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

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

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)

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.

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)

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.

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. .

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.)

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).

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.

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

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.

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

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

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

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)

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.

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

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

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)

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...

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.

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.

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...

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.

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.

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

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

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

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)

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.

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') .

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.

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.

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".

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

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

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.

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

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

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.

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

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.

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.

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.

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

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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.

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

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

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....

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

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

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.

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.

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...

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)

Generalised partition functions: inferences on phase space distributions

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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

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...

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.

Modeling water and hydrogen networks with partitioning regeneration units

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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.

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

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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 �

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)

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.

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)

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

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

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)

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)

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

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

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

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.

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

Characterisations of Partition of Unities Generated by Entire Functions in C^d

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...

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.

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.

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)

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)

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.

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.)

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

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.

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)

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.

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...

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.

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

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.

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.

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

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

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.

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.

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.

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.

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

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)

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.)

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.

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)

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

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)

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

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

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.

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.

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.

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

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.

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.

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.

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)

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.

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

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.

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.

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

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...

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.)

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.

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.

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.

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

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.

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.

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

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.

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.

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

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

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%.

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

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

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 .

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

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

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.

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.

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.

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.

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.

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.

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

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

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).

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...

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

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.

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.

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

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.

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.

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.

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

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

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.)

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)

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

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.

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

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).

[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.

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...

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.

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...

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.

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.

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.

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

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.

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.

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.

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.

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.

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

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...

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.

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

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.

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...

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.

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

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

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.

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.

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.

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.

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

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.

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...

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

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

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.

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...

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).

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.

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.

Uncertain Henry's law constants compromise equilibrium partitioning calculations of atmospheric oxidation products

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C. Wang

2017-06-01

Full Text Available Gas–particle partitioning governs the distribution, removal, and transport of organic compounds in the atmosphere and the formation of secondary organic aerosol (SOA. The large variety of atmospheric species and their wide range of properties make predicting this partitioning equilibrium challenging. Here we expand on earlier work and predict gas–organic and gas–aqueous phase partitioning coefficients for 3414 atmospherically relevant molecules using COSMOtherm, SPARC Performs Automated Reasoning in Chemistry (SPARC, and poly-parameter linear free-energy relationships. The Master Chemical Mechanism generated the structures by oxidizing primary emitted volatile organic compounds. Predictions for gas–organic phase partitioning coefficients (KWIOM/G by different methods are on average within 1 order of magnitude of each other, irrespective of the numbers of functional groups, except for predictions by COSMOtherm and SPARC for compounds with more than three functional groups, which have a slightly higher discrepancy. Discrepancies between predictions of gas–aqueous partitioning (KW/G are much larger and increase with the number of functional groups in the molecule. In particular, COSMOtherm often predicts much lower KW/G for highly functionalized compounds than the other methods. While the quantum-chemistry-based COSMOtherm accounts for the influence of intra-molecular interactions on conformation, highly functionalized molecules likely fall outside of the applicability domain of the other techniques, which at least in part rely on empirical data for calibration. Further analysis suggests that atmospheric phase distribution calculations are sensitive to the partitioning coefficient estimation method, in particular to the estimated value of KW/G. The large uncertainty in KW/G predictions for highly functionalized organic compounds needs to be resolved to improve the quantitative treatment of SOA formation.

Divergent evapotranspiration partition dynamics between shrubs and grasses in a shrub-encroached steppe ecosystem.

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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.

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.

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 ...

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.

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,

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

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.

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.

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

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.

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.

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

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

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...

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

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.

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

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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

COMPARISON OF THE OCTANOL-AIR PARTITION COEFFICIENT AND LIQUID-PHASE VAPOR PRESSURE AS DESCRIPTORS FOR PARTICLE/GAS PARTITIONING USING LABORATORY AND FIELD DATA FOR PCBS AND PCNS

Science.gov (United States)

The conventional Junge-Pankow adsorption model uses the sub-cooled liquid vapor pressure (pLo) as a correlation parameter for gas/particle interactions. An alternative is the octanol-air partition coefficient (Koa) absorption model. Log-log plots of the particle-gas partition c...

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.)

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

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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.

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

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)

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)

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.

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.

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.

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

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

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

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.

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.

An extensive analysis of the parity of broken 3-diamond partitions

OpenAIRE

Radu, Silviu; Sellers, James A.

2013-01-01

In 2007, Andrews and Paule introduced the family of functions ? k ( n ) which enumerate the number of broken k-diamond partitions for a fixed positive integer k. Since then, numerous mathematicians have considered partitions congruences satisfied by ? k ( n ) for small values of k. In this work, we provide an extensive analysis of the parity of the function ? 3 ( n ) , including a number of Ramanujan-like congruences modulo 2. This will be accomplished by completely characterizing the values ...

Fuzzy 2-partition entropy threshold selection based on Big Bang–Big Crunch Optimization algorithm

Directory of Open Access Journals (Sweden)

Baljit Singh Khehra

2015-03-01

Full Text Available The fuzzy 2-partition entropy approach has been widely used to select threshold value for image segmenting. This approach used two parameterized fuzzy membership functions to form a fuzzy 2-partition of the image. The optimal threshold is selected by searching an optimal combination of parameters of the membership functions such that the entropy of fuzzy 2-partition is maximized. In this paper, a new fuzzy 2-partition entropy thresholding approach based on the technology of the Big Bang–Big Crunch Optimization (BBBCO is proposed. The new proposed thresholding approach is called the BBBCO-based fuzzy 2-partition entropy thresholding algorithm. BBBCO is used to search an optimal combination of parameters of the membership functions for maximizing the entropy of fuzzy 2-partition. BBBCO is inspired by the theory of the evolution of the universe; namely the Big Bang and Big Crunch Theory. The proposed algorithm is tested on a number of standard test images. For comparison, three different algorithms included Genetic Algorithm (GA-based, Biogeography-based Optimization (BBO-based and recursive approaches are also implemented. From experimental results, it is observed that the performance of the proposed algorithm is more effective than GA-based, BBO-based and recursion-based approaches.

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.

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....

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.

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.

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

On the Partitioning of Wall Heat Flux in Subcooled Flow Boiling

International Nuclear Information System (INIS)

Chu, In-Cheol; Hoang, Nhan Hien; Euh, Dong-Jin; Song, Chul-Hwa

2015-01-01

This region has been treated successfully by two-fluid model coupled with a population balance model or interfacial area transport equation (IATE). The second region is near-wall heat transfer which has been commonly described by a wall heat flux partitioning model coupled with models of nucleation site density (NSD), bubble departure diameter and bubble release frequency. Since the phase change process in the near-wall heat transfer is really complex, comprising different heat transfer mechanisms, bubble dynamics, bubble nucleation and thermal response of heated surface, the modeling of the second region is still a great challenge despite intensive efforts. Numerous models and correlations have been proposed to aim for computing the near-wall heat transfer. The models of nucleation site density, bubble departure diameter and bubble release frequency are used to quantify these components. The models closely related to each other. The heat flux partitioning model controls the wall and liquid temperatures. Then, it turns to control the boiling parameters, i.e. nucleation site density, bubble departure diameter and bubble release frequency. In this study, the partitioning of wall heat flux is taken into account. The existing issues occurred with previous models of the heat flux partitioning are pointed out and then a new model which considers the heat transfer caused by evaporation of superheated liquid at bubble boundary and the actual period of transient conduction term is formulated. The new model is then validated with a collected experimental database. This paper presented a new heat flux partitioning model in which the heat transfer by evaporation of the superheated liquid at the bubble boundary and the active period of the transient conduction were considered. The new model was validated with the experimental data of the subcooled flow boiling of water obtained by Phillips

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.

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

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.

Partition of some key regulating services in terrestrial ecosystems: Meta-analysis and review

Energy Technology Data Exchange (ETDEWEB)

Viglizzo, E.F., E-mail: evigliz@cpenet.com.ar [INTA, EEA Anguil, Grupo de Investigaciones en Gestión Ambiental (GIGA), Av. Spinetto 785, 6300 Santa Rosa, La Pampa (Argentina); INCITAP-CONICET, Ruta 35, km 335, 6300 Santa Rosa, La Pampa (Argentina); UNLPam, Facultad de Ciencias Exactas y Naturales, Av. Uruguay 151, 6300 Santa Rosa, La Pampa (Argentina); Jobbágy, E.G. [CONICET, Andes 950, 5700 San Luis, San Luis (Argentina); Grupo de Estudios Ambientales IMASL, Ejército de los, Andes 950, 5700 San Luis, San Luis (Argentina); Ricard, M.F. [INCITAP-CONICET, Ruta 35, km 335, 6300 Santa Rosa, La Pampa (Argentina); UNLPam, Facultad de Ciencias Exactas y Naturales, Av. Uruguay 151, 6300 Santa Rosa, La Pampa (Argentina); Paruelo, J.M. [Laboratorio de Análisis Regional y Teledetección, Departamento de Métodos Cuantitativos Sistemas de información, Facultad de Agronomía and IFEVA, Universidad de Buenos Aires and CONICET, Av. San Martín 4453, 1417 Buenos Aires (Argentina)

2016-08-15

Our knowledge about the functional foundations of ecosystem service (ES) provision is still limited and more research is needed to elucidate key functional mechanisms. Using a simplified eco-hydrological scheme, in this work we analyzed how land-use decisions modify the partition of some essential regulatory ES by altering basic relationships between biomass stocks and water flows. A comprehensive meta-analysis and review was conducted based on global, regional and local data from peer-reviewed publications. We analyzed five datasets comprising 1348 studies and 3948 records on precipitation (PPT), aboveground biomass (AGB), AGB change, evapotranspiration (ET), water yield (WY), WY change, runoff (R) and infiltration (I). The conceptual framework was focused on ES that are associated with the ecological functions (e.g., intermediate ES) of ET, WY, R and I. ES included soil protection, carbon sequestration, local climate regulation, water-flow regulation and water recharge. To address the problem of data normality, the analysis included both parametric and non-parametric regression analysis. Results demonstrate that PPT is a first-order biophysical factor that controls ES release at the broader scales. At decreasing scales, ES are partitioned as result of PPT interactions with other biophysical and anthropogenic factors. At intermediate scales, land-use change interacts with PPT modifying ES partition as it the case of afforestation in dry regions, where ET and climate regulation may be enhanced at the expense of R and water-flow regulation. At smaller scales, site-specific conditions such as topography interact with PPT and AGB displaying different ES partition formats. The probable implications of future land-use and climate change on some key ES production and partition are discussed. - Highlights: • The partition of regulatory services in ecosystems poses a major policy challenge. • We examined how partitions occur at the hydrosphere

Partition of some key regulating services in terrestrial ecosystems: Meta-analysis and review

International Nuclear Information System (INIS)

Viglizzo, E.F.; Jobbágy, E.G.; Ricard, M.F.; Paruelo, J.M.

2016-01-01

Our knowledge about the functional foundations of ecosystem service (ES) provision is still limited and more research is needed to elucidate key functional mechanisms. Using a simplified eco-hydrological scheme, in this work we analyzed how land-use decisions modify the partition of some essential regulatory ES by altering basic relationships between biomass stocks and water flows. A comprehensive meta-analysis and review was conducted based on global, regional and local data from peer-reviewed publications. We analyzed five datasets comprising 1348 studies and 3948 records on precipitation (PPT), aboveground biomass (AGB), AGB change, evapotranspiration (ET), water yield (WY), WY change, runoff (R) and infiltration (I). The conceptual framework was focused on ES that are associated with the ecological functions (e.g., intermediate ES) of ET, WY, R and I. ES included soil protection, carbon sequestration, local climate regulation, water-flow regulation and water recharge. To address the problem of data normality, the analysis included both parametric and non-parametric regression analysis. Results demonstrate that PPT is a first-order biophysical factor that controls ES release at the broader scales. At decreasing scales, ES are partitioned as result of PPT interactions with other biophysical and anthropogenic factors. At intermediate scales, land-use change interacts with PPT modifying ES partition as it the case of afforestation in dry regions, where ET and climate regulation may be enhanced at the expense of R and water-flow regulation. At smaller scales, site-specific conditions such as topography interact with PPT and AGB displaying different ES partition formats. The probable implications of future land-use and climate change on some key ES production and partition are discussed. - Highlights: • The partition of regulatory services in ecosystems poses a major policy challenge. • We examined how partitions occur at the hydrosphere

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.

