appeared. These techniques provide algorithms that replace the manual digitization process of the traditional methods by some form of automatic procedure. This paper covers a few well established implicit methods currently available with special attention to the signed distance function methodology. A case study based on a real dataset was performed and its applicability discussed. Although it did not replace an experienced geomodeler, the method proved to be capable in creating semi-automatic geological models from the sampling data, especially in the early stages of exploration.

  3. Vertical partitioning of relational OLTP databases using integer programming

    DEFF Research Database (Denmark)

    Amossen, Rasmus Resen

    2010-01-01

    A way to optimize performance of relational row store databases is to reduce the row widths by vertically partition- ing tables into table fractions in order to minimize the number of irrelevant columns/attributes read by each transaction. This pa- per considers vertical partitioning algorithms...... for relational row- store OLTP databases with an H-store-like architecture, meaning that we would like to maximize the number of single-sited transactions. We present a model for the vertical partitioning problem that, given a schema together with a vertical partitioning and a workload, estimates the costs...... applied to the TPC-C benchmark and the heuristic is shown to obtain solutions with costs close to the ones found using the quadratic program....

  4. Time Domain Partitioning of Electricity Production Cost Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Barrows, C. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Hummon, M. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Jones, W. [National Renewable Energy Lab. (NREL), Golden, CO (United States); Hale, E. [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2014-01-01

    Production cost models are often used for planning by simulating power system operations over long time horizons. The simulation of a day-ahead energy market can take several weeks to compute. Tractability improvements are often made through model simplifications, such as: reductions in transmission modeling detail, relaxation of commitment variable integrality, reductions in cost modeling detail, etc. One common simplification is to partition the simulation horizon so that weekly or monthly horizons can be simulated in parallel. However, horizon partitions are often executed with overlap periods of arbitrary and sometimes zero length. We calculate the time domain persistence of historical unit commitment decisions to inform time domain partitioning of production cost models. The results are implemented using PLEXOS production cost modeling software in an HPC environment to improve the computation time of simulations while maintaining solution integrity.

  5. LMI-based stability analysis of fuzzy-model-based control systems using approximated polynomial membership functions.

    Science.gov (United States)

    Narimani, Mohammand; Lam, H K; Dilmaghani, R; Wolfe, Charles

    2011-06-01

    Relaxed linear-matrix-inequality-based stability conditions for fuzzy-model-based control systems with imperfect premise matching are proposed. First, the derivative of the Lyapunov function, containing the product terms of the fuzzy model and fuzzy controller membership functions, is derived. Then, in the partitioned operating domain of the membership functions, the relations between the state variables and the mentioned product terms are represented by approximated polynomials in each subregion. Next, the stability conditions containing the information of all subsystems and the approximated polynomials are derived. In addition, the concept of the S-procedure is utilized to release the conservativeness caused by considering the whole operating region for approximated polynomials. It is shown that the well-known stability conditions can be special cases of the proposed stability conditions. Simulation examples are given to illustrate the validity of the proposed approach.

  6. Medicare capitation model, functional status, and multiple comorbidities: model accuracy

    Science.gov (United States)

    Noyes, Katia; Liu, Hangsheng; Temkin-Greener, Helena

    2012-01-01

    Objective This study examined financial implications of CMS-Hierarchical Condition Categories (HCC) risk-adjustment model on Medicare payments for individuals with comorbid chronic conditions. Study Design The study used 1992-2000 data from the Medicare Current Beneficiary Survey and corresponding Medicare claims. The pairs of comorbidities were formed based on the prior evidence about possible synergy between these conditions and activities of daily living (ADL) deficiencies and included heart disease and cancer, lung disease and cancer, stroke and hypertension, stroke and arthritis, congestive heart failure (CHF) and osteoporosis, diabetes and coronary artery disease, CHF and dementia. Methods For each beneficiary, we calculated the actual Medicare cost ratio as the ratio of the individual’s annualized costs to the mean annual Medicare cost of all people in the study. The actual Medicare cost ratios, by ADLs, were compared to the HCC ratios under the CMS-HCC payment model. Using multivariate regression models, we tested whether having the identified pairs of comorbidities affects the accuracy of CMS-HCC model predictions. Results The CMS-HCC model underpredicted Medicare capitation payments for patients with hypertension, lung disease, congestive heart failure and dementia. The difference between the actual costs and predicted payments was partially explained by beneficiary functional status and less than optimal adjustment for these chronic conditions. Conclusions Information about beneficiary functional status should be incorporated in reimbursement models since underpaying providers for caring for population with multiple comorbidities may provide severe disincentives for managed care plans to enroll such individuals and to appropriately manage their complex and costly conditions. PMID:18837646

  7. Correlation Functions in Holographic Minimal Models

    CERN Document Server

    Papadodimas, Kyriakos

    2012-01-01

    We compute exact three and four point functions in the W_N minimal models that were recently conjectured to be dual to a higher spin theory in AdS_3. The boundary theory has a large number of light operators that are not only invisible in the bulk but grow exponentially with N even at small conformal dimensions. Nevertheless, we provide evidence that this theory can be understood in a 1/N expansion since our correlators look like free-field correlators corrected by a power series in 1/N . However, on examining these corrections we find that the four point function of the two bulk scalar fields is corrected at leading order in 1/N through the contribution of one of the additional light operators in an OPE channel. This suggests that, to correctly reproduce even tree-level correlators on the boundary, the bulk theory needs to be modified by the inclusion of additional fields. As a technical by-product of our analysis, we describe two separate methods -- including a Coulomb gas type free-field formalism -- that ...

  8. Analysis of load balance in hybrid partitioning | Talib | Botswana ...

    African Journals Online (AJOL)

    In information retrieval systems, there are three types of index partitioning schemes - term partitioning, document partitioning, and hybrid partitioning. The hybrid-partitioning scheme combines both term and document partitioning schemes. Term partitioning provides high concurrency, which means that queries can be ...

