Minimization of Linear Functionals Defined on| Solutions of Large-Scale Discrete Ill-Posed Problems
DEFF Research Database (Denmark)
Elden, Lars; Hansen, Per Christian; Rojas, Marielba
2003-01-01
The minimization of linear functionals de ned on the solutions of discrete ill-posed problems arises, e.g., in the computation of con dence intervals for these solutions. In 1990, Elden proposed an algorithm for this minimization problem based on a parametric-programming reformulation involving...... the solution of a sequence of trust-region problems, and using matrix factorizations. In this paper, we describe MLFIP, a large-scale version of this algorithm where a limited-memory trust-region solver is used on the subproblems. We illustrate the use of our algorithm in connection with an inverse heat...
Linear Scaling Solution of the Time-Dependent Self-Consistent-Field Equations
Directory of Open Access Journals (Sweden)
Matt Challacombe
2014-03-01
Full Text Available A new approach to solving the Time-Dependent Self-Consistent-Field equations is developed based on the double quotient formulation of Tsiper 2001 (J. Phys. B. Dual channel, quasi-independent non-linear optimization of these quotients is found to yield convergence rates approaching those of the best case (single channel Tamm-Dancoff approximation. This formulation is variational with respect to matrix truncation, admitting linear scaling solution of the matrix-eigenvalue problem, which is demonstrated for bulk excitons in the polyphenylene vinylene oligomer and the (4,3 carbon nanotube segment.
International Nuclear Information System (INIS)
Lipparini, Filippo; Scalmani, Giovanni; Frisch, Michael J.; Lagardère, Louis; Stamm, Benjamin; Cancès, Eric; Maday, Yvon; Piquemal, Jean-Philip; Mennucci, Benedetta
2014-01-01
We present the general theory and implementation of the Conductor-like Screening Model according to the recently developed ddCOSMO paradigm. The various quantities needed to apply ddCOSMO at different levels of theory, including quantum mechanical descriptions, are discussed in detail, with a particular focus on how to compute the integrals needed to evaluate the ddCOSMO solvation energy and its derivatives. The overall computational cost of a ddCOSMO computation is then analyzed and decomposed in the various steps: the different relative weights of such contributions are then discussed for both ddCOSMO and the fastest available alternative discretization to the COSMO equations. Finally, the scaling of the cost of the various steps with respect to the size of the solute is analyzed and discussed, showing how ddCOSMO opens significantly new possibilities when cheap or hybrid molecular mechanics/quantum mechanics methods are used to describe the solute
Energy Technology Data Exchange (ETDEWEB)
Lipparini, Filippo, E-mail: flippari@uni-mainz.de [Sorbonne Universités, UPMC Univ. Paris 06, UMR 7598, Laboratoire Jacques-Louis Lions, F-75005 Paris (France); Sorbonne Universités, UPMC Univ. Paris 06, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris (France); Sorbonne Universités, UPMC Univ. Paris 06, Institut du Calcul et de la Simulation, F-75005 Paris (France); Scalmani, Giovanni; Frisch, Michael J. [Gaussian, Inc., 340 Quinnipiac St. Bldg. 40, Wallingford, Connecticut 06492 (United States); Lagardère, Louis [Sorbonne Universités, UPMC Univ. Paris 06, Institut du Calcul et de la Simulation, F-75005 Paris (France); Stamm, Benjamin [Sorbonne Universités, UPMC Univ. Paris 06, UMR 7598, Laboratoire Jacques-Louis Lions, F-75005 Paris (France); CNRS, UMR 7598 and 7616, F-75005 Paris (France); Cancès, Eric [Université Paris-Est, CERMICS, Ecole des Ponts and INRIA, 6 and 8 avenue Blaise Pascal, 77455 Marne-la-Vallée Cedex 2 (France); Maday, Yvon [Sorbonne Universités, UPMC Univ. Paris 06, UMR 7598, Laboratoire Jacques-Louis Lions, F-75005 Paris (France); Institut Universitaire de France, Paris, France and Division of Applied Maths, Brown University, Providence, Rhode Island 02912 (United States); Piquemal, Jean-Philip [Sorbonne Universités, UPMC Univ. Paris 06, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris (France); CNRS, UMR 7598 and 7616, F-75005 Paris (France); Mennucci, Benedetta [Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via Risorgimento 35, 56126 Pisa (Italy)
2014-11-14
We present the general theory and implementation of the Conductor-like Screening Model according to the recently developed ddCOSMO paradigm. The various quantities needed to apply ddCOSMO at different levels of theory, including quantum mechanical descriptions, are discussed in detail, with a particular focus on how to compute the integrals needed to evaluate the ddCOSMO solvation energy and its derivatives. The overall computational cost of a ddCOSMO computation is then analyzed and decomposed in the various steps: the different relative weights of such contributions are then discussed for both ddCOSMO and the fastest available alternative discretization to the COSMO equations. Finally, the scaling of the cost of the various steps with respect to the size of the solute is analyzed and discussed, showing how ddCOSMO opens significantly new possibilities when cheap or hybrid molecular mechanics/quantum mechanics methods are used to describe the solute.
Linear superposition solutions to nonlinear wave equations
International Nuclear Information System (INIS)
Liu Yu
2012-01-01
The solutions to a linear wave equation can satisfy the principle of superposition, i.e., the linear superposition of two or more known solutions is still a solution of the linear wave equation. We show in this article that many nonlinear wave equations possess exact traveling wave solutions involving hyperbolic, triangle, and exponential functions, and the suitable linear combinations of these known solutions can also constitute linear superposition solutions to some nonlinear wave equations with special structural characteristics. The linear superposition solutions to the generalized KdV equation K(2,2,1), the Oliver water wave equation, and the k(n, n) equation are given. The structure characteristic of the nonlinear wave equations having linear superposition solutions is analyzed, and the reason why the solutions with the forms of hyperbolic, triangle, and exponential functions can form the linear superposition solutions is also discussed
SLAP, Large Sparse Linear System Solution Package
International Nuclear Information System (INIS)
Greenbaum, A.
1987-01-01
1 - Description of program or function: SLAP is a set of routines for solving large sparse systems of linear equations. One need not store the entire matrix - only the nonzero elements and their row and column numbers. Any nonzero structure is acceptable, so the linear system solver need not be modified when the structure of the matrix changes. Auxiliary storage space is acquired and released within the routines themselves by use of the LRLTRAN POINTER statement. 2 - Method of solution: SLAP contains one direct solver, a band matrix factorization and solution routine, BAND, and several interactive solvers. The iterative routines are as follows: JACOBI, Jacobi iteration; GS, Gauss-Seidel Iteration; ILUIR, incomplete LU decomposition with iterative refinement; DSCG and ICCG, diagonal scaling and incomplete Cholesky decomposition with conjugate gradient iteration (for symmetric positive definite matrices only); DSCGN and ILUGGN, diagonal scaling and incomplete LU decomposition with conjugate gradient interaction on the normal equations; DSBCG and ILUBCG, diagonal scaling and incomplete LU decomposition with bi-conjugate gradient iteration; and DSOMN and ILUOMN, diagonal scaling and incomplete LU decomposition with ORTHOMIN iteration
Numerical solution of large sparse linear systems
International Nuclear Information System (INIS)
Meurant, Gerard; Golub, Gene.