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.

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

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.

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.

Safety-Critical Partitioned Software Architecture: A Partitioned Software Architecture for Robotic

Science.gov (United States)

Horvath, Greg; Chung, Seung H.; Cilloniz-Bicchi, Ferner

2011-01-01

The flight software on virtually every mission currently managed by JPL has several major flaws that make it vulnerable to potentially fatal software defects. Many of these problems can be addressed by recently developed partitioned operating systems (OS). JPL has avoided adopting a partitioned operating system on its flight missions, primarily because doing so would require significant changes in flight software design, and the risks associated with changes of that magnitude cannot be accepted by an active flight project. The choice of a partitioned OS can have a dramatic effect on the overall system and software architecture, allowing for realization of benefits far beyond the concerns typically associated with the choice of OS. Specifically, we believe that a partitioned operating system, when coupled with an appropriate architecture, can provide a strong infrastructure for developing systems for which reusability, modifiability, testability, and reliability are essential qualities. By adopting a partitioned OS, projects can gain benefits throughout the entire development lifecycle, from requirements and design, all the way to implementation, testing, and operations.

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...

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.

Trace element partitioning between plagioclase and melt: An investigation of the impact of experimental and analytical procedures

Science.gov (United States)

Nielsen, Roger L.; Ustunisik, Gokce; Weinsteiger, Allison B.; Tepley, Frank J.; Johnston, A. Dana; Kent, Adam J. R.

2017-09-01

Quantitative models of petrologic processes require accurate partition coefficients. Our ability to obtain accurate partition coefficients is constrained by their dependence on pressure temperature and composition, and on the experimental and analytical techniques we apply. The source and magnitude of error in experimental studies of trace element partitioning may go unrecognized if one examines only the processed published data. The most important sources of error are relict crystals, and analyses of more than one phase in the analytical volume. Because we have typically published averaged data, identification of compromised data is difficult if not impossible. We addressed this problem by examining unprocessed data from plagioclase/melt partitioning experiments, by comparing models based on that data with existing partitioning models, and evaluated the degree to which the partitioning models are dependent on the calibration data. We found that partitioning models are dependent on the calibration data in ways that result in erroneous model values, and that the error will be systematic and dependent on the value of the partition coefficient. In effect, use of different calibration datasets will result in partitioning models whose results are systematically biased, and that one can arrive at different and conflicting conclusions depending on how a model is calibrated, defeating the purpose of applying the models. Ultimately this is an experimental data problem, which can be solved if we publish individual analyses (not averages) or use a projection method wherein we use an independent compositional constraint to identify and estimate the uncontaminated composition of each phase.

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.

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

Polymers as reference partitioning phase: polymer calibration for an analytically operational approach to quantify multimedia phase partitioning

DEFF Research Database (Denmark)

Gilbert, Dorothea; Witt, Gesine; Smedes, Foppe

2016-01-01

Polymers are increasingly applied for the enrichment of hydrophobic organic chemicals (HOCs) from various types of samples and media in many analytical partitioning-based measuring techniques. We propose using polymers as a reference partitioning phase and introduce polymer-polymer partitioning......-air) and multimedia partition coefficients (lipid-water, air-water) were calculated by applying the new concept of a polymer as reference partitioning phase and by using polymer-polymer partition coefficients as conversion factors. The present study encourages the use of polymer-polymer partition coefficients...

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...

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

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.

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

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.

Polyacrylate–water partitioning of biocidal compounds: Enhancing the understanding of biocide partitioning between render and water

DEFF Research Database (Denmark)

Bollmann, Ulla E.; Ou, Yi; Mayer, Philipp

2014-01-01

-N-octylisothiazolinone). The correlation of the polyacrylate-water partition constants with the octanol-water partition constants is significant, but the polyacrylate-water partition constants were predominantly below octanol-water partition constants (Kow). The comparison with render-water distribution constants showed that estimating...

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.

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

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.

Handling Data Skew in MapReduce Cluster by Using Partition Tuning

Directory of Open Access Journals (Sweden)

Yufei Gao

2017-01-01

Full Text Available The healthcare industry has generated large amounts of data, and analyzing these has emerged as an important problem in recent years. The MapReduce programming model has been successfully used for big data analytics. However, data skew invariably occurs in big data analytics and seriously affects efficiency. To overcome the data skew problem in MapReduce, we have in the past proposed a data processing algorithm called Partition Tuning-based Skew Handling (PTSH. In comparison with the one-stage partitioning strategy used in the traditional MapReduce model, PTSH uses a two-stage strategy and the partition tuning method to disperse key-value pairs in virtual partitions and recombines each partition in case of data skew. The robustness and efficiency of the proposed algorithm were tested on a wide variety of simulated datasets and real healthcare datasets. The results showed that PTSH algorithm can handle data skew in MapReduce efficiently and improve the performance of MapReduce jobs in comparison with the native Hadoop, Closer, and locality-aware and fairness-aware key partitioning (LEEN. We also found that the time needed for rule extraction can be reduced significantly by adopting the PTSH algorithm, since it is more suitable for association rule mining (ARM on healthcare data.

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)

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

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.

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.

The Influence of Oxygen and Sulfur on Uranium Partitioning Into the Core

Science.gov (United States)

Moore, R. D., Jr.; Van Orman, J. A.; Hauck, S. A., II

2017-12-01

Uranium, along with K and Th, may provide substantial long-term heating in planetary cores, depending on the magnitude of their partitioning into the metal during differentiation. In general, non-metallic light elements are known to have a large influence on the partitioning of trace elements, and the presence of sulfur is known to enhance the partitioning of uranium into the metal. Data from the steelmaking literature indicate that oxygen also enhances the solubility of oxygen in liquid iron alloys. Here we present experimental data on the partitioning of U between immiscible liquids in the Fe-S-O system, and use these data along with published metal-silicate partitioning data to calibrate a quantitative activity model for U in the metal. We also determined partition coefficients for Th, K, Nb, Nd, Sm, and Yb, but were unable to fully constrain activity models for these elements with available data. A Monte Carlo fitting routine was used to calculate U-S, U-O, and U-S-O interaction coefficients, and their associated uncertainties. We find that the combined interaction of uranium with sulfur and oxygen is predominant, with S and O together enhancing the solubility of uranium to a far greater degree than either element in isolation. This suggests that uranium complexes with sulfite or sulfate species in the metal. For a model Mars core composition containing 14 at% S and 5 at% O, the metal/silicate partition coefficient for U is predicted to be an order of magnitude larger than for a pure Fe-Ni core.

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)

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.)

COMPUTING VERTICES OF INTEGER PARTITION POLYTOPES

Directory of Open Access Journals (Sweden)

A. S. Vroublevski

2015-01-01

Full Text Available The paper describes a method of generating vertices of the polytopes of integer partitions that was used by the authors to calculate all vertices and support vertices of the partition polytopes for all n ≤ 105 and all knapsack partitions of n ≤ 165. The method avoids generating all partitions of n. The vertices are determined with the help of sufficient and necessary conditions; in the hard cases, the well-known program Polymake is used. Some computational aspects are exposed in more detail. These are the algorithm for checking the criterion that characterizes partitions that are convex combinations of two other partitions; the way of using two combinatorial operations that transform the known vertices to the new ones; and employing the Polymake to recognize a limited number (for small n of partitions that need three or more other partitions for being convexly expressed. We discuss the computational results on the numbers of vertices and support vertices of the partition polytopes and some appealing problems these results give rise to.

Using measured octanol-air partition coefficients to explain environmental partitioning of organochlorine pesticides.

Science.gov (United States)

Shoeib, Mahiba; Harner, Tom

2002-05-01

Octanol-air partition coefficients (Koa) were measured directly for 19 organochlorine (OC) pesticides over the temperature range of 5 to 35 degrees C. Values of log Koa at 25 degrees C ranged over three orders of magnitude, from 7.4 for hexachlorobenzene to 10.1 for 1,1-dichloro-2,2-bis(p-chlorophenyl) ethane. Measured values were compared to values calculated as KowRT/H (where R is the ideal gas constant [8.314 J mol(-1) K(-1)], T is absolute temperature, and H is Henry's law constant) were, in general, larger. Discrepancies of up to three orders of magnitude were observed, highlighting the need for direct measurements of Koa. Plots of Koa versus inverse absolute temperature exhibited a log-linear correlation. Enthalpies of phase transition between octanol and air (deltaHoa) were determined from the temperature slopes and were in the range of 56 to 105 kJ mol(-1) K(-1). Activity coefficients in octanol (gamma(o)) were determined from Koa and reported supercooled liquid vapor pressures (pL(o)), and these were in the range of 0.3 to 12, indicating near-ideal solution behavior. Differences in Koa values for structural isomers of hexachlorocyclohexane were also explored. A Koa-based model was described for predicting the partitioning of OC pesticides to aerosols and used to calculate particulate fractions at 25 and -10 degrees C. The model also agreed well with experimental results for several OC pesticides that were equilibrated with urban aerosols in the laboratory. A log-log regression of the particle-gas partition coefficient versus Koa had a slope near unity, indicating that octanol is a good surrogate for the aerosol organic matter.

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.

Universal power-law diet partitioning by marine fish and squid with surprising stability–diversity implications

Science.gov (United States)

Rossberg, Axel G.; Farnsworth, Keith D.; Satoh, Keisuke; Pinnegar, John K.

2011-01-01

A central question in community ecology is how the number of trophic links relates to community species richness. For simple dynamical food-web models, link density (the ratio of links to species) is bounded from above as the number of species increases; but empirical data suggest that it increases without bounds. We found a new empirical upper bound on link density in large marine communities with emphasis on fish and squid, using novel methods that avoid known sources of bias in traditional approaches. Bounds are expressed in terms of the diet-partitioning function (DPF): the average number of resources contributing more than a fraction f to a consumer's diet, as a function of f. All observed DPF follow a functional form closely related to a power law, with power-law exponents independent of species richness at the measurement accuracy. Results imply universal upper bounds on link density across the oceans. However, the inherently scale-free nature of power-law diet partitioning suggests that the DPF itself is a better defined characterization of network structure than link density. PMID:21068048

Effects of gas–wall partitioning in Teflon tubing and instrumentation on time-resolved measurements of gas-phase organic compounds

Directory of Open Access Journals (Sweden)

D. Pagonis

2017-12-01

Full Text Available Recent studies have demonstrated that organic compounds can partition from the gas phase to the walls in Teflon environmental chambers and that the process can be modeled as absorptive partitioning. Here these studies were extended to investigate gas–wall partitioning of organic compounds in Teflon tubing and inside a proton-transfer-reaction mass spectrometer (PTR-MS used to monitor compound concentrations. Rapid partitioning of C8–C14 2-ketones and C11–C16 1-alkenes was observed for compounds with saturation concentrations (c∗ in the range of 3 × 104 to 1 × 107 µg m−3, causing delays in instrument response to step-function changes in the concentration of compounds being measured. These delays vary proportionally with tubing length and diameter and inversely with flow rate and c∗. The gas–wall partitioning process that occurs in tubing is similar to what occurs in a gas chromatography column, and the measured delay times (analogous to retention times were accurately described using a linear chromatography model where the walls were treated as an equivalent absorbing mass that is consistent with values determined for Teflon environmental chambers. The effect of PTR-MS surfaces on delay times was also quantified and incorporated into the model. The model predicts delays of an hour or more for semivolatile compounds measured under commonly employed conditions. These results and the model can enable better quantitative design of sampling systems, in particular when fast response is needed, such as for rapid transients, aircraft, or eddy covariance measurements. They may also allow estimation of c∗ values for unidentified organic compounds detected by mass spectrometry and could be employed to introduce differences in time series of compounds for use with factor analysis methods. Best practices are suggested for sampling organic compounds through Teflon tubing.