  9. Dynamics of vacuum-sealed, double-leaf partitions

    Science.gov (United States)

    Kavanaugh, Joshua Stephen

    The goal of this research is to investigate the feasibility and potential effectiveness of using vacuum-sealed, double-leaf partitions for applications in noise control. Substantial work has been done previously on double-leaf partitions where the acoustics of the inner chamber and mechanical vibrations of structural supports are passively and actively controlled. The work presented here is unique in that the proposed system aims to eliminate the need for active acoustic control of transmitted acoustic energy by removing all the air between the two panels of the double partition. Therefore, the only remaining energy paths would be along the boundary and at the points where there are intermediate structural supports connecting the two panels. The eventual goal of the research is to develop a high-loss double-leaf partition that simplifies active control by removing the need for control of the air cavity and channeling all the energy into discrete structural paths. The work presented here is a first step towards the goal of designing a high-loss, actively-controlled double-leaf partition with an air-evacuated inner chamber. One experiment is conducted to investigate the effects of various levels of vacuum on the response of a double-leaf partition whose panels are mechanically coupled only at the boundary. Another experiment is conducted which investigates the effect of changing the stiffness of an intermediate support coupling the two panels of a double-leaf partition in which a vacuum has been applied to the inner cavity. The available equipment was able to maintain a 99% vacuum between the panels. Both experiments are accompanied by analytical models used to investigate the importance of various dynamic parameters. Results show that the vacuum-sealed system shows some potential for increased transmission loss, primarily by the changing the natural frequencies of the double-leaf partition.

  10. The part-frequency matrices of a partition

    Directory of Open Access Journals (Sweden)

    William J. Keith

    2016-09-01

    Full Text Available A new combinatorial object is introduced, the part-frequency matrix sequence of a partition, whichis elementary to describe and is naturally motivated by Glaisher’s bijection. We prove results thatsuggest surprising usefulness for such a simple tool, including the existence of a related statistic thatrealizes every possible Ramanujan-type congruence for the partition function. To further exhibit itsresearch utility, we give an easy generalization of a theorem of Andrews, Dixit and Yee [1] on the mocktheta functions. Throughout, we state a number of observations and questions that can motivate anarray of investigations.

  11. Probabilistic Decision Based Block Partitioning for Future Video Coding

    KAUST Repository

    Wang, Zhao

    2017-11-29

    In the latest Joint Video Exploration Team development, the quadtree plus binary tree (QTBT) block partitioning structure has been proposed for future video coding. Compared to the traditional quadtree structure of High Efficiency Video Coding (HEVC) standard, QTBT provides more flexible patterns for splitting the blocks, which results in dramatically increased combinations of block partitions and high computational complexity. In view of this, a confidence interval based early termination (CIET) scheme is proposed for QTBT to identify the unnecessary partition modes in the sense of rate-distortion (RD) optimization. In particular, a RD model is established to predict the RD cost of each partition pattern without the full encoding process. Subsequently, the mode decision problem is casted into a probabilistic framework to select the final partition based on the confidence interval decision strategy. Experimental results show that the proposed CIET algorithm can speed up QTBT block partitioning structure by reducing 54.7% encoding time with only 1.12% increase in terms of bit rate. Moreover, the proposed scheme performs consistently well for the high resolution sequences, of which the video coding efficiency is crucial in real applications.

  12. High Pressure/Temperature Metal Silicate Partitioning of Tungsten

    Science.gov (United States)

    Shofner, G. A.; Danielson, L.; Righter, K.; Campbell, A. J.

    2010-01-01

    The behavior of chemical elements during metal/silicate segregation and their resulting distribution in Earth's mantle and core provide insight into core formation processes. Experimental determination of partition coefficients allows calculations of element distributions that can be compared to accepted values of element abundances in the silicate (mantle) and metallic (core) portions of the Earth. Tungsten (W) is a moderately siderophile element and thus preferentially partitions into metal versus silicate under many planetary conditions. The partitioning behavior has been shown to vary with temperature, silicate composition, oxygen fugacity, and pressure. Most of the previous work on W partitioning has been conducted at 1-bar conditions or at relatively low pressures, i.e. pressure. Predictions based on extrapolation of existing data and parameterizations suggest an increased pressured dependence on metal/ silicate partitioning of W at higher pressures 5. However, the dependence on pressure is not as well constrained as T, fO2, and silicate composition. This poses a problem because proposed equilibration pressures for core formation range from 27 to 50 GPa, falling well outside the experimental range, therefore requiring exptrapolation of a parametereized model. Higher pressure data are needed to improve our understanding of W partitioning at these more extreme conditions.

  13. Functional Validation of Heteromeric Kainate Receptor Models.

    Science.gov (United States)

    Paramo, Teresa; Brown, Patricia M G E; Musgaard, Maria; Bowie, Derek; Biggin, Philip C

    2017-11-21

    Kainate receptors require the presence of external ions for gating. Most work thus far has been performed on homomeric GluK2 but, in vivo, kainate receptors are likely heterotetramers. Agonists bind to the ligand-binding domain (LBD) which is arranged as a dimer of dimers as exemplified in homomeric structures, but no high-resolution structure currently exists of heteromeric kainate receptors. In a full-length heterotetramer, the LBDs could potentially be arranged either as a GluK2 homomer alongside a GluK5 homomer or as two GluK2/K5 heterodimers. We have constructed models of the LBD dimers based on the GluK2 LBD crystal structures and investigated their stability with molecular dynamics simulations. We have then used the models to make predictions about the functional behavior of the full-length GluK2/K5 receptor, which we confirmed via electrophysiological recordings. A key prediction and observation is that lithium ions bind to the dimer interface of GluK2/K5 heteromers and slow their desensitization. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  14. Numerical model of the influence function of deformable mirrors based on Bessel Fourier orthogonal functions

    International Nuclear Information System (INIS)

    Li Shun; Zhang Sijiong

    2014-01-01

    A numerical model is presented to simulate the influence function of deformable mirror actuators. The numerical model is formed by Bessel Fourier orthogonal functions, which are constituted of Bessel orthogonal functions and a Fourier basis. A detailed comparison is presented between the new Bessel Fourier model, the Zernike model, the Gaussian influence function and the modified Gaussian influence function. Numerical experiments indicate that the new numerical model is easy to use and more accurate compared with other numerical models. The new numerical model can be used for describing deformable mirror performances and numerical simulations of adaptive optics systems. (research papers)

  15. Partition Functions for Supersymmetric Black Holes

    NARCIS (Netherlands)

    Manschot, Jan

    2008-01-01

    Dit proefschrift presenteert recente ontdekkingen voor partitiefuncties van vierdimensionale zwarte gaten. Deze partitiefuncties zijn belangrijke instrumenten om de entropie van zwarte gaten microscopisch te verklaren in snaartheorie en M-theorie. De resultaten zijn toegepast in twee centrale

  16. A data-driven approach to reverse engineering customer engagement models: towards functional constructs.

    Directory of Open Access Journals (Sweden)

    Natalie Jane de Vries

    Full Text Available Online consumer behavior in general and online customer engagement with brands in particular, has become a major focus of research activity fuelled by the exponential increase of interactive functions of the internet and social media platforms and applications. Current research in this area is mostly hypothesis-driven and much debate about the concept of Customer Engagement and its related constructs remains existent in the literature. In this paper, we aim to propose a novel methodology for reverse engineering a consumer behavior model for online customer engagement, based on a computational and data-driven perspective. This methodology could be generalized and prove useful for future research in the fields of consumer behaviors using questionnaire data or studies investigating other types of human behaviors. The method we propose contains five main stages; symbolic regression analysis, graph building, community detection, evaluation of results and finally, investigation of directed cycles and common feedback loops. The 'communities' of questionnaire items that emerge from our community detection method form possible 'functional constructs' inferred from data rather than assumed from literature and theory. Our results show consistent partitioning of questionnaire items into such 'functional constructs' suggesting the method proposed here could be adopted as a new data-driven way of human behavior modeling.