1982-02-01
This note is based on one of the lectures given at the 1980 CEA-EDF-INRIA Numerical Analysis Summer School whose aim is the study of large sparse linear systems. The main topics are solving least squares problems by orthogonal transformation, fast Poisson solvers and solution of sparse linear system by iterative methods with a special emphasis on preconditioned conjuguate gradient method [fr
Preface: Introductory Remarks: Linear Scaling Methods
Bowler, D. R.; Fattebert, J.-L.; Gillan, M. J.; Haynes, P. D.; Skylaris, C.-K.
2008-07-01
implementation questions relating to parallelization (particularly with multi-core processors starting to dominate the market) and inherent scaling and basis sets (in both normal and linear scaling codes). For now, the answer seems to lie between 100-1,000 atoms, though this depends on the type of simulation used among other factors. Basis sets are still a problematic question in the area of electronic structure calculations. The linear scaling community has largely split into two camps: those using relatively small basis sets based on local atomic-like functions (where systematic convergence to the full basis set limit is hard to achieve); and those that use necessarily larger basis sets which allow convergence systematically and therefore are the localised equivalent of plane waves. Related to basis sets is the study of Wannier functions, on which some linear scaling methods are based and which give a good point of contact with traditional techniques; they are particularly interesting for modelling unoccupied states with linear scaling methods. There are, of course, as many approaches to linear scaling solution for the density matrix as there are groups in the area, though there are various broad areas: McWeeny-based methods, fragment-based methods, recursion methods, and combinations of these. While many ideas have been in development for several years, there are still improvements emerging, as shown by the rich variety of the talks below. Applications using O(N) DFT methods are now starting to emerge, though they are still clearly not trivial. Once systems to be simulated cross the 10,000 atom barrier, only linear scaling methods can be applied, even with the most efficient standard techniques. One of the most challenging problems remaining, now that ab initio methods can be applied to large systems, is the long timescale problem. Although much of the work presented was concerned with improving the performance of the codes, and applying them to scientificallyimportant
General solution of linear vector supersymmetry
International Nuclear Information System (INIS)
Blasi, Alberto; Maggiore, Nicola
2007-01-01
We give the general solution of the Ward identity for the linear vector supersymmetry which characterizes all topological models. Such a solution, whose expression is quite compact and simple, greatly simplifies the study of theories displaying a supersymmetric algebraic structure, reducing to a few lines the proof of their possible finiteness. In particular, the cohomology technology, usually involved for the quantum extension of these theories, is completely bypassed. The case of Chern-Simons theory is taken as an example
Datta, D P
2003-01-01
A new class of finitely differentiable scale free solutions to the simplest class of ordinary differential equations is presented. Consequently, the real number set gets replaced by an extended physical set, each element of which is endowed with an equivalence class of infinitesimally separated neighbours in the form of random fluctuations. We show how a sense of time and evolution is intrinsically defined by the infinite continued fraction of the golden mean irrational number (Radical radicand 5 -1)/2, which plays a key role in this extended SL(2,R) formalism of calculus analogous to El Naschie's theory of E sup ( supinfinity sup ) spacetime manifold. Time may thereby undergo random inversions generating well defined random scales, thus allowing a dynamical system to evolve self similarly over the set of multiple scales. The late time stochastic fluctuations of a dynamical system enjoys the generic 1/f spectrum. A universal form of the related probability density is also derived. We prove that the golden mea...
International Nuclear Information System (INIS)
Datta, Dhurjati Prasad
2003-01-01
A new class of finitely differentiable scale free solutions to the simplest class of ordinary differential equations is presented. Consequently, the real number set gets replaced by an extended physical set, each element of which is endowed with an equivalence class of infinitesimally separated neighbours in the form of random fluctuations. We show how a sense of time and evolution is intrinsically defined by the infinite continued fraction of the golden mean irrational number (Radical radicand 5 -1)/2, which plays a key role in this extended SL(2,R) formalism of calculus analogous to El Naschie's theory of E (∞) spacetime manifold. Time may thereby undergo random inversions generating well defined random scales, thus allowing a dynamical system to evolve self similarly over the set of multiple scales. The late time stochastic fluctuations of a dynamical system enjoys the generic 1/f spectrum. A universal form of the related probability density is also derived. We prove that the golden mean number is intrinsically random, letting all measurements in the physical universe fundamentally uncertain. The present analysis offers an explanation of the universal occurrence of the golden mean in diverse natural and biological processes as well as the mass spectrum of high energy particle physics
Linear scaling of density functional algorithms
International Nuclear Information System (INIS)
Stechel, E.B.; Feibelman, P.J.; Williams, A.R.
1993-01-01
An efficient density functional algorithm (DFA) that scales linearly with system size will revolutionize electronic structure calculations. Density functional calculations are reliable and accurate in determining many condensed matter and molecular ground-state properties. However, because current DFA's, including methods related to that of Car and Parrinello, scale with the cube of the system size, density functional studies are not routinely applied to large systems. Linear scaling is achieved by constructing functions that are both localized and fully occupied, thereby eliminating the need to calculate global eigenfunctions. It is, however, widely believed that exponential localization requires the existence of an energy gap between the occupied and unoccupied states. Despite this, the authors demonstrate that linear scaling can still be achieved for metals. Using a linear scaling algorithm, they have explicitly constructed localized, almost fully occupied orbitals for the quintessential metallic system, jellium. The algorithm is readily generalizable to any system geometry and Hamiltonian. They will discuss the conceptual issues involved, convergence properties and scaling for their new algorithm
Frequency scaling of linear super-colliders
International Nuclear Information System (INIS)
Mondelli, A.; Chernin, D.; Drobot, A.; Reiser, M.; Granatstein, V.
1986-06-01
The development of electron-positron linear colliders in the TeV energy range will be facilitated by the development of high-power rf sources at frequencies above 2856 MHz. Present S-band technology, represented by the SLC, would require a length in excess of 50 km per linac to accelerate particles to energies above 1 TeV. By raising the rf driving frequency, the rf breakdown limit is increased, thereby allowing the length of the accelerators to be reduced. Currently available rf power sources set the realizable gradient limit in an rf linac at frequencies above S-band. This paper presents a model for the frequency scaling of linear colliders, with luminosity scaled in proportion to the square of the center-of-mass energy. Since wakefield effects are the dominant deleterious effect, a separate single-bunch simulation model is described which calculates the evolution of the beam bunch with specified wakefields, including the effects of using programmed phase positioning and Landau damping. The results presented here have been obtained for a SLAC structure, scaled in proportion to wavelength
Minimal solution of general dual fuzzy linear systems
International Nuclear Information System (INIS)
Abbasbandy, S.; Otadi, M.; Mosleh, M.