Effects of gas-wall partitioning in Teflon tubing and instrumentation on time-resolved measurements of gas-phase organic compounds

Science.gov (United States)

Pagonis, Demetrios; Krechmer, Jordan E.; de Gouw, Joost; Jimenez, Jose L.; Ziemann, Paul J.

2017-12-01

Recent studies have demonstrated that organic compounds can partition from the gas phase to the walls in Teflon environmental chambers and that the process can be modeled as absorptive partitioning. Here these studies were extended to investigate gas-wall partitioning of organic compounds in Teflon tubing and inside a proton-transfer-reaction mass spectrometer (PTR-MS) used to monitor compound concentrations. Rapid partitioning of C8-C14 2-ketones and C11-C16 1-alkenes was observed for compounds with saturation concentrations (c∗) in the range of 3 × 104 to 1 × 107 µg m-3, causing delays in instrument response to step-function changes in the concentration of compounds being measured. These delays vary proportionally with tubing length and diameter and inversely with flow rate and c∗. The gas-wall partitioning process that occurs in tubing is similar to what occurs in a gas chromatography column, and the measured delay times (analogous to retention times) were accurately described using a linear chromatography model where the walls were treated as an equivalent absorbing mass that is consistent with values determined for Teflon environmental chambers. The effect of PTR-MS surfaces on delay times was also quantified and incorporated into the model. The model predicts delays of an hour or more for semivolatile compounds measured under commonly employed conditions. These results and the model can enable better quantitative design of sampling systems, in particular when fast response is needed, such as for rapid transients, aircraft, or eddy covariance measurements. They may also allow estimation of c∗ values for unidentified organic compounds detected by mass spectrometry and could be employed to introduce differences in time series of compounds for use with factor analysis methods. Best practices are suggested for sampling organic compounds through Teflon tubing.

Phylogenetic systematics and biogeography of hummingbirds: Bayesian and maximum likelihood analyses of partitioned data and selection of an appropriate partitioning strategy.

Science.gov (United States)

McGuire, Jimmy A; Witt, Christopher C; Altshuler, Douglas L; Remsen, J V

2007-10-01

Hummingbirds are an important model system in avian biology, but to date the group has been the subject of remarkably few phylogenetic investigations. Here we present partitioned Bayesian and maximum likelihood phylogenetic analyses for 151 of approximately 330 species of hummingbirds and 12 outgroup taxa based on two protein-coding mitochondrial genes (ND2 and ND4), flanking tRNAs, and two nuclear introns (AK1 and BFib). We analyzed these data under several partitioning strategies ranging between unpartitioned and a maximum of nine partitions. In order to select a statistically justified partitioning strategy following partitioned Bayesian analysis, we considered four alternative criteria including Bayes factors, modified versions of the Akaike information criterion for small sample sizes (AIC(c)), Bayesian information criterion (BIC), and a decision-theoretic methodology (DT). Following partitioned maximum likelihood analyses, we selected a best-fitting strategy using hierarchical likelihood ratio tests (hLRTS), the conventional AICc, BIC, and DT, concluding that the most stringent criterion, the performance-based DT, was the most appropriate methodology for selecting amongst partitioning strategies. In the context of our well-resolved and well-supported phylogenetic estimate, we consider the historical biogeography of hummingbirds using ancestral state reconstructions of (1) primary geographic region of occurrence (i.e., South America, Central America, North America, Greater Antilles, Lesser Antilles), (2) Andean or non-Andean geographic distribution, and (3) minimum elevational occurrence. These analyses indicate that the basal hummingbird assemblages originated in the lowlands of South America, that most of the principle clades of hummingbirds (all but Mountain Gems and possibly Bees) originated on this continent, and that there have been many (at least 30) independent invasions of other primary landmasses, especially Central America.

One-Dimensional Vertex Models Associated with a Class of Yangian Invariant Haldane-Shastry Like Spin Chains

Directory of Open Access Journals (Sweden)

Kazuhiro Hikami

2010-12-01

Full Text Available We define a class of Y(sl_{(m|n} Yangian invariant Haldane-Shastry (HS like spin chains, by assuming that their partition functions can be written in a particular form in terms of the super Schur polynomials. Using some properties of the super Schur polynomials, we show that the partition functions of this class of spin chains are equivalent to the partition functions of a class of one-dimensional vertex models with appropriately defined energy functions. We also establish a boson-fermion duality relation for the partition functions of this class of supersymmetric HS like spin chains by using their correspondence with one-dimensional vertex models.

Fault Gauge Numerical Simulation : Dynamic Rupture Propagation and Local Energy Partitioning

Science.gov (United States)

Mollon, G.

2017-12-01

In this communication, we present dynamic simulations of the local (centimetric) behaviour of a fault filled with a granular gauge submitted to dynamic rupture. The numerical tool (Fig. 1) combines classical Discrete Element Modelling (albeit with the ability to deal with arbitrary grain shapes) for the simualtion of the gauge, and continuous modelling for the simulation of the acoustic waves emission and propagation. In a first part, the model is applied to the simulation of steady-state shearing of the fault under remote displacement boudary conditions, in order to observe the shear accomodation at the interface (R1 cracks, localization, wear, etc.). It also makes it possible to fit to desired values the Rate and State Friction properties of the granular gauge by adapting the contact laws between grains. Such simulations provide quantitative insight in the steady-state energy partitionning between fracture, friction and acoustic emissions as a function of the shear rate. In a second part, the model is submitted to dynamic rupture. For that purpose, the fault is elastically preloaded just below rupture, and a displacement pulse is applied at one end of the sample (and on only one side of the fault). This allows to observe the propagation of the instability along the fault and the interplay between this propagation and the local granular phenomena. Energy partitionning is then observed both in space and time.

Performance analysis, quality function deployment and structured methods

Science.gov (United States)

Maier, M. W.

Quality function deployment, (QFD), an approach to synthesizing several elements of system modeling and design into a single unit, is presented. Behavioral, physical, and performance modeling are usually considered as separate aspects of system design without explicit linkages. Structured methodologies have developed linkages between behavioral and physical models before, but have not considered the integration of performance models. QFD integrates performance models with traditional structured models. In this method, performance requirements such as cost, weight, and detection range are partitioned into matrices. Partitioning is done by developing a performance model, preferably quantitative, for each requirement. The parameters of the model become the engineering objectives in a QFD analysis and the models are embedded in a spreadsheet version of the traditional QFD matrices. The performance model and its parameters are used to derive part of the functional model by recognizing that a given performance model implies some structure to the functionality of the system.

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.

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.)

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)

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

The prediction of blood-tissue partitions, water-skin partitions and skin permeation for agrochemicals.

Science.gov (United States)

Abraham, Michael H; Gola, Joelle M R; Ibrahim, Adam; Acree, William E; Liu, Xiangli

2014-07-01

There is considerable interest in the blood-tissue distribution of agrochemicals, and a number of researchers have developed experimental methods for in vitro distribution. These methods involve the determination of saline-blood and saline-tissue partitions; not only are they indirect, but they do not yield the required in vivo distribution. The authors set out equations for gas-tissue and blood-tissue distribution, for partition from water into skin and for permeation from water through human skin. Together with Abraham descriptors for the agrochemicals, these equations can be used to predict values for all of these processes. The present predictions compare favourably with experimental in vivo blood-tissue distribution where available. The predictions require no more than simple arithmetic. The present method represents a much easier and much more economic way of estimating blood-tissue partitions than the method that uses saline-blood and saline-tissue partitions. It has the added advantages of yielding the required in vivo partitions and being easily extended to the prediction of partition of agrochemicals from water into skin and permeation from water through skin. © 2013 Society of Chemical Industry.

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

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

Uranium partitioning under acidic conditions in a sandy soil aquifer

International Nuclear Information System (INIS)

Johnson, W.H.; Serkiz, S.M.; Johnson, L.M.

1995-01-01

The partitioning of uranium in an aquifer down gradient of two large mixed waste sites was examined with respect to the solution and soil chemistry (e.g., pH redox potential and contaminant concentration) and aqueous-phase chemical speciation. This involved generation of field-derived, batch sorption, and reactive mineral surface sorption data. Field-derived distribution coefficients for uranium at these waste sites were found to vary between 0.40 and 15,000. Based on thermodynamic speciation modeling and a comparison of field and laboratory data, gibbsite is a potential reactive mineral surface present in modified soils at the sites. Uranium partitioning data are presented from field samples and laboratory studies of background soil and the mineral surface gibbsite. Mechanistic and empirical sorption models fit to the field-derived uranium partitioning data show an improvement of over two orders of magnitude, as measured by the normalized sum of errors squared, when compared with the single K d model used in previous risk work. Models fit to batch sorption data provided a better fit of sorbed uranium than do models fit to the field-derived data

Size-exclusion partitioning of neutral solutes in crosslinked polymer networks: A Monte Carlo simulation study

Energy Technology Data Exchange (ETDEWEB)

Quesada-Pérez, Manuel; Maroto-Centeno, José Alberto [Departamento de Física, Escuela Politécnica Superior de Linares, Universidad de Jaén, 23700 Linares, Jaén (Spain); Adroher-Benítez, Irene [Grupo de Física de Fluidos y Biocoloides, Departamento de Física Aplicada, Facultad de Ciencias, Universidad de Granada, 18071 Granada (Spain)

2014-05-28

In this work, the size-exclusion partitioning of neutral solutes in crosslinked polymer networks has been studied through Monte Carlo simulations. Two models that provide user-friendly expressions to predict the partition coefficient have been tested over a wide range of volume fractions: Ogston's model (especially devised for fibrous media) and the pore model. The effects of crosslinking and bond stiffness have also been analyzed. Our results suggest that the fiber model can acceptably account for size-exclusion effects in crosslinked gels. Its predictions are good for large solutes if the fiber diameter is assumed to be the effective monomer diameter. For solutes sizes comparable to the monomer dimensions, a smaller fiber diameter must be used. Regarding the pore model, the partition coefficient is poorly predicted when the pore diameter is estimated as the distance between adjacent crosslinker molecules. On the other hand, our results prove that the pore sizes obtained from the pore model by fitting partitioning data of swollen gels are overestimated.

Size-exclusion partitioning of neutral solutes in crosslinked polymer networks: A Monte Carlo simulation study

International Nuclear Information System (INIS)

Quesada-Pérez, Manuel; Maroto-Centeno, José Alberto; Adroher-Benítez, Irene

2014-01-01

In this work, the size-exclusion partitioning of neutral solutes in crosslinked polymer networks has been studied through Monte Carlo simulations. Two models that provide user-friendly expressions to predict the partition coefficient have been tested over a wide range of volume fractions: Ogston's model (especially devised for fibrous media) and the pore model. The effects of crosslinking and bond stiffness have also been analyzed. Our results suggest that the fiber model can acceptably account for size-exclusion effects in crosslinked gels. Its predictions are good for large solutes if the fiber diameter is assumed to be the effective monomer diameter. For solutes sizes comparable to the monomer dimensions, a smaller fiber diameter must be used. Regarding the pore model, the partition coefficient is poorly predicted when the pore diameter is estimated as the distance between adjacent crosslinker molecules. On the other hand, our results prove that the pore sizes obtained from the pore model by fitting partitioning data of swollen gels are overestimated

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.

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.

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.

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.

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

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.