  17. A data-driven approach to reverse engineering customer engagement models: towards functional constructs.

    Science.gov (United States)

    de Vries, Natalie Jane; Carlson, Jamie; Moscato, Pablo

    2014-01-01

    Online consumer behavior in general and online customer engagement with brands in particular, has become a major focus of research activity fuelled by the exponential increase of interactive functions of the internet and social media platforms and applications. Current research in this area is mostly hypothesis-driven and much debate about the concept of Customer Engagement and its related constructs remains existent in the literature. In this paper, we aim to propose a novel methodology for reverse engineering a consumer behavior model for online customer engagement, based on a computational and data-driven perspective. This methodology could be generalized and prove useful for future research in the fields of consumer behaviors using questionnaire data or studies investigating other types of human behaviors. The method we propose contains five main stages; symbolic regression analysis, graph building, community detection, evaluation of results and finally, investigation of directed cycles and common feedback loops. The 'communities' of questionnaire items that emerge from our community detection method form possible 'functional constructs' inferred from data rather than assumed from literature and theory. Our results show consistent partitioning of questionnaire items into such 'functional constructs' suggesting the method proposed here could be adopted as a new data-driven way of human behavior modeling.

  18. Gentile statistics and restricted partitions

    Indian Academy of Sciences (India)

    In a recent paper (Tran et al, Ann. Phys. 311, 204 (2004)), some asymptotic number theoretical results on the partitioning of an integer were derived exploiting its connection to the quantum density of states of a many-particle system. We generalise these results to obtain an asymptotic formula for the restricted or coloured ...

  19. Monomial Crystals and Partition Crystals

    Science.gov (United States)

    Tingley, Peter

    2010-04-01

    Recently Fayers introduced a large family of combinatorial realizations of the fundamental crystal B(Λ0) for ^sln, where the vertices are indexed by certain partitions. He showed that special cases of this construction agree with the Misra-Miwa realization and with Berg's ladder crystal. Here we show that another special case is naturally isomorphic to a realization using Nakajima's monomial crystal.

  20. Control functions in nonseparable simultaneous equations models

    OpenAIRE

    Blundell, R.; Matzkin, R. L.

    2014-01-01

    The control function approach (Heckman and Robb (1985)) in a system of linear simultaneous equations provides a convenient procedure to estimate one of the functions in the system using reduced form residuals from the other functions as additional regressors. The conditions on the structural system under which this procedure can be used in nonlinear and nonparametric simultaneous equations has thus far been unknown. In this paper, we define a new property of functions called control function ...

  1. Function modeling: improved raster analysis through delayed reading and function raster datasets

    Science.gov (United States)

    John S. Hogland; Nathaniel M. Anderson; J .Greg Jones

    2013-01-01

    Raster modeling is an integral component of spatial analysis. However, conventional raster modeling techniques can require a substantial amount of processing time and storage space, often limiting the types of analyses that can be performed. To address this issue, we have developed Function Modeling. Function Modeling is a new modeling framework that streamlines the...

  2. Space-partition method for the variance-based sensitivity analysis: Optimal partition scheme and comparative study

    International Nuclear Information System (INIS)

    Zhai, Qingqing; Yang, Jun; Zhao, Yu

    2014-01-01

    Variance-based sensitivity analysis has been widely studied and asserted itself among practitioners. Monte Carlo simulation methods are well developed in the calculation of variance-based sensitivity indices but they do not make full use of each model run. Recently, several works mentioned a scatter-plot partitioning method to estimate the variance-based sensitivity indices from given data, where a single bunch of samples is sufficient to estimate all the sensitivity indices. This paper focuses on the space-partition method in the estimation of variance-based sensitivity indices, and its convergence and other performances are investigated. Since the method heavily depends on the partition scheme, the influence of the partition scheme is discussed and the optimal partition scheme is proposed based on the minimized estimator's variance. A decomposition and integration procedure is proposed to improve the estimation quality for higher order sensitivity indices. The proposed space-partition method is compared with the more traditional method and test cases show that it outperforms the traditional one

  3. Experimental study of radium partitioning between anorthite and melt at 1 atm

    Energy Technology Data Exchange (ETDEWEB)

    Miller, S; Burnett, D; Asimow, P; Phinney, D; Hutcheon, I

    2007-03-08

    We present the first experimental radium mineral/melt partitioning data, specifically between anorthite and a CMAS melt at atmospheric pressure. Ion microprobe measurement of coexisting anorthite and glass phases produces a molar D{sub Ra} = 0.040 {+-} 0.006 and D{sub Ra}/D{sub Ba} = 0.23 {+-} 0.05 at 1400 C. Our results indicate that lattice strain partitioning models fit the divalent (Ca, Sr, Ba, Ra) partition coefficient data of this study well, supporting previous work on crustal melting and magma chamber dynamics that has relied on such models to approximate radium partitioning behavior in the absence of experimentally determined values.

  4. Cation solvation with quantum chemical effects modeled by a size-consistent multi-partitioning quantum mechanics/molecular mechanics method.

    Science.gov (United States)

    Watanabe, Hiroshi C; Kubillus, Maximilian; Kubař, Tomáš; Stach, Robert; Mizaikoff, Boris; Ishikita, Hiroshi

    2017-07-21

    In the condensed phase, quantum chemical properties such as many-body effects and intermolecular charge fluctuations are critical determinants of the solvation structure and dynamics. Thus, a quantum mechanical (QM) molecular description is required for both solute and solvent to incorporate these properties. However, it is challenging to conduct molecular dynamics (MD) simulations for condensed systems of sufficient scale when adapting QM potentials. To overcome this problem, we recently developed the size-consistent multi-partitioning (SCMP) quantum mechanics/molecular mechanics (QM/MM) method and realized stable and accurate MD simulations, using the QM potential to a benchmark system. In the present study, as the first application of the SCMP method, we have investigated the structures and dynamics of Na + , K + , and Ca 2+ solutions based on nanosecond-scale sampling, a sampling 100-times longer than that of conventional QM-based samplings. Furthermore, we have evaluated two dynamic properties, the diffusion coefficient and difference spectra, with high statistical certainty. Furthermore the calculation of these properties has not previously been possible within the conventional QM/MM framework. Based on our analysis, we have quantitatively evaluated the quantum chemical solvation effects, which show distinct differences between the cations.