2008-01-01
Fuzzy linear systems of equations, play a major role in several applications in various area such as engineering, physics and economics. In this paper, we investigate the existence of a minimal solution of general dual fuzzy linear equation systems. Two necessary and sufficient conditions for the minimal solution existence are given. Also, some examples in engineering and economic are considered
The linear ordering problem: an algorithm for the optimal solution ...
African Journals Online (AJOL)
In this paper we describe and implement an algorithm for the exact solution of the Linear Ordering problem. Linear Ordering is the problem of finding a linear order of the nodes of a graph such that the sum of the weights which are consistent with this order is as large as possible. It is an NP - Hard combinatorial optimisation ...
Solution of linear ill-posed problems using overcomplete dictionaries
Pensky, Marianna
2016-01-01
In the present paper we consider application of overcomplete dictionaries to solution of general ill-posed linear inverse problems. Construction of an adaptive optimal solution for such problems usually relies either on a singular value decomposition or representation of the solution via an orthonormal basis. The shortcoming of both approaches lies in the fact that, in many situations, neither the eigenbasis of the linear operator nor a standard orthonormal basis constitutes an appropriate co...
Iterative solution of large linear systems
Young, David Matheson
1971-01-01
This self-contained treatment offers a systematic development of the theory of iterative methods. Its focal point resides in an analysis of the convergence properties of the successive overrelaxation (SOR) method, as applied to a linear system with a consistently ordered matrix. The text explores the convergence properties of the SOR method and related techniques in terms of the spectral radii of the associated matrices as well as in terms of certain matrix norms. Contents include a review of matrix theory and general properties of iterative methods; SOR method and stationary modified SOR meth
Planning under uncertainty solving large-scale stochastic linear programs
Energy Technology Data Exchange (ETDEWEB)
Infanger, G. [Stanford Univ., CA (United States). Dept. of Operations Research]|[Technische Univ., Vienna (Austria). Inst. fuer Energiewirtschaft
1992-12-01
For many practical problems, solutions obtained from deterministic models are unsatisfactory because they fail to hedge against certain contingencies that may occur in the future. Stochastic models address this shortcoming, but up to recently seemed to be intractable due to their size. Recent advances both in solution algorithms and in computer technology now allow us to solve important and general classes of practical stochastic problems. We show how large-scale stochastic linear programs can be efficiently solved by combining classical decomposition and Monte Carlo (importance) sampling techniques. We discuss the methodology for solving two-stage stochastic linear programs with recourse, present numerical results of large problems with numerous stochastic parameters, show how to efficiently implement the methodology on a parallel multi-computer and derive the theory for solving a general class of multi-stage problems with dependency of the stochastic parameters within a stage and between different stages.
Riccati transformations and principal solutions of discrete linear systems
International Nuclear Information System (INIS)
Ahlbrandt, C.D.; Hooker, J.W.
1984-01-01
Consider a second-order linear matrix difference equation. A definition of principal and anti-principal, or recessive and dominant, solutions of the equation are given and the existence of principal and anti-principal solutions and the essential uniqueness of principal solutions is proven
Polarized atomic orbitals for linear scaling methods
Berghold, Gerd; Parrinello, Michele; Hutter, Jürg
2002-02-01
We present a modified version of the polarized atomic orbital (PAO) method [M. S. Lee and M. Head-Gordon, J. Chem. Phys. 107, 9085 (1997)] to construct minimal basis sets optimized in the molecular environment. The minimal basis set derives its flexibility from the fact that it is formed as a linear combination of a larger set of atomic orbitals. This approach significantly reduces the number of independent variables to be determined during a calculation, while retaining most of the essential chemistry resulting from the admixture of higher angular momentum functions. Furthermore, we combine the PAO method with linear scaling algorithms. We use the Chebyshev polynomial expansion method, the conjugate gradient density matrix search, and the canonical purification of the density matrix. The combined scheme overcomes one of the major drawbacks of standard approaches for large nonorthogonal basis sets, namely numerical instabilities resulting from ill-conditioned overlap matrices. We find that the condition number of the PAO overlap matrix is independent from the condition number of the underlying extended basis set, and consequently no numerical instabilities are encountered. Various applications are shown to confirm this conclusion and to compare the performance of the PAO method with extended basis-set calculations.
Scaling solutions for dilaton quantum gravity
Energy Technology Data Exchange (ETDEWEB)
Henz, T.; Pawlowski, J.M., E-mail: j.pawlowski@thphys.uni-heidelberg.de; Wetterich, C.
2017-06-10
Scaling solutions for the effective action in dilaton quantum gravity are investigated within the functional renormalization group approach. We find numerical solutions that connect ultraviolet and infrared fixed points as the ratio between scalar field and renormalization scale k is varied. In the Einstein frame the quantum effective action corresponding to the scaling solutions becomes independent of k. The field equations derived from this effective action can be used directly for cosmology. Scale symmetry is spontaneously broken by a non-vanishing cosmological value of the scalar field. For the cosmology corresponding to our scaling solutions, inflation arises naturally. The effective cosmological constant becomes dynamical and vanishes asymptotically as time goes to infinity.
Rational approximations to solutions of linear differential equations.
Chudnovsky, D V; Chudnovsky, G V
1983-08-01
Rational approximations of Padé and Padé type to solutions of differential equations are considered. One of the main results is a theorem stating that a simultaneous approximation to arbitrary solutions of linear differential equations over C(x) cannot be "better" than trivial ones implied by the Dirichlet box principle. This constitutes, in particular, the solution in the linear case of Kolchin's problem that the "Roth's theorem" holds for arbitrary solutions of algebraic differential equations. Complete effective proofs for several valuations are presented based on the Wronskian methods and graded subrings of Picard-Vessiot extensions.
Subroutine for series solutions of linear differential equations
International Nuclear Information System (INIS)
Tasso, H.; Steuerwald, J.
1976-02-01
A subroutine for Taylor series solutions of systems of ordinary linear differential equations is descriebed. It uses the old idea of Lie series but allows simple implementation and is time-saving for symbolic manipulations. (orig.) [de
Oscillatory behaviour of solutions of linear neutral differential ...
African Journals Online (AJOL)
The paper considers the contribution of space-time noise to the oscillatory behaviour of solutions of a linear neutral stochastic delay differential equation. It was established that under certain conditions on the time lags and their speed of adjustments, the presence of noise generates oscillation in the solution of the equation ...
Exponential estimates for solutions of half-linear differential equations
Czech Academy of Sciences Publication Activity Database
Řehák, Pavel
2015-01-01
Roč. 147, č. 1 (2015), s. 158-171 ISSN 0236-5294 Institutional support: RVO:67985840 Keywords : half-linear differential equation * decreasing solution * increasing solution * asymptotic behavior Subject RIV: BA - General Mathematics Impact factor: 0.469, year: 2015 http://link.springer.com/article/10.1007%2Fs10474-015-0522-9
Oscillatory solutions of the Cauchy problem for linear differential equations
Directory of Open Access Journals (Sweden)
Gro Hovhannisyan
2015-06-01
Full Text Available We consider the Cauchy problem for second and third order linear differential equations with constant complex coefficients. We describe necessary and sufficient conditions on the data for the existence of oscillatory solutions. It is known that in the case of real coefficients the oscillatory behavior of solutions does not depend on initial values, but we show that this is no longer true in the complex case: hence in practice it is possible to control oscillatory behavior by varying the initial conditions. Our Proofs are based on asymptotic analysis of the zeros of solutions, represented as linear combinations of exponential functions.