Gate-tunable current partition in graphene-based topological zero lines

Science.gov (United States)

Wang, Ke; Ren, Yafei; Deng, Xinzhou; Yang, Shengyuan A.; Jung, Jeil; Qiao, Zhenhua

2017-06-01

We demonstrate new mechanisms for gate-tunable current partition at topological zero-line intersections in a graphene-based current splitter. Based on numerical calculations of the nonequilibrium Green's functions and Landauer-Büttiker formula, we show that the presence of a perpendicular magnetic field on the order of a few Teslas allows for carrier sign dependent current routing. In the zero-field limit the control on current routing and partition can be achieved within a range of 10-90 % of the total incoming current by tuning the carrier density at tilted intersections or by modifying the relative magnitude of the bulk band gaps via gate voltage. We discuss the implications of our findings in the design of topological zero-line networks where finite orbital magnetic moments are expected when the current partition is asymmetric.

Paths and partitions: Combinatorial descriptions of the parafermionic states

Science.gov (United States)

Mathieu, Pierre

2009-09-01

The Zk parafermionic conformal field theories, despite the relative complexity of their modes algebra, offer the simplest context for the study of the bases of states and their different combinatorial representations. Three bases are known. The classic one is given by strings of the fundamental parafermionic operators whose sequences of modes are in correspondence with restricted partitions with parts at distance k -1 differing at least by 2. Another basis is expressed in terms of the ordered modes of the k -1 different parafermionic fields, which are in correspondence with the so-called multiple partitions. Both types of partitions have a natural (Bressoud) path representation. Finally, a third basis, formulated in terms of different paths, is inherited from the solution of the restricted solid-on-solid model of Andrews-Baxter-Forrester. The aim of this work is to review, in a unified and pedagogical exposition, these four different combinatorial representations of the states of the Zk parafermionic models. The first part of this article presents the different paths and partitions and their bijective relations; it is purely combinatorial, self-contained, and elementary; it can be read independently of the conformal-field-theory applications. The second part links this combinatorial analysis with the bases of states of the Zk parafermionic theories. With the prototypical example of the parafermionic models worked out in detail, this analysis contributes to fix some foundations for the combinatorial study of more complicated theories. Indeed, as we briefly indicate in ending, generalized versions of both the Bressoud and the Andrews-Baxter-Forrester paths emerge naturally in the description of the minimal models.

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.

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

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.

Molecular Descriptors Family on Structure Activity Relationships 6. Octanol-Water Partition Coefficient of Polychlorinated Biphenyls

Directory of Open Access Journals (Sweden)

Lorentz JÄNTSCHI

2006-01-01

Full Text Available Octanol-water partition coefficient of two hundred and six polychlorinated biphenyls was model by the use of an original method based on complex information obtained from compounds structure. The regression analysis shows that best results are obtained in four-varied model (r2 = 0.9168. The prediction ability of the model was studied through leave-one-out analysis (r2cv(loo = 0.9093 and in training and test sets analysis. Modeling the octanol-water partition coefficient of polychlorinated biphenyls by integration of complex structural information provide a stable and performing four-varied model, allowing us to make remarks about relationship between structure of polychlorinated biphenyls and associated octanol-water partition coefficients.

Decision tree modeling using R.

Science.gov (United States)

Zhang, Zhongheng

2016-08-01

In machine learning field, decision tree learner is powerful and easy to interpret. It employs recursive binary partitioning algorithm that splits the sample in partitioning variable with the strongest association with the response variable. The process continues until some stopping criteria are met. In the example I focus on conditional inference tree, which incorporates tree-structured regression models into conditional inference procedures. While growing a single tree is subject to small changes in the training data, random forests procedure is introduced to address this problem. The sources of diversity for random forests come from the random sampling and restricted set of input variables to be selected. Finally, I introduce R functions to perform model based recursive partitioning. This method incorporates recursive partitioning into conventional parametric model building.

TEMPERATURE DEPENDENT PHASE BEHAVIOR AND PROTEIN PARTITIONING IN GIANT PLASMA MEMBRANE VESICLES

OpenAIRE

Johnson, SA; Stinson, BM; Go, M; Carmona, LM; Reminick, JI; Fang, X; Baumgart, T

2010-01-01

Liquid-ordered (Lo) and liquid-disordered (Ld) phase coexistence has been suggested to partition the plasma membrane of biological cells into lateral compartments, allowing for enrichment or depletion of functionally relevant molecules. This dynamic partitioning might be involved in fine-tuning cellular signaling fidelity through coupling to the plasma membrane protein and lipid composition. In earlier work, giant plasma membrane vesicles, obtained by chemically induced blebbing from cultured...

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

Seasonal and particle size-dependent variations in gas/particle partitioning of PCDD/Fs

International Nuclear Information System (INIS)

Lee, Se-Jin; Ale, Debaki; Chang, Yoon-Seok; Oh, Jeong-Eun; Shin, Sun Kyoung

2008-01-01

This study monitored particle size-dependent variations in atmospheric polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs). Two gas/particle partitioning models, the subcooled liquid vapor pressure (P L 0 ) and the octanol-air partition coefficient (K OA ) model, were applied to each particle sizes. The regression coefficients of each fraction against the gas/particle partition coefficient (K P ) were similar for separated particles within the same sample set but differed for particles collected during different periods. Gas/particle partitioning calculated from the integral of fractions was similar to that of size-segregated particles and previously measured bulk values. Despite the different behaviors and production mechanisms of atmospheric particles of different sizes, PCDD/F partitioning of each size range was controlled by meteorological conditions such as atmospheric temperature, O 3 and UV, which reflects no source related with certain particle size ranges but mixed urban sources within this city. Our observations emphasize that when assessing environmental and health effects, the movement of PCDD/Fs in air should be considered in conjunction with particle size in addition to the bulk aerosol. - Gas/particle partitioning of atmospheric PCDD/Fs for different particle sizes reflects the impacts of emitters of different size ranges

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.

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 ...

Introducing Meta-Partition, a Useful Methodology to Explore Factors That Influence Ecological Effect Sizes.

Directory of Open Access Journals (Sweden)

Zaida Ortega

Full Text Available The study of the heterogeneity of effect sizes is a key aspect of ecological meta-analyses. Here we propose a meta-analytic methodology to study the influence of moderators in effect sizes by splitting heterogeneity: meta-partition. To introduce this methodology, we performed a meta-partition of published data about the traits that influence species sensitivity to habitat loss, that have been previously analyzed through meta-regression. Thus, here we aim to introduce meta-partition and to make an initial comparison with meta-regression. Meta-partition algorithm consists of three steps. Step 1 is to study the heterogeneity of effect sizes under the assumption of fixed effect model. If heterogeneity is found, we perform step 2, that is, to partition the heterogeneity by the moderator that minimizes heterogeneity within a subset while maximizing heterogeneity between subsets. Then, if effect sizes of the subset are still heterogeneous, we repeat step 1 and 2 until we reach final subsets. Finally, step 3 is to integrate effect sizes of final subsets, with fixed effect model if there is homogeneity, and with random effects model if there is heterogeneity. Results show that meta-partition is valuable to assess the importance of moderators in explaining heterogeneity of effect sizes, as well as to assess the directions of these relations and to detect possible interactions between moderators. With meta-partition we have been able to evaluate the importance of moderators in a more objective way than with meta-regression, and to visualize the complex relations that may exist between them. As ecological issues are often influenced by several factors interacting in complex ways, ranking the importance of possible moderators and detecting possible interactions would make meta-partition a useful exploration tool for ecological meta-analyses.

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

Metal partitioning and uptake in central Ontario forests

International Nuclear Information System (INIS)

Watmough, Shaun A.; Dillon, Peter J.; Epova, Ekaterina N.

2005-01-01

Evaluation of the potential environmental risk posed by metals depends to a great extent on modeling the fate and mobility of metals with soil-solution partitioning coefficients (K d ). However, the effect of biological cycling on metal partitioning is rarely considered in standard risk assessments. We determined soil-solution partitioning coefficients for 5 metals (Cd, Zn, Pb, Co and Ni) at 46 forested sites that border the Precambrian Shield in central Ontario, where soil pH aq varied from 3.9 to 8.1. Foliage from the dominant tree species and forest floor samples were also collected from each site to compare their metal levels with K d predictions. Analogous to other studies, log K d values for all metals were predicted by empirical linear regression with soil pH (r 2 = 0.66-0.72), demonstrating that metal partitioning between soil and soil solution can be reliably predicted for relatively unpolluted forest mineral soils by soil pH. In contrast, whereas the so-called bioavailable water-soluble metal fraction could be predicted from soil pH, metal concentrations in foliage and the forest floor at each site were not consistently related to pH. Risk assessment of metals should take into account the role of biota in metal cycling and partitioning in forests, particularly if metal bio-accumulation and chronic toxicity in the food chain, rather than metal mobility in soils, are of primary concern. - Metal cycling by plants should be considered in risk assessment studies

Generalized Enhanced Multivariance Product Representation for Data Partitioning: Constancy Level

International Nuclear Information System (INIS)

Tunga, M. Alper; Demiralp, Metin

2011-01-01

Enhanced Multivariance Product Representation (EMPR) method is used to represent multivariate functions in terms of less-variate structures. The EMPR method extends the HDMR expansion by inserting some additional support functions to increase the quality of the approximants obtained for dominantly or purely multiplicative analytical structures. This work aims to develop the generalized form of the EMPR method to be used in multivariate data partitioning approaches. For this purpose, the Generalized HDMR philosophy is taken into consideration to construct the details of the Generalized EMPR at constancy level as the introductory steps and encouraging results are obtained in data partitioning problems by using our new method. In addition, to examine this performance, a number of numerical implementations with concluding remarks are given at the end of this paper.

An Efficient Technique for Hardware/Software Partitioning Process in Codesign

Directory of Open Access Journals (Sweden)

Imene Mhadhbi

2016-01-01

Full Text Available Codesign methodology deals with the problem of designing complex embedded systems, where automatic hardware/software partitioning is one key issue. The research efforts in this issue are focused on exploring new automatic partitioning methods which consider only binary or extended partitioning problems. The main contribution of this paper is to propose a hybrid FCMPSO partitioning technique, based on Fuzzy C-Means (FCM and Particle Swarm Optimization (PSO algorithms suitable for mapping embedded applications for both binary and multicores target architecture. Our FCMPSO optimization technique has been compared using different graphical models with a large number of instances. Performance analysis reveals that FCMPSO outperforms PSO algorithm as well as the Genetic Algorithm (GA, Simulated Annealing (SA, Ant Colony Optimization (ACO, and FCM standard metaheuristic based techniques and also hybrid solutions including PSO then GA, GA then SA, GA then ACO, ACO then SA, FCM then GA, FCM then SA, and finally ACO followed by FCM.

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.

Structuring heterogeneous biological information using fuzzy clustering of k-partite graphs

Directory of Open Access Journals (Sweden)

Theis Fabian J

2010-10-01

Full Text Available Abstract Background Extensive and automated data integration in bioinformatics facilitates the construction of large, complex biological networks. However, the challenge lies in the interpretation of these networks. While most research focuses on the unipartite or bipartite case, we address the more general but common situation of k-partite graphs. These graphs contain k different node types and links are only allowed between nodes of different types. In order to reveal their structural organization and describe the contained information in a more coarse-grained fashion, we ask how to detect clusters within each node type. Results Since entities in biological networks regularly have more than one function and hence participate in more than one cluster, we developed a k-partite graph partitioning algorithm that allows for overlapping (fuzzy clusters. It determines for each node a degree of membership to each cluster. Moreover, the algorithm estimates a weighted k-partite graph that connects the extracted clusters. Our method is fast and efficient, mimicking the multiplicative update rules commonly employed in algorithms for non-negative matrix factorization. It facilitates the decomposition of networks on a chosen scale and therefore allows for analysis and interpretation of structures on various resolution levels. Applying our algorithm to a tripartite disease-gene-protein complex network, we were able to structure this graph on a large scale into clusters that are functionally correlated and biologically meaningful. Locally, smaller clusters enabled reclassification or annotation of the clusters' elements. We exemplified this for the transcription factor MECP2. Conclusions In order to cope with the overwhelming amount of information available from biomedical literature, we need to tackle the challenge of finding structures in large networks with nodes of multiple types. To this end, we presented a novel fuzzy k-partite graph partitioning

Real-Time Measurements of Gas/Particle Partitioning of Semivolatile Organic Compounds into Different Probe Particles in a Teflon Chamber

Science.gov (United States)

Liu, X.; Day, D. A.; Ziemann, P. J.; Krechmer, J. E.; Jimenez, J. L.