  5. Mirror neurons: functions, mechanisms and models.

    Science.gov (United States)

    Oztop, Erhan; Kawato, Mitsuo; Arbib, Michael A

    2013-04-12

    Mirror neurons for manipulation fire both when the animal manipulates an object in a specific way and when it sees another animal (or the experimenter) perform an action that is more or less similar. Such neurons were originally found in macaque monkeys, in the ventral premotor cortex, area F5 and later also in the inferior parietal lobule. Recent neuroimaging data indicate that the adult human brain is endowed with a "mirror neuron system," putatively containing mirror neurons and other neurons, for matching the observation and execution of actions. Mirror neurons may serve action recognition in monkeys as well as humans, whereas their putative role in imitation and language may be realized in human but not in monkey. This article shows the important role of computational models in providing sufficient and causal explanations for the observed phenomena involving mirror systems and the learning processes which form them, and underlines the need for additional circuitry to lift up the monkey mirror neuron circuit to sustain the posited cognitive functions attributed to the human mirror neuron system. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

  6. Theory of partitioning of disease prevalence and mortality in observational data.

    Science.gov (United States)

    Akushevich, I; Yashkin, A P; Kravchenko, J; Fang, F; Arbeev, K; Sloan, F; Yashin, A I

    2017-04-01

    In this study, we present a new theory of partitioning of disease prevalence and incidence-based mortality and demonstrate how this theory practically works for analyses of Medicare data. In the theory, the prevalence of a disease and incidence-based mortality are modeled in terms of disease incidence and survival after diagnosis supplemented by information on disease prevalence at the initial age and year available in a dataset. Partitioning of the trends of prevalence and mortality is calculated with minimal assumptions. The resulting expressions for the components of the trends are given by continuous functions of data. The estimator is consistent and stable. The developed methodology is applied for data on type 2 diabetes using individual records from a nationally representative 5% sample of Medicare beneficiaries age 65+. Numerical estimates show excellent concordance between empirical estimates and theoretical predictions. Evaluated partitioning model showed that both prevalence and mortality increase with time. The primary driving factors of the observed prevalence increase are improved survival and increased prevalence at age 65. The increase in diabetes-related mortality is driven by increased prevalence and unobserved trends in time-periods and age-groups outside of the range of the data used in the study. Finally, the properties of the new estimator, possible statistical and systematical uncertainties, and future practical applications of this methodology in epidemiology, demography, public health and health forecasting are discussed. Copyright © 2017 Elsevier Inc. All rights reserved.

  7. On the conversion of functional models : Bridging differences between functional taxonomies in the modeling of user actions

    NARCIS (Netherlands)

    Van Eck, D.

    2009-01-01

    In this paper, I discuss a methodology for the conversion of functional models between functional taxonomies developed by Kitamura et al. (2007) and Ookubo et al. (2007). They apply their methodology to the conversion of functional models described in terms of the Functional Basis taxonomy into

  8. School Teams up for SSP Functional Models

    Science.gov (United States)

    Pignolet, G.; Lallemand, R.; Celeste, A.; von Muldau, H.

    2002-01-01

    Space Solar Power systems appear increasingly as one of the major solutions to the upcoming global energy crisis, by collecting solar energy in space where this is most easy, and sending it by microwave beam to the surface of the planet, where the need for controlled energy is located. While fully operational systems are still decades away, the need for major development efforts is with us now. Yet, for many decision-makers and for most of the public, SSP often still sounds like science fiction. Six functional demonstration systems, based on the Japanese SPS-2000 concept, have been built as a result of a cooperation between France and Japan, and they are currently used extensively, in Japan, in Europe and in North America, for executive presentations as well as for public exhibitions. There is demand for more models, both for science museums and for use by energy dedicated groups, and a senior high school in La Reunion, France, has picked up the challenge to make the production of such models an integrated practical school project for pre-college students. In December 2001, the administration and the teachers of the school have evaluated the feasibility of the project and eventually taken the go decision for the school year 2002- 2003, when for education purposes a temporary "school business company" will be incorporated with the goal to study and manufacture a limited series of professional quality SSP demonstration models, and to sell them world- wide to institutions and advocacy groups concerned with energy problems and with the environment. The different sections of the school will act as the different services of an integrated business : based on the current existing models, the electronic section will redesign the energy management system and the microwave projector module, while the mechanical section of the school will adapt and re-conceive the whole packaging of the demonstrator. The French and foreign language sections will write up a technical manual for

  9. Partitioning in P-T concept

    International Nuclear Information System (INIS)

    Zhang Peilu; Qi Zhanshun; Zhu Zhixuan

    2000-01-01

    Comparison of dry- and water-method for partitioning fission products and minor actinides from the spent fuels, and description of advance of dry-method were done. Partitioning process, some typical concept and some results of dry-method were described. The problems fond in dry-method up to now were pointed out. The partitioning study program was suggested

  10. The partitioning of uranium and neptunium onto hydrothermally altered concrete

    International Nuclear Information System (INIS)

    Zhao, P.; Allen, P.G.; Sylwester, E.R.; Viani, B.E.

    2000-01-01

    Partition coefficients (K d ) of U(VI) and Np(V) on untreated and hydrothermally altered concrete were measured in 0.01 M NaCl and 0.01 M NaHCO 3 solutions as functions of concentration of the radionuclides, pH, and time. The partition coefficients for both U(VI) and Np(V) on hydrothermally altered concrete are significantly lower than those on untreated concrete. The partition of both U(VI) and Np(V) are pH dependent, although the pH dependence does not appear to reflect precipitation of U and Np-bearing phases. Both sorption and precipitation are likely processes controlling partitioning of U to concrete; sorption is the most likely process controlling the partitioning of Np to concrete. The presence of 0.01 M carbonate species in solution decreases K d of U(VI) for both hydrothermally altered and untreated concrete from ≥ 10 4 mL/g to ∝ 400 to 1000 mL/g indicating a significant impact on U(VI) sorption. In contrast, the presence of carbonate only reduced the K d of Np(V) by one order of magnitude or less. X-ray absorption spectroscopy analysis of U/concrete mixtures at different pHs and times indicate that uranyl ions are partitioned as monomeric species on untreated concrete, but oligomeric species on hydrothermally altered concrete. Similar analysis of Np/concrete mixtures shows that about half of the partitioned Np(V) is reduced to Np(IV) over a period of 6 months. (orig.)