Analytical exact solution of the non-linear Schroedinger equation
International Nuclear Information System (INIS)
Martins, Alisson Xavier; Rocha Filho, Tarcisio Marciano da
2011-01-01
Full text: In this work we present how to classify and obtain analytical solutions of the Schroedinger equation with a generic non-linearity in 1+1 dimensions. Our approach is based on the determination of Lie symmetry transformation mapping solutions into solutions, and non-classical symmetry transformations, mapping a given solution into itself. From these symmetries it is then possible to reduce the equation to a system of ordinary differential equations which can then be solved using standard methods. The generic non-linearity is handled by considering it as an additional unknown in the determining equations for the symmetry transformations. This results in an over-determined system of non-linear partial differential equations. Its solution can then be determined in some cases by reducing it to the so called involutive (triangular) form, and then solved. This reduction is very tedious and can only performed using a computer algebra system. Once the determining system is solved, we obtain the explicit form for the non-linearity admitting a Lie or non-classical symmetry. The analytical solutions are then derived by solving the reduced ordinary differential equations. The non-linear determining system for the non-classical symmetry transformations and Lie symmetry generators are obtaining using the computer algebra package SADE (symmetry analysis of differential equations), developed at our group. (author)
Numerical Solution of Heun Equation Via Linear Stochastic Differential Equation
Directory of Open Access Journals (Sweden)
Hamidreza Rezazadeh
2014-05-01
Full Text Available In this paper, we intend to solve special kind of ordinary differential equations which is called Heun equations, by converting to a corresponding stochastic differential equation(S.D.E.. So, we construct a stochastic linear equation system from this equation which its solution is based on computing fundamental matrix of this system and then, this S.D.E. is solved by numerically methods. Moreover, its asymptotic stability and statistical concepts like expectation and variance of solutions are discussed. Finally, the attained solutions of these S.D.E.s compared with exact solution of corresponding differential equations.
Iterative solution of linear equations in ODE codes. [Krylov subspaces
Energy Technology Data Exchange (ETDEWEB)
Gear, C. W.; Saad, Y.
1981-01-01
Each integration step of a stiff equation involves the solution of a nonlinear equation, usually by a quasi-Newton method that leads to a set of linear problems. Iterative methods for these linear equations are studied. Of particular interest are methods that do not require an explicit Jacobian, but can work directly with differences of function values using J congruent to f(x + delta) - f(x). Some numerical experiments using a modification of LSODE are reported. 1 figure, 2 tables.
Exact solution of some linear matrix equations using algebraic methods
Djaferis, T. E.; Mitter, S. K.
1977-01-01
A study is done of solution methods for Linear Matrix Equations including Lyapunov's equation, using methods of modern algebra. The emphasis is on the use of finite algebraic procedures which are easily implemented on a digital computer and which lead to an explicit solution to the problem. The action f sub BA is introduced a Basic Lemma is proven. The equation PA + BP = -C as well as the Lyapunov equation are analyzed. Algorithms are given for the solution of the Lyapunov and comment is given on its arithmetic complexity. The equation P - A'PA = Q is studied and numerical examples are given.
Numerical solution of non-linear diffusion problems
International Nuclear Information System (INIS)
Carmen, A. del; Ferreri, J.C.
1998-01-01
This paper presents a method for the numerical solution of non-linear diffusion problems using finite-differences in moving grids. Due to the presence of steep fronts in the solution domain and to the presence of advective terms originating in the grid movement, an implicit TVD scheme, first order in time and second order in space has been developed. Some algebraic details of the derivation are given. Results are shown for the pure advection of a scalar as a test case and an example dealing with the slow spreading of viscous fluids over plane surfaces. The agreement between numerical and analytical solutions is excellent. (author). 8 refs., 3 figs
Asymptotic formulae for solutions of half-linear differential equations
Czech Academy of Sciences Publication Activity Database
Řehák, Pavel
2017-01-01
Roč. 292, January (2017), s. 165-177 ISSN 0096-3003 Institutional support: RVO:67985840 Keywords : half-linear differential equation * nonoscillatory solution * regular variation Subject RIV: BA - General Mathematics OBOR OECD: Applied mathematics Impact factor: 1.738, year: 2016 http://www.sciencedirect.com/science/article/pii/S0096300316304581
On nonnegative solutions of second order linear functional differential equations
Czech Academy of Sciences Publication Activity Database
Lomtatidze, Alexander; Vodstrčil, Petr
2004-01-01
Roč. 32, č. 1 (2004), s. 59-88 ISSN 1512-0015 Institutional research plan: CEZ:AV0Z1019905 Keywords : second order linear functional differential equations * nonnegative solution * two-point boundary value problem Subject RIV: BA - General Mathematics
Radial solutions to semilinear elliptic equations via linearized operators
Directory of Open Access Journals (Sweden)
Phuong Le
2017-04-01
Full Text Available Let $u$ be a classical solution of semilinear elliptic equations in a ball or an annulus in $\\mathbb{R}^N$ with zero Dirichlet boundary condition where the nonlinearity has a convex first derivative. In this note, we prove that if the $N$-th eigenvalue of the linearized operator at $u$ is positive, then $u$ must be radially symmetric.
Minimal solution of linear formed fuzzy matrix equations
Directory of Open Access Journals (Sweden)
Maryam Mosleh
2012-10-01
Full Text Available In this paper according to the structured element method, the $mimes n$ inconsistent fuzzy matrix equation $Ailde{X}=ilde{B},$ which are linear formed by fuzzy structured element, is investigated. The necessary and sufficient condition for the existence of a fuzzy solution is also discussed. some examples are presented to illustrate the proposed method.
Focal points and principal solutions of linear Hamiltonian systems revisited
Šepitka, Peter; Šimon Hilscher, Roman
2018-05-01
In this paper we present a novel view on the principal (and antiprincipal) solutions of linear Hamiltonian systems, as well as on the focal points of their conjoined bases. We present a new and unified theory of principal (and antiprincipal) solutions at a finite point and at infinity, and apply it to obtain new representation of the multiplicities of right and left proper focal points of conjoined bases. We show that these multiplicities can be characterized by the abnormality of the system in a neighborhood of the given point and by the rank of the associated T-matrix from the theory of principal (and antiprincipal) solutions. We also derive some additional important results concerning the representation of T-matrices and associated normalized conjoined bases. The results in this paper are new even for completely controllable linear Hamiltonian systems. We also discuss other potential applications of our main results, in particular in the singular Sturmian theory.