2017-12-01

The partitioning of semivolatile organic compounds (SVOCs) into and out of particles plays an essential role in secondary organic aerosol (SOA) formation and evolution. Most atmospheric models treat the gas/particle partitioning as an equilibrium between bulk gas and particle phases, despite potential kinetic limitations and differences in thermodynamics as a function of SOA and pre-existing OA composition. This study directly measures the partitioning of oxidized compounds in a Teflon chamber in the presence of single component seeds of different phases and polarities, including oleic acid, squalane, dioctyl sebacate, pentaethylene glycol, dry/wet ammonium sulfate, and dry/wet sucrose. The oxidized compounds are generated by a fast OH oxidation of a series of alkanols under high nitric oxide conditions. The observed SOA mass enhancements are highest with oleic acid, and lowest with wet ammonium sulfate and sucrose. A chemical ionization mass spectrometer (CIMS) was used to measure the decay of gas-phase organic nitrates, which reflects uptake by particles and chamber walls. We observed clear changes in equilibrium timescales with varying seed concentrations and in equilibrium gas-phase concentrations across different seeds. In general, the gas evolution can be reproduced by a kinetic box model that considers partitioning and evaporation with particles and chamber walls, except for the wet sucrose system. The accommodation coefficient and saturation mass concentration of each species in the presence of each seed are derived using the model. The changes in particle size distributions and composition monitored by a scanning mobility particle sizer (SMPS) and a high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) are investigated to probe the SOA formation mechanism. Based on these results, the applicability of partitioning theory to these systems and the relevant quantitative parameters, including the dependencies on seed particle composition, will

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.

A matrix model for WZW

International Nuclear Information System (INIS)

Dorey, Nick; Tong, David; Turner, Carl

2016-01-01

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

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.

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...

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.

Covariance Partition Priors: A Bayesian Approach to Simultaneous Covariance Estimation for Longitudinal Data.

Science.gov (United States)

Gaskins, J T; Daniels, M J

2016-01-02

The estimation of the covariance matrix is a key concern in the analysis of longitudinal data. When data consists of multiple groups, it is often assumed the covariance matrices are either equal across groups or are completely distinct. We seek methodology to allow borrowing of strength across potentially similar groups to improve estimation. To that end, we introduce a covariance partition prior which proposes a partition of the groups at each measurement time. Groups in the same set of the partition share dependence parameters for the distribution of the current measurement given the preceding ones, and the sequence of partitions is modeled as a Markov chain to encourage similar structure at nearby measurement times. This approach additionally encourages a lower-dimensional structure of the covariance matrices by shrinking the parameters of the Cholesky decomposition toward zero. We demonstrate the performance of our model through two simulation studies and the analysis of data from a depression study. This article includes Supplementary Material available online.

Octanol-Water Partition Coefficient from 3D-RISM-KH Molecular Theory of Solvation with Partial Molar Volume Correction.

Science.gov (United States)

Huang, WenJuan; Blinov, Nikolay; Kovalenko, Andriy

2015-04-30

The octanol-water partition coefficient is an important physical-chemical characteristic widely used to describe hydrophobic/hydrophilic properties of chemical compounds. The partition coefficient is related to the transfer free energy of a compound from water to octanol. Here, we introduce a new protocol for prediction of the partition coefficient based on the statistical-mechanical, 3D-RISM-KH molecular theory of solvation. It was shown recently that with the compound-solvent correlation functions obtained from the 3D-RISM-KH molecular theory of solvation, the free energy functional supplemented with the correction linearly related to the partial molar volume obtained from the Kirkwood-Buff/3D-RISM theory, also called the "universal correction" (UC), provides accurate prediction of the hydration free energy of small compounds, compared to explicit solvent molecular dynamics [ Palmer , D. S. ; J. Phys.: Condens. Matter 2010 , 22 , 492101 ]. Here we report that with the UC reparametrized accordingly this theory also provides an excellent agreement with the experimental data for the solvation free energy in nonpolar solvent (1-octanol) and so accurately predicts the octanol-water partition coefficient. The performance of the Kovalenko-Hirata (KH) and Gaussian fluctuation (GF) functionals of the solvation free energy, with and without UC, is tested on a large library of small compounds with diverse functional groups. The best agreement with the experimental data for octanol-water partition coefficients is obtained with the KH-UC solvation free energy functional.

An OSKit-Based Implementation of Least Privilege Separation Kernel Memory Partitioning

National Research Council Canada - National Science Library

Carter, Donald W

2007-01-01

.... This work is to build a working prototype of selected TCX kernel functionality. The prototype is constructed and based on OSKit, and restricts information flow between memory partitions and resource accesses...

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

Effects of Gas-Wall Partitioning in Teflon Tubing, Instrumentation and Other Materials on Time-Resolved Measurements of Gas-Phase Organic Compounds

Science.gov (United States)

Pagonis, D.; Deming, B.; Krechmer, J. E.; De Gouw, J. A.; Jimenez, J. L.; Ziemann, P. J.

2017-12-01

Recently it has been shown that gas-phase organic compounds partition to and from the walls of Teflon environmental chambers. This process is fast, reversible, and can be modeled as absorptive partitioning. Here these studies were extended to investigate gas-wall partitioning inside Teflon tubing by introducing step function changes in the concentration of compounds being sampled and measuring the delay in the response of a proton transfer reaction-mass spectrometer (PTR-MS). We find that these delays are significant for compounds with a saturation vapor concentration (c*) below 106 μg m-3, and that the Teflon tubing and the PTR-MS both contribute to the delays. Tubing delays range from minutes to hours under common sampling conditions and can be accurately predicted by a simple chromatography model across a range of tubing lengths and diameters, flow rates, compound functional groups, and c*. This method also allows one to determine the volatility-dependent response function of an instrument, which can be convolved with the output of the tubing model to correct for delays in instrument response time for these "sticky" compounds. This correction is expected to be of particular interest to researchers utilizing and developing chemical ionization mass spectrometry (CIMS) techniques, since many of the multifunctional organic compounds detected by CIMS show significant tubing and instrument delays. These results also enable better design of sampling systems, in particular when fast instrument response is needed, such as for rapid transients, aircraft, or eddy covariance measurements. Additional results presented here extend this method to quantify the relative sorptive capacities for other commonly used tubing materials, including PFA, FEP, PTFE, PEEK, glass, copper, stainless steel, and passivated steel.

Deformation Partitioning: The Missing Link Between Outcrop-Scale Observations And Orogen-Scale Processes

Science.gov (United States)

Attia, S.; Paterson, S. R.; Jiang, D.; Miller, R. B.

2017-12-01

Structural studies of orogenic deformation fields are mostly based on small-scale structures ubiquitous in field exposures, hand samples, and under microscopes. Relating deformation histories derived from such structures to changing lithospheric-scale deformation and boundary conditions is not trivial due to vast scale separation (10-6 107 m) between characteristic lengths of small-scale structures and lithospheric plates. Rheological heterogeneity over the range of orogenic scales will lead to deformation partitioning throughout intervening scales of structural development. Spectacular examples of structures documenting deformation partitioning are widespread within hot (i.e., magma-rich) orogens such as the well-studied central Sierra Nevada and Cascades core of western North America: (1) deformation partitioned into localized, narrow, triclinic shear zones separated by broad domains of distributed pure shear at micro- to 10 km scales; (2) deformation partitioned between plutons and surrounding metamorphic host rocks as shown by pluton-wide magmatic fabrics consistently oriented differently than coeval host rock fabrics; (3) partitioning recorded by different fabric intensities, styles, and orientations established from meter-scale grid mapping to 100 km scale domainal analyses; and (4) variations in the causes of strain and kinematics within fold-dominated domains. These complex, partitioned histories require synthesized mapping, geochronology, and structural data at all scales to evaluate partitioning and in the absence of correct scaling can lead to incorrect interpretations of histories. Forward modeling capable of addressing deformation partitioning in materials containing multiple scales of rheologically heterogeneous elements of varying characteristic lengths provides the ability to upscale the large synthesized datasets described above to plate-scale tectonic processes and boundary conditions. By comparing modeling predictions from the recently developed

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.

Purification of biomaterials by phase partitioning

Science.gov (United States)

Harris, J. M.

1984-01-01

A technique which is particularly suited to microgravity environments and which is potentially more powerful than electrophoresis is phase partitioning. Phase partitioning is purification by partitioning between the two immiscible aqueous layers formed by solution of the polymers poly(ethylene glycol) and dextran in water. This technique proved to be very useful for separations in one-g but is limited for cells because the cells are more dense than the phase solutions thus tend to sediment to the bottom of the container before reaching equilibrium with the preferred phase. There are three phases to work in this area: synthesis of new polymers for affinity phase partitioning; development of automated apparatus for ground-based separations; and design of apparatus for performing simple phase partitioning space experiments, including examination of mechanisms for separating phases in the absence of gravity.

On the partitioning method and the perturbation quantum theory - discrete spectra

International Nuclear Information System (INIS)

Logrado, P.G.

1982-05-01

Lower and upper bounds to eigenvalues of the Schroedinger equation H Ψ = E Ψ (H = H 0 + V) and the convergence condition, in Schonberg's perturbation theory, are presented. These results are obtained using the partitioning technique. It is presented for the first time a perturbation treatment obtained when the reference function in the partitioning technique is chosen to be a true eigenfunction Ψ. The convergence condition and upper and lower bounds for the true eigenvalues E are derived in this formulation. The concept of the reaction and wave operators is also discussed. (author)

Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics simulations and COSMOmic

Science.gov (United States)

Jakobtorweihen, S.; Zuniga, A. Chaides; Ingram, T.; Gerlach, T.; Keil, F. J.; Smirnova, I.

2014-07-01

Quantitative predictions of biomembrane/water partition coefficients are important, as they are a key property in pharmaceutical applications and toxicological studies. Molecular dynamics (MD) simulations are used to calculate free energy profiles for different solutes in lipid bilayers. How to calculate partition coefficients from these profiles is discussed in detail and different definitions of partition coefficients are compared. Importantly, it is shown that the calculated coefficients are in quantitative agreement with experimental results. Furthermore, we compare free energy profiles from MD simulations to profiles obtained by the recent method COSMOmic, which is an extension of the conductor-like screening model for realistic solvation to micelles and biomembranes. The free energy profiles from these molecular methods are in good agreement. Additionally, solute orientations calculated with MD and COSMOmic are compared and again a good agreement is found. Four different solutes are investigated in detail: 4-ethylphenol, propanol, 5-phenylvaleric acid, and dibenz[a,h]anthracene, whereby the latter belongs to the class of polycyclic aromatic hydrocarbons. The convergence of the free energy profiles from biased MD simulations is discussed and the results are shown to be comparable to equilibrium MD simulations. For 5-phenylvaleric acid the influence of the carboxyl group dihedral angle on free energy profiles is analyzed with MD simulations.

Predicting solute partitioning in lipid bilayers: Free energies and partition coefficients from molecular dynamics simulations and COSMOmic

International Nuclear Information System (INIS)

Jakobtorweihen, S.; Ingram, T.; Gerlach, T.; Smirnova, I.; Zuniga, A. Chaides; Keil, F. J.