  11. Integral formula for elliptic SOS models with domain walls and a reflecting end

    Energy Technology Data Exchange (ETDEWEB)

    Lamers, Jules, E-mail: j.lamers@uu.nl

    2015-12-15

    In this paper we extend previous work of Galleas and the author to elliptic SOS models. We demonstrate that the dynamical reflection algebra can be exploited to obtain a functional equation characterizing the partition function of an elliptic SOS model with domain-wall boundaries and one reflecting end. Special attention is paid to the structure of the functional equation. Through this approach we find a novel multiple-integral formula for that partition function.

  12. A Statistical Model of Current Loops and Magnetic Monopoles

    International Nuclear Information System (INIS)

    Ayyer, Arvind

    2015-01-01

    We formulate a natural model of loops and isolated vertices for arbitrary planar graphs, which we call the monopole-dimer model. We show that the partition function of this model can be expressed as a determinant. We then extend the method of Kasteleyn and Temperley-Fisher to calculate the partition function exactly in the case of rectangular grids. This partition function turns out to be a square of a polynomial with positive integer coefficients when the grid lengths are even. Finally, we analyse this formula in the infinite volume limit and show that the local monopole density, free energy and entropy can be expressed in terms of well-known elliptic functions. Our technique is a novel determinantal formula for the partition function of a model of isolated vertices and loops for arbitrary graphs

  13. Partition-based discrete-time quantum walks

    Science.gov (United States)

    Konno, Norio; Portugal, Renato; Sato, Iwao; Segawa, Etsuo

    2018-04-01

    We introduce a family of discrete-time quantum walks, called two-partition model, based on two equivalence-class partitions of the computational basis, which establish the notion of local dynamics. This family encompasses most versions of unitary discrete-time quantum walks driven by two local operators studied in literature, such as the coined model, Szegedy's model, and the 2-tessellable staggered model. We also analyze the connection of those models with the two-step coined model, which is driven by the square of the evolution operator of the standard discrete-time coined walk. We prove formally that the two-step coined model, an extension of Szegedy model for multigraphs, and the two-tessellable staggered model are unitarily equivalent. Then, selecting one specific model among those families is a matter of taste not generality.

  14. Radio Wave Propagation Scene Partitioning for High-Speed Rails

    Directory of Open Access Journals (Sweden)

    Bo Ai

    2012-01-01

    Full Text Available Radio wave propagation scene partitioning is necessary for wireless channel modeling. As far as we know, there are no standards of scene partitioning for high-speed rail (HSR scenarios, and therefore we propose the radio wave propagation scene partitioning scheme for HSR scenarios in this paper. Based on our measurements along the Wuhan-Guangzhou HSR, Zhengzhou-Xian passenger-dedicated line, Shijiazhuang-Taiyuan passenger-dedicated line, and Beijing-Tianjin intercity line in China, whose operation speeds are above 300 km/h, and based on the investigations on Beijing South Railway Station, Zhengzhou Railway Station, Wuhan Railway Station, Changsha Railway Station, Xian North Railway Station, Shijiazhuang North Railway Station, Taiyuan Railway Station, and Tianjin Railway Station, we obtain an overview of HSR propagation channels and record many valuable measurement data for HSR scenarios. On the basis of these measurements and investigations, we partitioned the HSR scene into twelve scenarios. Further work on theoretical analysis based on radio wave propagation mechanisms, such as reflection and diffraction, may lead us to develop the standard of radio wave propagation scene partitioning for HSR. Our work can also be used as a basis for the wireless channel modeling and the selection of some key techniques for HSR systems.

  15. Modelling the dependability in Network Function Virtualisation

    OpenAIRE

    Lin, Wenqi

    2017-01-01

    Network Function Virtualization has been brought up to allow the TSPs to have more possibilities and flexibilities to provision services with better load optimizing, energy utilizing and dynamic scaling. Network functions will be decoupled from the underlying dedicated hardware into software instances that run on commercial off-the-shelf servers. However, the development is still at an early stage and the dependability concerns raise by the virtualization of the network functions are touched ...

  16. The partition coefficients of 133Xe between blood and bone

    International Nuclear Information System (INIS)

    Lahtinen, T.; Karjalainen, P.; Vaeaenaenen, A.; Lahtinen, R.; Alhava, E.M.

    1981-01-01

    The partition coefficients of 133 Xe between blood and haematopoietic bone marrow and homogenised bone have been determined in vitro. The partition coefficient lambda 1 corresponding to haematopoietic marrow was 0.95 ml g -1 while that corresponding to homogenised bone was a function of age, lambda 2 = 3.11 + 0.049(age)(ml g -1 ). These data can be used for calculating regional blood flow in healthy human femur by means of a simple 133 Xe radionuclide method. (author)

  17. Exact Finite Differences. The Derivative on Non Uniformly Spaced Partitions

    Directory of Open Access Journals (Sweden)

    Armando Martínez-Pérez

    2017-10-01

    Full Text Available We define a finite-differences derivative operation, on a non uniformly spaced partition, which has the exponential function as an exact eigenvector. We discuss some properties of this operator and we propose a definition for the components of a finite-differences momentum operator. This allows us to perform exact discrete calculations.

  18. Variance Function Partially Linear Single-Index Models1.

    Science.gov (United States)

    Lian, Heng; Liang, Hua; Carroll, Raymond J

    2015-01-01

    We consider heteroscedastic regression models where the mean function is a partially linear single index model and the variance function depends upon a generalized partially linear single index model. We do not insist that the variance function depend only upon the mean function, as happens in the classical generalized partially linear single index model. We develop efficient and practical estimation methods for the variance function and for the mean function. Asymptotic theory for the parametric and nonparametric parts of the model is developed. Simulations illustrate the results. An empirical example involving ozone levels is used to further illustrate the results, and is shown to be a case where the variance function does not depend upon the mean function.

  19. Partitioning sparse rectangular matrices for parallel processing

    Energy Technology Data Exchange (ETDEWEB)

    Kolda, T.G.