Periodic solutions of asymptotically linear Hamiltonian systems without twist conditions
Energy Technology Data Exchange (ETDEWEB)
Cheng Rong [Coll. of Mathematics and Physics, Nanjing Univ. of Information Science and Tech., Nanjing (China); Dept. of Mathematics, Southeast Univ., Nanjing (China); Zhang Dongfeng [Dept. of Mathematics, Southeast Univ., Nanjing (China)
2010-05-15
In dynamical system theory, especially in many fields of applications from mechanics, Hamiltonian systems play an important role, since many related equations in mechanics can be written in an Hamiltonian form. In this paper, we study the existence of periodic solutions for a class of Hamiltonian systems. By applying the Galerkin approximation method together with a result of critical point theory, we establish the existence of periodic solutions of asymptotically linear Hamiltonian systems without twist conditions. Twist conditions play crucial roles in the study of periodic solutions for asymptotically linear Hamiltonian systems. The lack of twist conditions brings some difficulty to the study. To the authors' knowledge, very little is known about the case, where twist conditions do not hold. (orig.)
Scaling solutions for dilaton quantum gravity
Directory of Open Access Journals (Sweden)
T. Henz
2017-06-01
The field equations derived from this effective action can be used directly for cosmology. Scale symmetry is spontaneously broken by a non-vanishing cosmological value of the scalar field. For the cosmology corresponding to our scaling solutions, inflation arises naturally. The effective cosmological constant becomes dynamical and vanishes asymptotically as time goes to infinity.
Supervised scale-regularized linear convolutionary filters
DEFF Research Database (Denmark)
Loog, Marco; Lauze, Francois Bernard
2017-01-01
also be solved relatively efficient. All in all, the idea is to properly control the scale of a trained filter, which we solve by introducing a specific regularization term into the overall objective function. We demonstrate, on an artificial filter learning problem, the capabil- ities of our basic...
Solution of generalized shifted linear systems with complex symmetric matrices
International Nuclear Information System (INIS)
Sogabe, Tomohiro; Hoshi, Takeo; Zhang, Shao-Liang; Fujiwara, Takeo
2012-01-01
We develop the shifted COCG method [R. Takayama, T. Hoshi, T. Sogabe, S.-L. Zhang, T. Fujiwara, Linear algebraic calculation of Green’s function for large-scale electronic structure theory, Phys. Rev. B 73 (165108) (2006) 1–9] and the shifted WQMR method [T. Sogabe, T. Hoshi, S.-L. Zhang, T. Fujiwara, On a weighted quasi-residual minimization strategy of the QMR method for solving complex symmetric shifted linear systems, Electron. Trans. Numer. Anal. 31 (2008) 126–140] for solving generalized shifted linear systems with complex symmetric matrices that arise from the electronic structure theory. The complex symmetric Lanczos process with a suitable bilinear form plays an important role in the development of the methods. The numerical examples indicate that the methods are highly attractive when the inner linear systems can efficiently be solved.
A Solution to the Fundamental Linear Fractional Order Differential Equation
Hartley, Tom T.; Lorenzo, Carl F.
1998-01-01
This paper provides a solution to the fundamental linear fractional order differential equation, namely, (sub c)d(sup q, sub t) + ax(t) = bu(t). The impulse response solution is shown to be a series, named the F-function, which generalizes the normal exponential function. The F-function provides the basis for a qth order "fractional pole". Complex plane behavior is elucidated and a simple example, the inductor terminated semi- infinite lossy line, is used to demonstrate the theory.
Solution methods for large systems of linear equations in BACCHUS
International Nuclear Information System (INIS)
Homann, C.; Dorr, B.
1993-05-01
The computer programme BACCHUS is used to describe steady state and transient thermal-hydraulic behaviour of a coolant in a fuel element with intact geometry in a fast breeder reactor. In such computer programmes generally large systems of linear equations with sparse matrices of coefficients, resulting from discretization of coolant conservation equations, must be solved thousands of times giving rise to large demands of main storage and CPU time. Direct and iterative solution methods of the systems of linear equations, available in BACCHUS, are described, giving theoretical details and experience with their use in the programme. Besides use of a method of lines, a Runge-Kutta-method, for solution of the partial differential equation is outlined. (orig.) [de
Asymptotic solutions and spectral theory of linear wave equations
International Nuclear Information System (INIS)
Adam, J.A.
1982-01-01
This review contains two closely related strands. Firstly the asymptotic solution of systems of linear partial differential equations is discussed, with particular reference to Lighthill's method for obtaining the asymptotic functional form of the solution of a scalar wave equation with constant coefficients. Many of the applications of this technique are highlighted. Secondly, the methods and applications of the theory of the reduced (one-dimensional) wave equation - particularly spectral theory - are discussed. While the breadth of application and power of the techniques is emphasised throughout, the opportunity is taken to present to a wider readership, developments of the methods which have occured in some aspects of astrophysical (particularly solar) and geophysical fluid dynamics. It is believed that the topics contained herein may be of relevance to the applied mathematician or theoretical physicist interest in problems of linear wave propagation in these areas. (orig./HSI)
A general method for enclosing solutions of interval linear equations
Czech Academy of Sciences Publication Activity Database
Rohn, Jiří
2012-01-01
Roč. 6, č. 4 (2012), s. 709-717 ISSN 1862-4472 R&D Projects: GA ČR GA201/09/1957; GA ČR GC201/08/J020 Institutional research plan: CEZ:AV0Z10300504 Keywords : interval linear equations * solution set * enclosure * absolute value inequality Subject RIV: BA - General Mathematics Impact factor: 1.654, year: 2012
Energy conserving, linear scaling Born-Oppenheimer molecular dynamics.
Cawkwell, M J; Niklasson, Anders M N
2012-10-07
Born-Oppenheimer molecular dynamics simulations with long-term conservation of the total energy and a computational cost that scales linearly with system size have been obtained simultaneously. Linear scaling with a low pre-factor is achieved using density matrix purification with sparse matrix algebra and a numerical threshold on matrix elements. The extended Lagrangian Born-Oppenheimer molecular dynamics formalism [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] yields microcanonical trajectories with the approximate forces obtained from the linear scaling method that exhibit no systematic drift over hundreds of picoseconds and which are indistinguishable from trajectories computed using exact forces.
Large-scale linear programs in planning and prediction.
2017-06-01
Large-scale linear programs are at the core of many traffic-related optimization problems in both planning and prediction. Moreover, many of these involve significant uncertainty, and hence are modeled using either chance constraints, or robust optim...