2014-01-01

Quantitative predictions of biomembrane/water partition coefficients are important, as they are a key property in pharmaceutical applications and toxicological studies. Molecular dynamics (MD) simulations are used to calculate free energy profiles for different solutes in lipid bilayers. How to calculate partition coefficients from these profiles is discussed in detail and different definitions of partition coefficients are compared. Importantly, it is shown that the calculated coefficients are in quantitative agreement with experimental results. Furthermore, we compare free energy profiles from MD simulations to profiles obtained by the recent method COSMOmic, which is an extension of the conductor-like screening model for realistic solvation to micelles and biomembranes. The free energy profiles from these molecular methods are in good agreement. Additionally, solute orientations calculated with MD and COSMOmic are compared and again a good agreement is found. Four different solutes are investigated in detail: 4-ethylphenol, propanol, 5-phenylvaleric acid, and dibenz[a,h]anthracene, whereby the latter belongs to the class of polycyclic aromatic hydrocarbons. The convergence of the free energy profiles from biased MD simulations is discussed and the results are shown to be comparable to equilibrium MD simulations. For 5-phenylvaleric acid the influence of the carboxyl group dihedral angle on free energy profiles is analyzed with MD simulations

Betweenness-based algorithm for a partition scale-free graph

International Nuclear Information System (INIS)

Zhang Bai-Da; Wu Jun-Jie; Zhou Jing; Tang Yu-Hua

2011-01-01

Many real-world networks are found to be scale-free. However, graph partition technology, as a technology capable of parallel computing, performs poorly when scale-free graphs are provided. The reason for this is that traditional partitioning algorithms are designed for random networks and regular networks, rather than for scale-free networks. Multilevel graph-partitioning algorithms are currently considered to be the state of the art and are used extensively. In this paper, we analyse the reasons why traditional multilevel graph-partitioning algorithms perform poorly and present a new multilevel graph-partitioning paradigm, top down partitioning, which derives its name from the comparison with the traditional bottom—up partitioning. A new multilevel partitioning algorithm, named betweenness-based partitioning algorithm, is also presented as an implementation of top—down partitioning paradigm. An experimental evaluation of seven different real-world scale-free networks shows that the betweenness-based partitioning algorithm significantly outperforms the existing state-of-the-art approaches. (interdisciplinary physics and related areas of science and technology)

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.

The relative importance of the adsorption and partitioning mechanisms in hydrophilic interaction liquid chromatography.

Science.gov (United States)

Gritti, Fabrice; Höltzel, Alexandra; Tallarek, Ulrich; Guiochon, Georges

2015-01-09

We propose an original model of effective diffusion along packed beds of mesoporous particles for HILIC developed by combining Torquatos model for heterogeneous beds (external eluent+particles), Landauers model for porous particles (solid skeleton+internal eluent), and the time-averaged model for the internal eluent (bulk phase+diffuse water (W) layer+rigid W layer). The new model allows to determine the analyte concentration in rigid and diffuse W layer from the experimentally determined retention factor and intra-particle diffusivity and thus to distinguish the retentive contributions from adsorption and partitioning. We apply the model to investigate the separation of toluene (TO, as a non-retained compound), nortriptyline (NT), cytosine (CYT), and niacin (NA) on an organic ethyl/inorganic silica hybrid adsorbent. Elution conditions are varied through the choice of a third solvent (W, ethanol, tetrahydrofuran (THF), acetonitrile (ACN), or n-hexane) in a mobile phase (MP) of ACN/aqueous acetate buffer (pH 5)/third solvent (90/5/5, v/v/v). Whereas NA and CYT retention factors increase monotonously from W to n-hexane as third solvent, NT retention reaches its maximum with polar aprotic third solvents. The involved equilibrium constants for adsorption and partitioning, however, do not follow the same trends as the overall retention factors. NT retention is dominated by partitioning and NA retention by adsorption, while CYT retention is controlled by adsorption rather than partitioning. Our results reveal that the relative importance of adsorption and partitioning mechanisms depends in a complex way from analyte properties and experimental parameters and cannot be predicted generally. Copyright © 2014 Elsevier B.V. All rights reserved.

Effects of shading on dry matter partitioning and yield of field-grown sunflower

International Nuclear Information System (INIS)

Villalobos, F.J.; Soriano, A.; Fereres, E.

1992-01-01

Crop simulation models require quantitative descriptions of the effects of irradiance on dry matter partition and yield. The objective of this work was to quantify the effects of reduced radiation intensity during different phenological stages on the growth, dry matter partitioning and grain numbers of sunflower (Helianthus annuus, L.). A field experiment was carried out in 1990 with 50 per cent shading treatments. The earliest treatment began at crop emergence while the latest ended at first anthesis. Shading had little effect on plant leaf area growth but reduced biomass and yield. The dry matter: radiation quotient and specific leaf area increased with shading. Grain number per head was decreased by shading, with the greatest effect occurring when shading was applied prior to anthesis. All shading treatments increased dry matter partitioning to stems, decreased assimilate partitioning to the heads and had no effect on the partitioning to leaves. (author)

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)

Influence of biochar on isoproturon partitioning and bioaccessibility in soil.

Science.gov (United States)

Reid, B J; Pickering, F L; Freddo, A; Whelan, M J; Coulon, F

2013-10-01

The influence of biochar (5%) on the loss, partitioning and bioaccessibility of (14)C-isoproturon ((14)C-IPU) was evaluated. Results indicated that biochar had a dramatic effect upon (14)C-IPU partitioning: (14)C-IPU extractability (0.01 M CaCl2) in biochar-amended treatments was reduced to <2% while, (14)C-IPU extractability in biochar free treatments decreased with ageing from 90% to 40%. A partitioning model was constructed to derive an effective partition coefficient for biochar:water (KBW of 7.82 × 10(4) L kg(-1)). This was two orders of magnitude greater than the apparent Kfoc value of the soil organic carbon:water (631 L kg(-1)). (14)C-radiorespirometry assays indicated high competence of microorganisms to mineralise (14)C-IPU in the absence of biochar (40.3 ± 0.9%). Where biochar was present (14)C-IPU mineralisation never exceeded 2%. These results indicate reduced herbicide bioaccessibility. Increasing IPU application to ×10 its recommended dose was ineffective at redressing IPU sequestration and its low bioaccessibility. Copyright © 2013 Elsevier Ltd. All rights reserved.

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.

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.

Partitioning net ecosystem carbon exchange into net assimilation and respiration using 13CO2 measurements: A cost-effective sampling strategy

Science.gov (United States)

OgéE, J.; Peylin, P.; Ciais, P.; Bariac, T.; Brunet, Y.; Berbigier, P.; Roche, C.; Richard, P.; Bardoux, G.; Bonnefond, J.-M.

2003-06-01

The current emphasis on global climate studies has led the scientific community to set up a number of sites for measuring the long-term biosphere-atmosphere net CO2 exchange (net ecosystem exchange, NEE). Partitioning this flux into its elementary components, net assimilation (FA), and respiration (FR), remains necessary in order to get a better understanding of biosphere functioning and design better surface exchange models. Noting that FR and FA have different isotopic signatures, we evaluate the potential of isotopic 13CO2 measurements in the air (combined with CO2 flux and concentration measurements) to partition NEE into FR and FA on a routine basis. The study is conducted at a temperate coniferous forest where intensive isotopic measurements in air, soil, and biomass were performed in summer 1997. The multilayer soil-vegetation-atmosphere transfer model MuSICA is adapted to compute 13CO2 flux and concentration profiles. Using MuSICA as a "perfect" simulator and taking advantage of the very dense spatiotemporal resolution of the isotopic data set (341 flasks over a 24-hour period) enable us to test each hypothesis and estimate the performance of the method. The partitioning works better in midafternoon when isotopic disequilibrium is strong. With only 15 flasks, i.e., two 13CO2 nighttime profiles (to estimate the isotopic signature of FR) and five daytime measurements (to perform the partitioning) we get mean daily estimates of FR and FA that agree with the model within 15-20%. However, knowledge of the mesophyll conductance seems crucial and may be a limitation to the method.

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.

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.)

A physically based catchment partitioning method for hydrological analysis

Science.gov (United States)

Menduni, Giovanni; Riboni, Vittoria

2000-07-01

We propose a partitioning method for the topographic surface, which is particularly suitable for hydrological distributed modelling and shallow-landslide distributed modelling. The model provides variable mesh size and appears to be a natural evolution of contour-based digital terrain models. The proposed method allows the drainage network to be derived from the contour lines. The single channels are calculated via a search for the steepest downslope lines. Then, for each network node, the contributing area is determined by means of a search for both steepest upslope and downslope lines. This leads to the basin being partitioned into physically based finite elements delimited by irregular polygons. In particular, the distributed computation of local geomorphological parameters (i.e. aspect, average slope and elevation, main stream length, concentration time, etc.) can be performed easily for each single element. The contributing area system, together with the information on the distribution of geomorphological parameters provide a useful tool for distributed hydrological modelling and simulation of environmental processes such as erosion, sediment transport and shallow landslides.

Partitioning Behavior of Organic Contaminants in Carbon Storage Environments: A Critical Review

Energy Technology Data Exchange (ETDEWEB)

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

2012-12-04

Carbon capture and storage is a promising strategy for mitigating the CO{sub 2} contribution to global climate change. The large scale implementation of the technology mandates better understanding of the risks associated with CO{sub 2} injection into geologic formations and the subsequent interactions with groundwater resources. The injected supercritical CO{sub 2} (sc-CO{sub 2}) is a nonpolar solvent that can potentially mobilize organic compounds that exist at residual saturation in the formation. Here, we review the partitioning behavior of selected organic compounds typically found in depleted oil reservoirs in the residual oil–brine–sc-CO{sub 2} system under carbon storage conditions. The solubility of pure phase organic compounds in sc-CO{sub 2} and partitioning of organic compounds between water and sc-CO{sub 2} follow trends predicted based on thermodynamics. Compounds with high volatility and low aqueous solubility have the highest potential to partition to sc-CO{sub 2}. The partitioning of low volatility compounds to sc-CO{sub 2} can be enhanced by co-solvency due to the presence of higher volatility compounds in the sc-CO{sub 2}. The effect of temperature, pressure, salinity, pH, and dissolution of water molecules into sc-CO{sub 2} on the partitioning behavior of organic compounds in the residual oil-brine-sc-CO{sub 2} system is discussed. Data gaps and research needs for models to predict the partitioning of organic compounds in brines and from complex mixtures of oils are presented. Models need to be able to better incorporate the effect of salinity and co-solvency, which will require more experimental data from key classes of organic compounds.

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

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.

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

Science.gov (United States)

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

2017-07-01

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

Completeness of classical spin models and universal quantum computation

International Nuclear Information System (INIS)

De las Cuevas, Gemma; Dür, Wolfgang; Briegel, Hans J; Van den Nest, Maarten

2009-01-01

We study mappings between different classical spin systems that leave the partition function invariant. As recently shown in Van den Nest et al (2008 Phys. Rev. Lett. 100 110501), the partition function of the 2D square lattice Ising model in the presence of an inhomogeneous magnetic field can specialize to the partition function of any Ising system on an arbitrary graph. In this sense the 2D Ising model is said to be 'complete'. However, in order to obtain the above result, the coupling strengths on the 2D lattice must assume complex values, and thus do not allow for a physical interpretation. Here we show how a complete model with real—and, hence, 'physical'—couplings can be obtained if the 3D Ising model is considered. We furthermore show how to map general q-state systems with possibly many-body interactions to the 2D Ising model with complex parameters, and give completeness results for these models with real parameters. We also demonstrate that the computational overhead in these constructions is in all relevant cases polynomial. These results are proved by invoking a recently found cross-connection between statistical mechanics and quantum information theory, where partition functions are expressed as quantum mechanical amplitudes. Within this framework, there exists a natural correspondence between many-body quantum states that allow for universal quantum computation via local measurements only, and complete classical spin systems

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,...

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

Aqueous-gas phase partitioning and hydrolysis of organic iodides

International Nuclear Information System (INIS)

Glowa, G.A.; Wren, J.C.