    1998-05-01

    The authors are interested in partitioning sparse rectangular matrices for parallel processing. The partitioning problem has been well-studied in the square symmetric case, but the rectangular problem has received very little attention. They will formalize the rectangular matrix partitioning problem and discuss several methods for solving it. They will extend the spectral partitioning method for symmetric matrices to the rectangular case and compare this method to three new methods -- the alternating partitioning method and two hybrid methods. The hybrid methods will be shown to be best.

  20. Wakefield Band Partitioning in LINAC Structures

    International Nuclear Information System (INIS)

    Jones, Roger M

    2003-01-01

    In the NLC project multiple bunches of electrons and positrons will be accelerated initially to a centre of mass of 500 GeV and later to 1 TeV or more. In the process of accelerating 192 bunches within a pulse train, wakefields are excited which kick the trailing bunches off axis and can cause luminosity dilution and BBU (Beam Break Up). Several structures to damp the wakefield have been designed and tested at SLAC and KEK and these have been found to successfully damp the wakefield [1]. However, these 2π/3 structures suffered from electrical breakdown and this has prompted us to explore lower group velocity structures operating at higher fundamental mode phase advances. The wakefield partitioning amongst the bands has been found to change markedly with increased phase advance. Here we report on general trends in the kick factor and associated wakefield band partitioning in dipole bands as a function of phase advance of the synchronous mode in linacs. These results are applicable to both TW (travelling wave) and SW (standing wave) structures

  1. A Timing-Driven Partitioning System for Multiple FPGAs

    Directory of Open Access Journals (Sweden)

    Kalapi Roy

    1996-01-01

    Full Text Available Field-programmable systems with multiple FPGAs on a PCB or an MCM are being used by system designers when a single FPGA is not sufficient. We address the problem of partitioning a large technology mapped FPGA circuit onto multiple FPGA devices of a specific target technology. The physical characteristics of the multiple FPGA system (MFS pose additional constraints to the circuit partitioning algorithms: the capacity of each FPGA, the timing constraints, the number of I/Os per FPGA, and the pre-designed interconnection patterns of each FPGA and the package. Existing partitioning techniques which minimize just the cut sizes of partitions fail to satisfy the above challenges. We therefore present a timing driven N-way partitioning algorithm based on simulated annealing for technology-mapped FPGA circuits. The signal path delays are estimated during partitioning using a timing model specific to a multiple FPGA architecture. The model combines all possible delay factors in a system with multiple FPGA chips of a target technology. Furthermore, we have incorporated a new dynamic net-weighting scheme to minimize the number of pin-outs for each chip. Finally, we have developed a graph-based global router for pin assignment which can handle the pre-routed connections of our MFS structure. In order to reduce the time spent in the simulated annealing phase of the partitioner, clusters of circuit components are identified by a new linear-time bottom-up clustering algorithm. The annealing-based N-way partitioner executes four times faster using the clusters as opposed to a flat netlist with improved partitioning results. For several industrial circuits, our approach outperforms the recursive min-cut bi-partitioning algorithm by 35% in terms of nets cut. Our approach also outperforms an industrial FPGA partitioner by 73% on average in terms of unroutable nets. Using the performance optimization capabilities in our approach we have successfully partitioned the

  2. Allocation plasticity and plant-metal partitioning: Meta-analytical perspectives in phytoremediation

    Energy Technology Data Exchange (ETDEWEB)

    Audet, Patrick [Ottawa-Carleton Institute of Biology, Department of Biology, University of Ottawa, 30 Marie-Curie Street, Ottawa, ON K1N 6N5 (Canada)], E-mail: paude086@uottawa.ca; Charest, Christiane [Ottawa-Carleton Institute of Biology, Department of Biology, University of Ottawa, 30 Marie-Curie Street, Ottawa, ON K1N 6N5 (Canada)], E-mail: ccharest@uottawa.ca

    2008-11-15

    In this meta-analysis of plant growth and metal uptake parameters, we selected 19 studies of heavy metal (HM) phytoremediation to evaluate trends of allocation plasticity and plant-metal partitioning in roots relative to shoots. We calculated indexes of biomass allocation and metal distribution for numerous metals and plant species among four families of interest for phytoremediation purposes (e.g. Brassicaceae, Fabaceae, Poaceae, and Solanaceae). We determined that plants shift their biomass and distribute metals more to roots than shoots possibly to circumvent the challenges of increasing soil-HM conditions. Although this shift is viewed as a stress-avoidance strategy complementing intrinsic stress-tolerance, our findings indicate that plants express different levels of allocation plasticity and metal partitioning depending on their overall growth strategy and status as 'fast-grower' or 'slow-grower' species. Accordingly, we propose a conceptual model of allocation plasticity and plant-metal partitioning comparing 'fast-grower' and 'slow-grower' strategies and outlining applications for remediation practices. - This meta-analysis has revealed a shift in plant biomass and metal distribution from shoots to roots possibly to protect vital functions when subjected to metal stress.

  3. Allocation plasticity and plant-metal partitioning: Meta-analytical perspectives in phytoremediation

    International Nuclear Information System (INIS)

    Audet, Patrick; Charest, Christiane

    2008-01-01

    In this meta-analysis of plant growth and metal uptake parameters, we selected 19 studies of heavy metal (HM) phytoremediation to evaluate trends of allocation plasticity and plant-metal partitioning in roots relative to shoots. We calculated indexes of biomass allocation and metal distribution for numerous metals and plant species among four families of interest for phytoremediation purposes (e.g. Brassicaceae, Fabaceae, Poaceae, and Solanaceae). We determined that plants shift their biomass and distribute metals more to roots than shoots possibly to circumvent the challenges of increasing soil-HM conditions. Although this shift is viewed as a stress-avoidance strategy complementing intrinsic stress-tolerance, our findings indicate that plants express different levels of allocation plasticity and metal partitioning depending on their overall growth strategy and status as 'fast-grower' or 'slow-grower' species. Accordingly, we propose a conceptual model of allocation plasticity and plant-metal partitioning comparing 'fast-grower' and 'slow-grower' strategies and outlining applications for remediation practices. - This meta-analysis has revealed a shift in plant biomass and metal distribution from shoots to roots possibly to protect vital functions when subjected to metal stress

  4. Prediction of gas/particle partitioning of polybrominated diphenyl ethers (PBDEs) in global air: A theoretical study

    Science.gov (United States)

    Li, Y.-F.; Ma, W.-L.; Yang, M.