Linear and quadratic exponential modulation of the solutions of the paraxial wave equation
International Nuclear Information System (INIS)
Torre, A
2010-01-01
A review of well-known transformations, which allow us to pass from one solution of the paraxial wave equation (PWE) (in one transverse space variable) to another, is presented. Such transformations are framed within the unifying context of the Lie algebra formalism, being related indeed to symmetries of the PWE. Due to the closure property of the symmetry group of the PWE we are led to consider as not trivial only the linear and the quadratic exponential modulation (accordingly, accompanied by a suitable shift or scaling of the space variables) of the original solutions of the PWE, which are seen to be just conveyed by a linear and a quadratic exponential modulation of the relevant 'source' functions. We will see that recently introduced solutions of the 1D PWE in both rectangular and polar coordinates can be deduced from already known solutions through the resulting symmetry transformation related schemes
International Nuclear Information System (INIS)
Datta, Dhurjati Prasad; Bose, Manoj Kumar
2004-01-01
We present a new one parameter family of second derivative discontinuous solutions to the simplest scale invariant linear ordinary differential equation. We also point out how the construction could be extended to generate families of higher derivative discontinuous solutions as well. The discontinuity can occur only for a subset of even order derivatives, viz., 2nd, 4th, 8th, 16th,.... The solutions are shown to break the discrete parity (reflection) symmetry of the underlying equation. These results are expected to gain significance in the contemporary search of a new dynamical principle for understanding complex phenomena in nature
Solution of the fully fuzzy linear systems using iterative techniques
International Nuclear Information System (INIS)
Dehghan, Mehdi; Hashemi, Behnam; Ghatee, Mehdi
2007-01-01
This paper mainly intends to discuss the iterative solution of fully fuzzy linear systems which we call FFLS. We employ Dubois and Prade's approximate arithmetic operators on LR fuzzy numbers for finding a positive fuzzy vector x-tilde which satisfies A-tildex-tilde=b, where A-tilde and b-tilde are a fuzzy matrix and a fuzzy vector, respectively. Please note that the positivity assumption is not so restrictive in applied problems. We transform FFLS and propose iterative techniques such as Richardson, Jacobi, Jacobi overrelaxation (JOR), Gauss-Seidel, successive overrelaxation (SOR), accelerated overrelaxation (AOR), symmetric and unsymmetric SOR (SSOR and USSOR) and extrapolated modified Aitken (EMA) for solving FFLS. In addition, the methods of Newton, quasi-Newton and conjugate gradient are proposed from nonlinear programming for solving a fully fuzzy linear system. Various numerical examples are also given to show the efficiency of the proposed schemes
Linear perturbations of a self-similar solution of hydrodynamics with non-linear heat conduction
International Nuclear Information System (INIS)
Dubois-Boudesocque, Carine
2000-01-01
The stability of an ablative flow, where a shock wave is located upstream a thermal front, is of importance in inertial confinement fusion. The present model considers an exact self-similar solution to the hydrodynamic equations with non-linear heat conduction for a semi-infinite slab. For lack of an analytical solution, a high resolution numerical procedure is devised, which couples a finite difference method with a relaxation algorithm using a two-domain pseudo-spectral method. Stability of this solution is studied by introducing linear perturbation method within a Lagrangian-Eulerian framework. The initial and boundary value problem is solved by a splitting of the equations between a hyperbolic system and a parabolic equation. The boundary conditions of the hyperbolic system are treated, in the case of spectral methods, according to Thompson's approach. The parabolic equation is solved by an influence matrix method. These numerical procedures have been tested versus exact solutions. Considering a boundary heat flux perturbation, the space-time evolution of density, velocity and temperature are shown. (author) [fr
Oscillation of solutions of some higher order linear differential equations
Directory of Open Access Journals (Sweden)
Hong-Yan Xu
2009-11-01
Full Text Available In this paper, we deal with the order of growth and the hyper order of solutions of higher order linear differential equations $$f^{(k}+B_{k-1}f^{(k-1}+\\cdots+B_1f'+B_0f=F$$ where $B_j(z (j=0,1,\\ldots,k-1$ and $F$ are entire functions or polynomials. Some results are obtained which improve and extend previous results given by Z.-X. Chen, J. Wang, T.-B. Cao and C.-H. Li.
Description of All Solutions of a Linear Complementarity Problem
Czech Academy of Sciences Publication Activity Database
Rohn, Jiří
2009-01-01
Roč. 18, - (2009), s. 246-252 E-ISSN 1081-3810 R&D Projects: GA ČR GA201/09/1957; GA ČR GC201/08/J020 Institutional research plan: CEZ:AV0Z10300504 Keywords : linear complementarity problem * Moore-Penrose inverse * verified solution * absolute value equation Subject RIV: BA - General Mathematics Impact factor: 0.892, year: 2009 http://www.math.technion.ac.il/iic/ ela / ela -articles/articles/vol18_pp246-252.pdf
Penalized Estimation in Large-Scale Generalized Linear Array Models
DEFF Research Database (Denmark)
Lund, Adam; Vincent, Martin; Hansen, Niels Richard
2017-01-01
Large-scale generalized linear array models (GLAMs) can be challenging to fit. Computation and storage of its tensor product design matrix can be impossible due to time and memory constraints, and previously considered design matrix free algorithms do not scale well with the dimension...
2013-01-01
This book consists of twenty seven chapters, which can be divided into three large categories: articles with the focus on the mathematical treatment of non-linear problems, including the methodologies, algorithms and properties of analytical and numerical solutions to particular non-linear problems; theoretical and computational studies dedicated to the physics and chemistry of non-linear micro-and nano-scale systems, including molecular clusters, nano-particles and nano-composites; and, papers focused on non-linear processes in medico-biological systems, including mathematical models of ferments, amino acids, blood fluids and polynucleic chains.
An algorithm for the solution of dynamic linear programs
Psiaki, Mark L.
1989-01-01
The algorithm's objective is to efficiently solve Dynamic Linear Programs (DLP) by taking advantage of their special staircase structure. This algorithm constitutes a stepping stone to an improved algorithm for solving Dynamic Quadratic Programs, which, in turn, would make the nonlinear programming method of Successive Quadratic Programs more practical for solving trajectory optimization problems. The ultimate goal is to being trajectory optimization solution speeds into the realm of real-time control. The algorithm exploits the staircase nature of the large constraint matrix of the equality-constrained DLPs encountered when solving inequality-constrained DLPs by an active set approach. A numerically-stable, staircase QL factorization of the staircase constraint matrix is carried out starting from its last rows and columns. The resulting recursion is like the time-varying Riccati equation from multi-stage LQR theory. The resulting factorization increases the efficiency of all of the typical LP solution operations over that of a dense matrix LP code. At the same time numerical stability is ensured. The algorithm also takes advantage of dynamic programming ideas about the cost-to-go by relaxing active pseudo constraints in a backwards sweeping process. This further decreases the cost per update of the LP rank-1 updating procedure, although it may result in more changes of the active set that if pseudo constraints were relaxed in a non-stagewise fashion. The usual stability of closed-loop Linear/Quadratic optimally-controlled systems, if it carries over to strictly linear cost functions, implies that the saving due to reduced factor update effort may outweigh the cost of an increased number of updates. An aerospace example is presented in which a ground-to-ground rocket's distance is maximized. This example demonstrates the applicability of this class of algorithms to aerospace guidance. It also sheds light on the efficacy of the proposed pseudo constraint relaxation
Small-scale engagement model with arrivals: analytical solutions
International Nuclear Information System (INIS)
Engi, D.