2003-01-01

The volatility and decomposition of organic iodides in a reactor containment building are important parameters to consider when assessing the potential consequences of a nuclear reactor accident. However, there are few experimental data available for the volatilities (often reported as partition coefficients) or few rate constants regarding the decomposition (via hydrolysis) of organic iodides. The partition coefficients and hydrolysis rate constants of eight organic iodides, having a range of molecular structures, have been measured in the current studies. This data, and data accumulated in the literature, have been reviewed and discussed to provide guidelines for appropriate organization of organic iodides for the purpose of modelling iodine behaviour under postulated nuclear reactor accident conditions. After assessment of the partition coefficients and their temperature dependences of many classes of organic compounds, it was found that organic iodides could be divided into two categories based upon their volatility relative to molecular iodine. Similarly, hydrolysis rates and their temperature dependences are assigned to the two categories of organic iodides. (author)

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.

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…

The exactly solvable spin Sutherland model of BN type and its related spin chain

International Nuclear Information System (INIS)

Basu-Mallick, B.; Finkel, F.; González-López, A.

2013-01-01

We compute the spectrum of the su(m) spin Sutherland model of B N type, including the exact degeneracy of all energy levels. By studying the large coupling constant limit of this model and of its scalar counterpart, we evaluate the partition function of their associated spin chain of Haldane–Shastry type in closed form. With the help of the formula for the partition function thus obtained we study the chain's spectrum, showing that it cannot be obtained as a limiting case of its BC N counterpart. The structure of the partition function also suggests that the spectrum of the Haldane–Shastry spin chain of B N type is equivalent to that of a suitable vertex model, as is the case for its A N−1 counterpart, and that the density of its eigenvalues is normally distributed when the number of sites N tends to infinity. We analyze this last conjecture numerically using again the explicit formula for the partition function, and check its validity for several values of N and m.

Generating Milton Babbitt's all-partition arrays

OpenAIRE

Bemman, Brian; Meredith, David

2016-01-01

In most of Milton Babbitt's (1916–2011) works written since the early 1960s, both the pitch and rhythmic content is organized according to a highly constrained structure known as the all-partition array. The all-partition array provides a framework that ensures that as many different forms of a tone row as possible (generated by any combination of transposition, inversion or reversal) are expressed 'horizontally' and that each integer partition of 12 whose cardinality is no greater than the n...

Lift of dilogarithm to partition identities

International Nuclear Information System (INIS)

Terhoeven, M.

1992-11-01

For the whole set of dilogarithm identities found recently using the thermodynamic Bethe-Ansatz for the ADET series of purely elastic scattering theories we give partition identities which involve characters of those conformal field theories which correspond to the UV-limits of the scattering theories. These partition identities in turn allow to derive the dilogarithm identities using modular invariance and a saddle point approximation. We conjecture on possible generalizations of this correspondance, namely, a lift from dilogarithm to partition identities. (orig.)

Prediction of octanol-water partition coefficients of organic compounds by multiple linear regression, partial least squares, and artificial neural network.

Science.gov (United States)

Golmohammadi, Hassan

2009-11-30

A quantitative structure-property relationship (QSPR) study was performed to develop models those relate the structure of 141 organic compounds to their octanol-water partition coefficients (log P(o/w)). A genetic algorithm was applied as a variable selection tool. Modeling of log P(o/w) of these compounds as a function of theoretically derived descriptors was established by multiple linear regression (MLR), partial least squares (PLS), and artificial neural network (ANN). The best selected descriptors that appear in the models are: atomic charge weighted partial positively charged surface area (PPSA-3), fractional atomic charge weighted partial positive surface area (FPSA-3), minimum atomic partial charge (Qmin), molecular volume (MV), total dipole moment of molecule (mu), maximum antibonding contribution of a molecule orbital in the molecule (MAC), and maximum free valency of a C atom in the molecule (MFV). The result obtained showed the ability of developed artificial neural network to prediction of partition coefficients of organic compounds. Also, the results revealed the superiority of ANN over the MLR and PLS models. Copyright 2009 Wiley Periodicals, Inc.

Data Partitioning Technique for Improved Video Prioritization

Directory of Open Access Journals (Sweden)

Ismail Amin Ali

2017-07-01

Full Text Available A compressed video bitstream can be partitioned according to the coding priority of the data, allowing prioritized wireless communication or selective dropping in a congested channel. Known as data partitioning in the H.264/Advanced Video Coding (AVC codec, this paper introduces a further sub-partition of one of the H.264/AVC codec’s three data-partitions. Results show a 5 dB improvement in Peak Signal-to-Noise Ratio (PSNR through this innovation. In particular, the data partition containing intra-coded residuals is sub-divided into data from: those macroblocks (MBs naturally intra-coded, and those MBs forcibly inserted for non-periodic intra-refresh. Interactive user-to-user video streaming can benefit, as then HTTP adaptive streaming is inappropriate and the High Efficiency Video Coding (HEVC codec is too energy demanding.

The partition dimension of cycle books graph

Science.gov (United States)

Santoso, Jaya; Darmaji

2018-03-01

Let G be a nontrivial and connected graph with vertex set V(G), edge set E(G) and S ⊆ V(G) with v ∈ V(G), the distance between v and S is d(v,S) = min{d(v,x)|x ∈ S}. For an ordered partition ∏ = {S 1, S 2, S 3,…, Sk } of V(G), the representation of v with respect to ∏ is defined by r(v|∏) = (d(v, S 1), d(v, S 2),…, d(v, Sk )). The partition ∏ is called a resolving partition of G if all representations of vertices are distinct. The partition dimension pd(G) is the smallest integer k such that G has a resolving partition set with k members. In this research, we will determine the partition dimension of Cycle Books {B}{Cr,m}. Cycle books graph {B}{Cr,m} is a graph consisting of m copies cycle Cr with the common path P 2. It is shown that the partition dimension of cycle books graph, pd({B}{C3,m}) is 3 for m = 2, 3, and m for m ≥ 4. pd({B}{C4,m}) is 3 + 2k for m = 3k + 2, 4 + 2(k ‑ 1) for m = 3k + 1, and 3 + 2(k ‑ 1) for m = 3k. pd({B}{C5,m}) is m + 1.

Quantum Dilogarithms and Partition q-Series

Science.gov (United States)

Kato, Akishi; Terashima, Yuji

2015-08-01

In our previous work (Kato and Terashima, Commun Math Phys. arXiv:1403.6569, 2014), we introduced the partition q-series for mutation loop γ—a loop in exchange quiver. In this paper, we show that for a certain class of mutation sequences, called reddening sequences, the graded version of partition q-series essentially coincides with the ordered product of quantum dilogarithm associated with each mutation; the partition q-series provides a state-sum description of combinatorial Donaldson-Thomas invariants introduced by Keller.

Gas/particle partitioning behaviour of azaarenes in an urban atmosphere.

Science.gov (United States)

Chen, H Y; Preston, M R

1997-01-01

The gas/particle partitioning of azaarenes in the Liverpool urban atmosphere was measured from May 1995 to April 1996. This period included one of the hottest summers and coldest winters recorded in the UK. The changes of the relative proportions of particulate and vapour phases showed a strong seasonal variation in which over 80% of azaarene compounds are associated with the particles in the winter and over 60% of azaarene compounds exist as vapour phase during the summer. The results are fitted into a gas/particle partitioning equation. Calculated vapour pressures, vaporization and desorption enthalpies are also given. Azaarene partitioning behaviour is modelled at a variety of aerosol concentrations and over a temperature range which includes normal ambient temperatures. It is hypothesised that three ring azaarene species are more likely to undergo changes in the relative proportions of particle and vapour phase material than either two or four ring compounds.

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.

Reconstruction of a piecewise constant conductivity on a polygonal partition via shape optimization in EIT

Science.gov (United States)

Beretta, Elena; Micheletti, Stefano; Perotto, Simona; Santacesaria, Matteo

2018-01-01

In this paper, we develop a shape optimization-based algorithm for the electrical impedance tomography (EIT) problem of determining a piecewise constant conductivity on a polygonal partition from boundary measurements. The key tool is to use a distributed shape derivative of a suitable cost functional with respect to movements of the partition. Numerical simulations showing the robustness and accuracy of the method are presented for simulated test cases in two dimensions.

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.

Spatially Partitioned Embedded Runge--Kutta Methods

KAUST Repository

Ketcheson, David I.

2013-10-30

We study spatially partitioned embedded Runge--Kutta (SPERK) schemes for partial differential equations (PDEs), in which each of the component schemes is applied over a different part of the spatial domain. Such methods may be convenient for problems in which the smoothness of the solution or the magnitudes of the PDE coefficients vary strongly in space. We focus on embedded partitioned methods as they offer greater efficiency and avoid the order reduction that may occur in nonembedded schemes. We demonstrate that the lack of conservation in partitioned schemes can lead to nonphysical effects and propose conservative additive schemes based on partitioning the fluxes rather than the ordinary differential equations. A variety of SPERK schemes are presented, including an embedded pair suitable for the time evolution of fifth-order weighted nonoscillatory spatial discretizations. Numerical experiments are provided to support the theory.

Spatially Partitioned Embedded Runge--Kutta Methods

KAUST Repository

Ketcheson, David I.; MacDonald, Colin B.; Ruuth, Steven J.

2013-01-01

We study spatially partitioned embedded Runge--Kutta (SPERK) schemes for partial differential equations (PDEs), in which each of the component schemes is applied over a different part of the spatial domain. Such methods may be convenient for problems in which the smoothness of the solution or the magnitudes of the PDE coefficients vary strongly in space. We focus on embedded partitioned methods as they offer greater efficiency and avoid the order reduction that may occur in nonembedded schemes. We demonstrate that the lack of conservation in partitioned schemes can lead to nonphysical effects and propose conservative additive schemes based on partitioning the fluxes rather than the ordinary differential equations. A variety of SPERK schemes are presented, including an embedded pair suitable for the time evolution of fifth-order weighted nonoscillatory spatial discretizations. Numerical experiments are provided to support the theory.

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.

Atmospheric concentrations and phase partitioning of polycyclic aromatic hydrocarbons in Izmir, Turkey

Energy Technology Data Exchange (ETDEWEB)

Demircioglu, Eylem; Odabasi, Mustafa [Faculty of Engineering, Department of Environmental Engineering, Dokuz Eylul University, Izmir (Turkey); Sofuoglu, Aysun [Faculty of Engineering, Department of Chemical Engineering, Izmir Institute of Technology, Gulbahce-Urla (Turkey)

2011-04-15

Ambient air polycyclic aromatic hydrocarbon (PAH) samples were collected at a suburban (n = 63) and at an urban site (n = 14) in Izmir, Turkey. Average gas-phase total PAH (sum {sub 14}PAH) concentrations were 23.5 ng m{sup -3} for suburban and 109.7 ng m{sup -3} for urban sites while average particle-phase total PAH concentrations were 12.3 and 34.5 ng m{sup -3} for suburban and urban sites, respectively. Higher ambient PAH concentrations were measured in the gas-phase and sum {sub 14}PAH concentrations were dominated by lower molecular weight PAHs. Multiple linear regression analysis indicated that the meteorological parameters were effective on ambient PAH concentrations. Emission sources of particle-phase PAHs were investigated using a diagnostic plot of fluorene (FLN)/(fluorine + pyrene; PY) versus indeno[1,2,3-cd]PY/(indeno[1,2,3-cd]PY + benzo[g,h,i]perylene) and several diagnostic ratios. These approaches have indicated that traffic emissions (petroleum combustion) were the dominant PAH sources at both sites for summer and winter seasons. Experimental gas-particle partition coefficients (K{sub P}) were compared to the predictions of octanol-air (K{sub OA}) and soot-air (K{sub SA}) partition coefficient models. The correlations between experimental and modeled K{sub P} values were significant (r{sup 2} = 0.79 and 0.94 for suburban and urban sites, respectively, p < 0.01). Octanol-based absorptive partitioning model predicted lower partition coefficients especially for relatively volatile PAHs. However, overall there was a relatively good agreement between the measured K{sub P} and soot-based model predictions. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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.