    2015-02-01

    Gas/particle (G/P) partitioning of semi-volatile organic compounds (SVOCs) is an important process that primarily governs their atmospheric fate, long-range atmospheric transport, and their routes of entering the human body. All previous studies on this issue are hypothetically based on equilibrium conditions, the results of which do not predict results from monitoring studies well in most cases. In this study, a steady-state model instead of an equilibrium-state model for the investigation of the G/P partitioning behavior of polybrominated diphenyl ethers (PBDEs) was established, and an equation for calculating the partition coefficients under steady state (KPS) of PBDEs (log KPS = log KPE + logα) was developed in which an equilibrium term (log KPE = log KOA + logfOM -11.91 where fOM is organic matter content of the particles) and a non-equilibrium term (log α, caused by dry and wet depositions of particles), both being functions of log KOA (octanol-air partition coefficient), are included. It was found that the equilibrium is a special case of steady state when the non-equilibrium term equals zero. A criterion to classify the equilibrium and non-equilibrium status of PBDEs was also established using two threshold values of log KOA, log KOA1, and log KOA2, which divide the range of log KOA into three domains: equilibrium, non-equilibrium, and maximum partition domain. Accordingly, two threshold values of temperature t, tTH1 when log KOA = log KOA1 and tTH2 when log KOA = log KOA2, were identified, which divide the range of temperature also into the same three domains for each PBDE congener. We predicted the existence of the maximum partition domain (the values of log KPS reach a maximum constant of -1.53) that every PBDE congener can reach when log KOA ≥ log KOA2, or t ≤ tTH2. The novel equation developed in this study was applied to predict the G/P partition coefficients of PBDEs for our Chinese persistent organic pollutants (POPs) Soil and Air Monitoring

  5. A dynamic re-partitioning strategy based on the distribution of key in Spark

    Science.gov (United States)

    Zhang, Tianyu; Lian, Xin

    2018-05-01

    Spark is a memory-based distributed data processing framework, has the ability of processing massive data and becomes a focus in Big Data. But the performance of Spark Shuffle depends on the distribution of data. The naive Hash partition function of Spark can not guarantee load balancing when data is skewed. The time of job is affected by the node which has more data to process. In order to handle this problem, dynamic sampling is used. In the process of task execution, histogram is used to count the key frequency distribution of each node, and then generate the global key frequency distribution. After analyzing the distribution of key, load balance of data partition is achieved. Results show that the Dynamic Re-Partitioning function is better than the default Hash partition, Fine Partition and the Balanced-Schedule strategy, it can reduce the execution time of the task and improve the efficiency of the whole cluster.

  6. SVOC partitioning between the gas phase and settled dust indoors

    Science.gov (United States)

    Weschler, Charles J.; Nazaroff, William W.

    2010-09-01

    Semivolatile organic compounds (SVOCs) are a major class of indoor pollutants. Understanding SVOC partitioning between the gas phase and settled dust is important for characterizing the fate of these species indoors and the pathways by which humans are exposed to them. Such knowledge also helps in crafting measurement programs for epidemiological studies designed to probe potential associations between exposure to these compounds and adverse health effects. In this paper, we analyze published data from nineteen studies that cumulatively report measurements of dustborne and airborne SVOCs in more than a thousand buildings, mostly residences, in seven countries. In aggregate, measured median data are reported in these studies for 66 different SVOCs whose octanol-air partition coefficients ( Koa) span more than five orders of magnitude. We use these data to test a simple equilibrium model for estimating the partitioning of an SVOC between the gas phase and settled dust indoors. The results demonstrate, in central tendency, that a compound's octanol-air partition coefficient is a strong predictor of its abundance in settled dust relative to its gas phase concentration. Using median measured results for each SVOC in each study, dustborne mass fractions predicted using Koa and gas-phase concentrations correlate reasonably well with measured dustborne mass fractions ( R2 = 0.76). Combined with theoretical understanding of SVOC partitioning kinetics, the empirical evidence also suggests that for SVOCs with high Koa values, the mass fraction in settled dust may not have sufficient time to equilibrate with the gas phase concentration.

  7. The influence of hydrogen bonding on partition coefficients

    Science.gov (United States)

    Borges, Nádia Melo; Kenny, Peter W.; Montanari, Carlos A.; Prokopczyk, Igor M.; Ribeiro, Jean F. R.; Rocha, Josmar R.; Sartori, Geraldo Rodrigues

    2017-02-01

    This Perspective explores how consideration of hydrogen bonding can be used to both predict and better understand partition coefficients. It is shown how polarity of both compounds and substructures can be estimated from measured alkane/water partition coefficients. When polarity is defined in this manner, hydrogen bond donors are typically less polar than hydrogen bond acceptors. Analysis of alkane/water partition coefficients in conjunction with molecular electrostatic potential calculations suggests that aromatic chloro substituents may be less lipophilic than is generally believed and that some of the effect of chloro-substitution stems from making the aromatic π-cloud less available to hydrogen bond donors. Relationships between polarity and calculated hydrogen bond basicity are derived for aromatic nitrogen and carbonyl oxygen. Aligned hydrogen bond acceptors appear to present special challenges for prediction of alkane/water partition coefficients and this may reflect `frustration' of solvation resulting from overlapping hydration spheres. It is also shown how calculated hydrogen bond basicity can be used to model the effect of aromatic aza-substitution on octanol/water partition coefficients.

  8. Experiments and Recommendations for Partitioning Systems of Equations

    Directory of Open Access Journals (Sweden)

    Mafteiu-Scai Liviu Octavian

    2014-06-01

    Full Text Available Partitioning the systems of equations is a very important process when solving it on a parallel computer. This paper presents some criteria which leads to more efficient parallelization, that must be taken into consideration. New criteria added to preconditioning process by reducing average bandwidth are pro- posed in this paper. These new criteria lead to a combination between preconditioning and partitioning of systems equations, so no need two distinct algorithms/processes. In our proposed methods - where the preconditioning is done by reducing the average bandwidth- two directions were followed in terms of partitioning: for a given preconditioned system determining the best partitioning (or one as close and the second consist in achieving an adequate preconditioning, depending on a given/desired partitioning. A mixed method it is also proposed. Experimental results, conclusions and recommendations, obtained after parallel implementation of conjugate gradient on IBM BlueGene /P supercomputer- based on a synchronous model of parallelization- are also presented in this paper.

  9. Exact 2-point function in Hermitian matrix model

    International Nuclear Information System (INIS)

    Morozov, A.; Shakirov, Sh.