1977-04-01
This report presents an analytical model of small-scale battles. The specific impetus for this effort was provided by a need to characterize hypothetical battles between guards at a nuclear facility and their potential adversaries. The solution procedure can be used to find measures of a number of critical parameters; for example, the win probabilities and the expected duration of the battle. Numerical solutions are obtainable if the total number of individual combatants on the opposing sides is less than 10. For smaller force size battles, with one or two combatants on each side, symbolic solutions can be found. The symbolic solutions express the output parameters abstractly in terms of symbolic representations of the input parameters while the numerical solutions are expressed as numerical values. The input parameters are derived from the probability distributions of the attrition and arrival processes. The solution procedure reduces to solving sets of linear equations that have been constructed from the input parameters. The approach presented in this report does not address the problems associated with measuring the inputs. Rather, this report attempts to establish a relatively simple structure within which small-scale battles can be studied
Approximate solution to neutron transport equation with linear anisotropic scattering
International Nuclear Information System (INIS)
Coppa, G.; Ravetto, P.; Sumini, M.
1983-01-01
A method to obtain an approximate solution to the transport equation, when both sources and collisions show a linearly anisotropic behavior, is outlined and the possible implications for numerical calculations in applied neutronics as well as shielding evaluations are investigated. The form of the differential system of equations taken by the method is quite handy and looks simpler and more manageable than any other today available technique. To go deeper into the efficiency of the method, some typical calculations concerning critical dimension of multiplying systems are then performed and the results are compared with the ones coming from the classical Ssub(N) approximations. The outcome of such calculations leads us to think of interesting developments of the method which could be quite useful in alternative to other today widespread approximate procedures, for any geometry, but especially for curved ones. (author)
Linear homotopy solution of nonlinear systems of equations in geodesy
Paláncz, Béla; Awange, Joseph L.; Zaletnyik, Piroska; Lewis, Robert H.
2010-01-01
A fundamental task in geodesy is solving systems of equations. Many geodetic problems are represented as systems of multivariate polynomials. A common problem in solving such systems is improper initial starting values for iterative methods, leading to convergence to solutions with no physical meaning, or to convergence that requires global methods. Though symbolic methods such as Groebner bases or resultants have been shown to be very efficient, i.e., providing solutions for determined systems such as 3-point problem of 3D affine transformation, the symbolic algebra can be very time consuming, even with special Computer Algebra Systems (CAS). This study proposes the Linear Homotopy method that can be implemented easily in high-level computer languages like C++ and Fortran that are faster than CAS by at least two orders of magnitude. Using Mathematica, the power of Homotopy is demonstrated in solving three nonlinear geodetic problems: resection, GPS positioning, and affine transformation. The method enlarging the domain of convergence is found to be efficient, less sensitive to rounding of numbers, and has lower complexity compared to other local methods like Newton-Raphson.
A convex optimization approach for solving large scale linear systems
Directory of Open Access Journals (Sweden)
Debora Cores
2017-01-01
Full Text Available The well-known Conjugate Gradient (CG method minimizes a strictly convex quadratic function for solving large-scale linear system of equations when the coefficient matrix is symmetric and positive definite. In this work we present and analyze a non-quadratic convex function for solving any large-scale linear system of equations regardless of the characteristics of the coefficient matrix. For finding the global minimizers, of this new convex function, any low-cost iterative optimization technique could be applied. In particular, we propose to use the low-cost globally convergent Spectral Projected Gradient (SPG method, which allow us to extend this optimization approach for solving consistent square and rectangular linear system, as well as linear feasibility problem, with and without convex constraints and with and without preconditioning strategies. Our numerical results indicate that the new scheme outperforms state-of-the-art iterative techniques for solving linear systems when the symmetric part of the coefficient matrix is indefinite, and also for solving linear feasibility problems.
Common Nearly Best Linear Estimates of Location and Scale ...
African Journals Online (AJOL)
Common nearly best linear estimates of location and scale parameters of normal and logistic distributions, which are based on complete samples, are considered. Here, the population from which the samples are drawn is either normal or logistic population or a fusion of both distributions and the estimates are computed ...
Mallet, D. G.; McCue, S. W.
2009-01-01
The solution of linear ordinary differential equations (ODEs) is commonly taught in first-year undergraduate mathematics classrooms, but the understanding of the concept of a solution is not always grasped by students until much later. Recognizing what it is to be a solution of a linear ODE and how to postulate such solutions, without resorting to…
Turbulence Spreading into Linearly Stable Zone and Transport Scaling
International Nuclear Information System (INIS)
Hahm, T.S.; Diamond, P.H.; Lin, Z.; Itoh, K.; Itoh, S.-I.
2003-01-01
We study the simplest problem of turbulence spreading corresponding to the spatio-temporal propagation of a patch of turbulence from a region where it is locally excited to a region of weaker excitation, or even local damping. A single model equation for the local turbulence intensity I(x, t) includes the effects of local linear growth and damping, spatially local nonlinear coupling to dissipation and spatial scattering of turbulence energy induced by nonlinear coupling. In the absence of dissipation, the front propagation into the linearly stable zone occurs with the property of rapid progression at small t, followed by slower subdiffusive progression at late times. The turbulence radial spreading into the linearly stable zone reduces the turbulent intensity in the linearly unstable zone, and introduces an additional dependence on the rho* is always equal to rho i/a to the turbulent intensity and the transport scaling. These are in broad, semi-quantitative agreements with a number of global gyrokinetic simulation results with zonal flows and without zonal flows. The front propagation stops when the radial flux of fluctuation energy from the linearly unstable region is balanced by local dissipation in the linearly stable region
General solutions of second-order linear difference equations of Euler type
Directory of Open Access Journals (Sweden)
Akane Hongyo
2017-01-01
Full Text Available The purpose of this paper is to give general solutions of linear difference equations which are related to the Euler-Cauchy differential equation \\(y^{\\prime\\prime}+(\\lambda/t^2y=0\\ or more general linear differential equations. We also show that the asymptotic behavior of solutions of the linear difference equations are similar to solutions of the linear differential equations.
Linear regression crash prediction models : issues and proposed solutions.
2010-05-01
The paper develops a linear regression model approach that can be applied to : crash data to predict vehicle crashes. The proposed approach involves novice data aggregation : to satisfy linear regression assumptions; namely error structure normality ...
Polarization properties of linearly polarized parabolic scaling Bessel beams
Energy Technology Data Exchange (ETDEWEB)
Guo, Mengwen; Zhao, Daomu, E-mail: zhaodaomu@yahoo.com
2016-10-07
The intensity profiles for the dominant polarization, cross polarization, and longitudinal components of modified parabolic scaling Bessel beams with linear polarization are investigated theoretically. The transverse intensity distributions of the three electric components are intimately connected to the topological charge. In particular, the intensity patterns of the cross polarization and longitudinal components near the apodization plane reflect the sign of the topological charge. - Highlights: • We investigated the polarization properties of modified parabolic scaling Bessel beams with linear polarization. • We studied the evolution of transverse intensity profiles for the three components of these beams. • The intensity patterns of the cross polarization and longitudinal components can reflect the sign of the topological charge.