Partition coefficient n-octanol/water of propranolol and atenolol at different temperatures: Experimental and theoretical studies

International Nuclear Information System (INIS)

Mohsen-Nia, M.; Ebrahimabadi, A.H.; Niknahad, B.

2012-01-01

Highlights: ► n-Octanol/water partition coefficients of propranolol and atenolol were measured. ► The effect of temperature on the partition coefficient was studied. ► The equilibrium data were correlated using the NRTL and UNIQUAC activity models. ► The binary interaction parameters of the activity models were reported. ► It is concluded that propranolol is more hydrophobic than the atenolol at 298.15 K. - Abstract: The n-octanol/water partition coefficients of propranolol and atenolol were experimentally determined by ultraviolet (UV) spectroscopy at T = (298.15, 310.15 and 314.15) K. All measurements were made at the maximum wavelength corresponding to maximum absorption. The results showed that the n-octanol/water partition coefficients of propranolol and atenolol increase with the increase of temperature. The experimental data of this work were also used to examine the phase equilibrium correlating capability of some liquid-phase models. The equilibrium experimental data were correlated using the NRTL and UNIQUAC activity coefficient models and the binary interaction parameters were reported. The average root-mea n-square deviations (RMSD) between the experimental and calculated mass fractions of the (n-octanol + propranolol + water) and (n-octanol + atenolol + water) systems were determined. From the partition coefficients obtained, it is concluded that propranolol (log P ow = 3.12 ± 0.14) is more hydrophobic than the atenolol (log P ow = 0.16 ± 0.01) at T = 298.15 K.

Finite-temperature correlation function for the one-dimensional quantum Ising model:The virial expansion

Science.gov (United States)

Reyes, S. A.; Tsvelik, A. M.

2006-06-01

We rewrite the exact expression for the finite-temperature two-point correlation function for the magnetization as a partition function of some field theory. This removes singularities and provides a convenient form to develop a virial expansion (expansion in powers of the soliton density).

Global unitary fixing and matrix-valued correlations in matrix models

International Nuclear Information System (INIS)

Adler, Stephen L.; Horwitz, Lawrence P.

2003-01-01

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

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.

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

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.

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

On spin and matrix models in the complex plane

International Nuclear Information System (INIS)

Damgaard, P.H.; Heller, U.M.

1993-01-01

We describe various aspects of statistical mechanics defined in the complex temperature or coupling-constant plane. Using exactly solvable models, we analyse such aspects as renormalization group flows in the complex plane, the distribution of partition function zeros, and the question of new coupling-constant symmetries of complex-plane spin models. The double-scaling form of matrix models is shown to be exactly equivalent to finite-size scaling of two-dimensional spin systems. This is used to show that the string susceptibility exponents derived from matrix models can be obtained numerically with very high accuracy from the scaling of finite-N partition function zeros in the complex plane. (orig.)

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.

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

Partitions in languages and parallel computations

Energy Technology Data Exchange (ETDEWEB)

Burgin, M S; Burgina, E S

1982-05-01

Partitions of entries (linguistic structures) are studied that are intended for parallel data processing. The representations of formal languages with the aid of such structures is examined, and the relationships are considered between partitions of entries and abstract families of languages and automata. 18 references.

DISTRIBUTION OF PARASTATISTICS FUNCTIONS: AN OVERVIEW OF THERMODYNAMICS PROPERTIES

Directory of Open Access Journals (Sweden)

R. Yosi Aprian Sari

2016-05-01

Full Text Available This study aims to determine the thermodynamic properties of the parastatistics system of order two. The thermodynamic properties to be searched include the Grand Canonical Partition Function (GCPF Z, and the average number of particles N. These parastatistics systems is in a more general form compared to quantum statistical distribution that has been known previously, i.e.: the Fermi-Dirac (FD and Bose-Einstein (BE. Starting from the recursion relation of grand canonical partition function for parastatistics system of order two that has been known, recuresion linkages for some simple thermodynamic functions for parastatistics system of order two are derived. The recursion linkages are then used to calculate the thermodynamic functions of the model system of identical particles with limited energy levels which is similar to the harmonic oscillator. From these results we concluded that from the Grand Canonical Partition Function (GCPF, Z, the thermodynamics properties of parastatistics system of order two (paraboson and parafermion can be derived and have similar shape with parastatistics system of order one (Boson and Fermion. The similarity of the graph shows similar thermodynamic properties.   Keywords: parastatistics, thermodynamic properties

Partitioned key-value store with atomic memory operations

Energy Technology Data Exchange (ETDEWEB)

Bent, John M.; Faibish, Sorin; Grider, Gary

2017-02-07

A partitioned key-value store is provided that supports atomic memory operations. A server performs a memory operation in a partitioned key-value store by receiving a request from an application for at least one atomic memory operation, the atomic memory operation comprising a memory address identifier; and, in response to the atomic memory operation, performing one or more of (i) reading a client-side memory location identified by the memory address identifier and storing one or more key-value pairs from the client-side memory location in a local key-value store of the server; and (ii) obtaining one or more key-value pairs from the local key-value store of the server and writing the obtained one or more key-value pairs into the client-side memory location identified by the memory address identifier. The server can perform functions obtained from a client-side memory location and return a result to the client using one or more of the atomic memory operations.

Antisymmetrized four-body wave function and coexistence of single particle and cluster structures

International Nuclear Information System (INIS)

Sasakawa, T.

1979-01-01

It is shown that each Yakubovski component of the totally antisymmetric four-body wave function satisfies the same equation as the unantisymmetric wave function. In the antisymmetric total wave function, the wave functions belonging to the same kind of partition are totally antisymmetric among themselves. This leads to the coexistence of cluster models, including the single particle model as a special case of the cluster model, as a sum

Scheduling Driven Partitioning of Heterogeneous Embedded Systems

DEFF Research Database (Denmark)

Pop, Paul; Eles, Petru; Peng, Zebo

1998-01-01

In this paper we present an algorithm for system level hardware/software partitioning of heterogeneous embedded systems. The system is represented as an abstract graph which captures both data-flow and the flow of control. Given an architecture consisting of several processors, ASICs and shared...... busses, our partitioning algorithm finds the partitioning with the smallest hardware cost and is able to predict and guarantee the performance of the system in terms of worst case delay....

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.

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...

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

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.

Influence of biochar on isoproturon partitioning and bioaccessibility in soil

International Nuclear Information System (INIS)

Reid, B.J.; Pickering, F.L.; Freddo, A.; Whelan, M.J.; Coulon, F.

2013-01-01

The influence of biochar (5%) on the loss, partitioning and bioaccessibility of 14 C-isoproturon ( 14 C-IPU) was evaluated. Results indicated that biochar had a dramatic effect upon 14 C-IPU partitioning: 14 C-IPU extractability (0.01 M CaCl 2 ) in biochar-amended treatments was reduced to 14 C-IPU extractability in biochar free treatments decreased with ageing from 90% to 40%. A partitioning model was constructed to derive an effective partition coefficient for biochar:water (K BW of 7.82 × 10 4 L kg −1 ). This was two orders of magnitude greater than the apparent K foc value of the soil organic carbon:water (631 L kg −1 ). 14 C-radiorespirometry assays indicated high competence of microorganisms to mineralise 14 C-IPU in the absence of biochar (40.3 ± 0.9%). Where biochar was present 14 C-IPU mineralisation never exceeded 2%. These results indicate reduced herbicide bioaccessibility. Increasing IPU application to ×10 its recommended dose was ineffective at redressing IPU sequestration and its low bioaccessibility. Highlights: •Biochar had a dramatic effect on IPU partitioning. •IPU extractability was reduced to BW ) was 7.82 × 10 4 L kg −1 . •K BW was 124 times greater than the apparent K foc value of the control. •Biochar precluded microbial bioaccessibility – no catabolic response was observed. -- Biochar dramatically reduced 14 C-IPU extractability ( BW being ×123 greater than the apparent K foc . Correspondingly, microbial bioaccessibility of IPU was negligible

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.

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.

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.

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.

The partitioning of sulfur between multicomponent aqueous fluids and felsic melts

Science.gov (United States)

Binder, Bernd; Wenzel, Thomas; Keppler, Hans

2018-02-01

Sulfur partitioning between melt and fluid phase largely controls the environmental impact of volcanic eruptions. Fluid/melt partitioning data also provide the physical basis for interpreting changes in volcanic gas compositions that are used in eruption forecasts. To better constrain some variables that control the behavior of sulfur in felsic systems, in particular the interaction between different volatiles, we studied the partitioning of sulfur between aqueous fluids and haplogranitic melts at 200 MPa and 750-850 °C as a function of oxygen fugacity (Ni-NiO or Re-ReO2 buffer), melt composition (Al/(Na + K) ratio), and fluid composition (NaCl and CO2 content). The data confirm a first-order influence of oxygen fugacity on the partitioning of sulfur. Under "reducing conditions" (Ni-NiO buffer), D fluid/melt is nearly one order of magnitude larger (323 ± 14 for a metaluminous melt) than under "oxidizing conditions" (Re-ReO2 buffer; 74 ± 5 for a metaluminous melt). This effect is likely related to a major change in sulfur speciation in both melt and fluid. Raman spectra of the quenched fluids show the presence of H2S and HS- under reducing conditions and of SO4 2- and HSO4 - under oxidizing conditions, while SO2 is undetectable. The latter observation suggests that already at the Re-ReO2 buffer, sulfur in the fluid is almost completely in the S6+ state and, therefore, more oxidized than expected according to current models. CO2 in the fluid (up to x CO2 = 0.3) has no effect on the fluid/melt partitioning of sulfur, neither under oxidizing nor under reducing conditions. However, the effect of NaCl depends on redox state. While at oxidizing conditions, D fluid/melt is independent of x NaCl, the fluid/melt partition coefficient strongly decreases with NaCl content under reducing conditions, probably due to a change from H2S to NaSH as dominant sulfur species in the fluid. A decrease of D fluid/melt with alkali content in the melt is observed over the entire

Generating Milton Babbitt's all-partition arrays

DEFF Research Database (Denmark)

Bemman, Brian; Meredith, David

2016-01-01

In most of Milton Babbitt's (1916–2011) works written since the early 1960s, both the pitch and rhythmic content is organized according to a highly constrained structure known as the all-partition array. The all-partition array provides a framework that ensures that as many different forms...

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...

A wavenumber-partitioning scheme for two-dimensional statistical closures

International Nuclear Information System (INIS)

Bowman, J.C.

1994-11-01

One of the principal advantages of statistical closure approximations for fluid turbulence is that they involve smoothly varying functions of wavenumber. This suggests the possibility of modeling a flow by following the evolution of only a few representative wavenumbers. This work presents two new techniques for the implementation of two-dimensional isotropic statistical closures that for the first time allows the inertial-range scalings of these approximation to be numerically demonstrated. A technique of wavenumber partitioning that conserves both energy and enstrophy is developed for two-dimensional statistical closures. Coupled with a new time-stepping scheme based on a variable integrating factor, this advance facilitates the computation of energy spectra over seven wavenumber decades, a task that will clearly remain outside the realm of conventional numerical simulations for the foreseeable future. Within the context of the test-field model, the method is used to demonstrate Kraichnan's logarithmically-corrected scaling for the enstrophy inertial range and to make a quantitative assessment of the effect of replacing the physical Laplacian viscosity with an enhanced hyperviscosity

Higher genus correlators from the hermitian one-matrix model

International Nuclear Information System (INIS)

Ambjoern, J.; Chekhov, L.; Makeenko, Yu.

1992-01-01

We develop an iterative algorithm for the genus expansion of the hermitian NxN one-matrix model (is the Penner model in an external field). By introducing moments of the external field, we prove that the genus g contribution to the m-loop correlator depends only on 3g-2+m lower moments (3g-2 for the partition function). We present the explicit results for the partition function and the one-loop correlator in genus one. We compare the correlators for the hermitian one-matrix model with those at zero momenta for c=1 CFT and show an agreement of the one-loop correlators for genus zero. (orig.)