    2009-01-01

    J. Harer and D. Zagier have found a strikingly simple generating function [1,2] for exact (all-genera) 1-point correlators in the Gaussian Hermitian matrix model. In this paper we generalize their result to 2-point correlators, using Toda integrability of the model. Remarkably, this exact 2-point correlation function turns out to be an elementary function - arctangent. Relation to the standard 2-point resolvents is pointed out. Some attempts of generalization to 3-point and higher functions are described.

  10. Partitioning an object-oriented terminology schema.

    Science.gov (United States)

    Gu, H; Perl, Y; Halper, M; Geller, J; Kuo, F; Cimino, J J

    2001-07-01

    Controlled medical terminologies are increasingly becoming strategic components of various healthcare enterprises. However, the typical medical terminology can be difficult to exploit due to its extensive size and high density. The schema of a medical terminology offered by an object-oriented representation is a valuable tool in providing an abstract view of the terminology, enhancing comprehensibility and making it more usable. However, schemas themselves can be large and unwieldy. We present a methodology for partitioning a medical terminology schema into manageably sized fragments that promote increased comprehension. Our methodology has a refinement process for the subclass hierarchy of the terminology schema. The methodology is carried out by a medical domain expert in conjunction with a computer. The expert is guided by a set of three modeling rules, which guarantee that the resulting partitioned schema consists of a forest of trees. This makes it easier to understand and consequently use the medical terminology. The application of our methodology to the schema of the Medical Entities Dictionary (MED) is presented.

  11. Short-term carbon partitioning fertilizer responses vary among two full-sib loblolly pine clones

    Science.gov (United States)

    Jeremy P. Stovall; John R. Seiler; Thomas R. Fox

    2012-01-01

    We investigated the effects of fertilizer application on the partitioning of gross primary productivity (GPP) between contrasting full-sib clones of Pinus taeda (L.). Our objective was to determine if fertilizer growth responses resulted from similar short-term changes to partitioning. A modeling approach incorporating respiratory carbon (C) fluxes,...

  12. Simulating the partitioning of biomass and nitrogen between roots and shoot in crop and grass plants

    NARCIS (Netherlands)

    Yin, X.; Schapendonk, A.H.C.M.

    2004-01-01

    Quantification of the assimilate partitioning between roots and shoot has been one of the components that need improvement in crop growth models. In this study we derived two equations for root-shoot partitioning of biomass and nitrogen (N) that hold for crops grown under steady-state conditions.

  13. On Support Functions for the Development of MFM Models

    DEFF Research Database (Denmark)

    Heussen, Kai; Lind, Morten

    2012-01-01

    a review of MFM applications, and contextualizes the model development with respect to process design and operation knowledge. Developing a perspective for an environment for MFM-oriented model- and application-development a tool-chain is outlined and relevant software functions are discussed......A modeling environment and methodology are necessary to ensure quality and reusability of models in any domain. For MFM in particular, as a tool for modeling complex systems, awareness has been increasing for this need. Introducing the context of modeling support functions, this paper provides....... With a perspective on MFM-modeling for existing processes and automation design, modeling stages and corresponding formal model properties are identified. Finally, practically feasible support functions and model-checks to support the model-development are suggested....

  14. Modelling Strategies for Functional Magnetic Resonance Imaging

    DEFF Research Database (Denmark)

    Madsen, Kristoffer Hougaard

    2009-01-01

    and generalisations to higher order arrays are considered. Additionally, an application of the natural conjugate prior for supervised learning in the general linear model to efficiently incorporate prior information for supervised analysis is presented. Further extensions include methods to model nuisance effects...... in fMIR data thereby suppressing noise for both supervised and unsupervised analysis techniques....

  15. Functional Decomposition of Modeling and Simulation Terrain Database Generation Process

    National Research Council Canada - National Science Library

    Yakich, Valerie R; Lashlee, J. D

    2008-01-01

    .... This report documents the conceptual procedure as implemented by Lockheed Martin Simulation, Training, and Support and decomposes terrain database construction using the Integration Definition for Function Modeling (IDEF...

  16. Migration modeling to estimate exposure to chemicals in food packaging for application in highthroughput risk-based screening and Life Cycle Assessment

    DEFF Research Database (Denmark)

    Ernstoff, Alexi; Jolliet, O.; Huang, L.

    2017-01-01

    concentration in food for diverse scenarios. Therefore a partition coefficient model, as a function of a chemical’s octanol-water partition coefficient and a food’s ethanol-equivalency, was also developed. When using measured diffusion coefficients the model accurately predicted (R2 = 0.9, SE = 0.5) hundreds...

  17. Mesh Partitioning Algorithm Based on Parallel Finite Element Analysis and Its Actualization

    Directory of Open Access Journals (Sweden)

    Lei Zhang

    2013-01-01

    Full Text Available In parallel computing based on finite element analysis, domain decomposition is a key technique for its preprocessing. Generally, a domain decomposition of a mesh can be realized through partitioning of a graph which is converted from a finite element mesh. This paper discusses the method for graph partitioning and the way to actualize mesh partitioning. Relevant softwares are introduced, and the data structure and key functions of Metis and ParMetis are introduced. The writing, compiling, and testing of the mesh partitioning interface program based on these key functions are performed. The results indicate some objective law and characteristics to guide the users who use the graph partitioning algorithm and software to write PFEM program, and ideal partitioning effects can be achieved by actualizing mesh partitioning through the program. The interface program can also be used directly by the engineering researchers as a module of the PFEM software. So that it can reduce the application of the threshold of graph partitioning algorithm, improve the calculation efficiency, and promote the application of graph theory and parallel computing.

  18. Spectral partitioning and swells in the black sea

    NARCIS (Netherlands)

    van Vledder, G.P.; Akpınar, Adem; Lynett, P.

    2016-01-01

    The swell climate of the Black Sea has been determined using a long-term 31-year wave hindcast with the thirdgeneration spectral wave model SWAN in combination with spectral partitioning. This technique enables decomposing wave spectra into individual wave systems representing wind seas or swells

  19. Mechanical modeling of skeletal muscle functioning

    NARCIS (Netherlands)

    van der Linden, B.J.J.J.

    1998-01-01

    For movement of body or body segments is combined effort needed of the central nervous system and the muscular-skeletal system. This thesis deals with the mechanical functioning of skeletal muscle. That muscles come in a large variety of geometries, suggest the existence of a relation between muscle

  20. Partially linear varying coefficient models stratified by a functional covariate

    KAUST Repository

    Maity, Arnab; Huang, Jianhua Z.

    2012-01-01

    We consider the problem of estimation in semiparametric varying coefficient models where the covariate modifying the varying coefficients is functional and is modeled nonparametrically. We develop a kernel-based estimator of the nonparametric