Novel algorithm of large-scale simultaneous linear equations
International Nuclear Information System (INIS)
Fujiwara, T; Hoshi, T; Yamamoto, S; Sogabe, T; Zhang, S-L
2010-01-01
We review our recently developed methods of solving large-scale simultaneous linear equations and applications to electronic structure calculations both in one-electron theory and many-electron theory. This is the shifted COCG (conjugate orthogonal conjugate gradient) method based on the Krylov subspace, and the most important issue for applications is the shift equation and the seed switching method, which greatly reduce the computational cost. The applications to nano-scale Si crystals and the double orbital extended Hubbard model are presented.
Graph-based linear scaling electronic structure theory
Energy Technology Data Exchange (ETDEWEB)
Niklasson, Anders M. N., E-mail: amn@lanl.gov; Negre, Christian F. A.; Cawkwell, Marc J.; Swart, Pieter J.; Germann, Timothy C.; Bock, Nicolas [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Mniszewski, Susan M.; Mohd-Yusof, Jamal; Wall, Michael E.; Djidjev, Hristo [Computer, Computational, and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Rubensson, Emanuel H. [Division of Scientific Computing, Department of Information Technology, Uppsala University, Box 337, SE-751 05 Uppsala (Sweden)
2016-06-21
We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.
Localized solutions of non-linear Klein--Gordon equations
International Nuclear Information System (INIS)
Werle, J.
1977-05-01
Nondissipative, stationary solutions for a class of nonlinear Klein-Gordon equations for a scalar field were found explicitly. Since the field is different from zero only inside a sphere of definite radius, the solutions are called quantum droplets
Three-scale expansion of the solution of MHD and Reynolds equations for tokamak
International Nuclear Information System (INIS)
Maslov, V.P.; Omel'yanov, G.A.
1994-01-01
An asymptotic solution of the magnetohydrodynamic equations is constructed. The three scales asymptotic solution describes the non-linear evolution of small, rapidly varying perturbations of equilibrium. It is shown, that an anisotropic coherent structure appears in the linear nonstability situation, and the structures evolution directs to energy interaction between high-frequency and low-frequency waves. The closed system of MHD Reynolds equations for anisotropic structure is derived
Fundamental solution of the problem of linear programming and method of its determination
Petrunin, S. V.
1978-01-01
The idea of a fundamental solution to a problem in linear programming is introduced. A method of determining the fundamental solution and of applying this method to the solution of a problem in linear programming is proposed. Numerical examples are cited.
Linear Polarization Properties of Parsec-Scale AGN Jets
Directory of Open Access Journals (Sweden)
Alexander B. Pushkarev
2017-12-01
Full Text Available We used 15 GHz multi-epoch Very Long Baseline Array (VLBA polarization sensitive observations of 484 sources within a time interval 1996–2016 from the MOJAVE program, and also from the NRAO data archive. We have analyzed the linear polarization characteristics of the compact core features and regions downstream, and their changes along and across the parsec-scale active galactic nuclei (AGN jets. We detected a significant increase of fractional polarization with distance from the radio core along the jet as well as towards the jet edges. Compared to quasars, BL Lacs have a higher degree of polarization and exhibit more stable electric vector position angles (EVPAs in their core features and a better alignment of the EVPAs with the local jet direction. The latter is accompanied by a higher degree of linear polarization, suggesting that compact bright jet features might be strong transverse shocks, which enhance magnetic field regularity by compression.
A note on the time decay of solutions for the linearized Wigner-Poisson system
Gamba, Irene; Gualdani, Maria; Sparber, Christof
2009-01-01
We consider the one-dimensional Wigner-Poisson system of plasma physics, linearized around a (spatially homogeneous) Lorentzian distribution and prove that the solution of the corresponding linearized problem decays to zero in time. We also give
Numerical solution of two-dimensional non-linear partial differential ...
African Journals Online (AJOL)
linear partial differential equations using a hybrid method. The solution technique involves discritizing the non-linear system of partial differential equations (PDEs) to obtain a corresponding nonlinear system of algebraic difference equations to be ...
Design techniques for large scale linear measurement systems
International Nuclear Information System (INIS)
Candy, J.V.
1979-03-01
Techniques to design measurement schemes for systems modeled by large scale linear time invariant systems, i.e., physical systems modeled by a large number (> 5) of ordinary differential equations, are described. The techniques are based on transforming the physical system model to a coordinate system facilitating the design and then transforming back to the original coordinates. An example of a three-stage, four-species, extraction column used in the reprocessing of spent nuclear fuel elements is presented. The basic ideas are briefly discussed in the case of noisy measurements. An example using a plutonium nitrate storage vessel (reprocessing) with measurement uncertainty is also presented
Reconnection Scaling Experiment (RSX): Magnetic Reconnection in Linear Geometry
Intrator, T.; Sovinec, C.; Begay, D.; Wurden, G.; Furno, I.; Werley, C.; Fisher, M.; Vermare, L.; Fienup, W.
2001-10-01
The linear Reconnection Scaling Experiment (RSX) at LANL is a new experiment that can create MHD relevant plasmas to look at the physics of magnetic reconnection. This experiment can scale many relevant parameters because the guns that generate the plasma and current channels do not depend on equilibrium or force balance for startup. We describe the experiment and initial electrostatic and magnetic probe data. Two parallel current channels sweep down a long plasma column and probe data accumulated over many shots gives 3D movies of magnetic reconnection. Our first data tries to define an operating regime free from kink instabilities that might otherwise confuse the data and shot repeatability. We compare this with MHD 2 fluid NIMROD simulations of the single current channel kink stability boundary for a variety of experimental conditions.
Unbounded solutions of quasi-linear difference equations
Czech Academy of Sciences Publication Activity Database
Cecchi, M.; Došlá, Zuzana; Marini, M.
2003-01-01
Roč. 45, 10-11 (2003), s. 1113-1123 ISSN 0898-1221 Institutional research plan: CEZ:AV0Z1019905 Keywords : nonlinear difference equation * possitive increasing solution * strongly increasing solution Subject RIV: BA - General Mathematics Impact factor: 0.498, year: 2003
Non linear photons: a non singular cosmological solution
International Nuclear Information System (INIS)
Alves, G.A.
1986-01-01
The validity of equivalence principle as principle of minimum coupling between field interactions, is discussed. The non minimum coupling between vector field and gravitational field, and some consequences of this coupling are analysed. Starting from spherical symmetry metric, the coupled field equations, obtaining exact solutions and interpreting these solutions, are solved. (M.C.K.) [pt
International Nuclear Information System (INIS)
Alvarez-Estrada, R.F.
1979-01-01
A comprehensive review of the inverse scattering solution of certain non-linear evolution equations of physical interest in one space dimension is presented. We explain in some detail the interrelated techniques which allow to linearize exactly the following equations: (1) the Korteweg and de Vries equation; (2) the non-linear Schrodinger equation; (3) the modified Korteweg and de Vries equation; (4) the Sine-Gordon equation. We concentrate in discussing the pairs of linear operators which accomplish such an exact linearization and the solution of the associated initial value problem. The application of the method to other non-linear evolution equations is reviewed very briefly
Some problems on non-linear semigroups and the blow-up of integral solutions
International Nuclear Information System (INIS)
Pavel, N.H.
1983-07-01
After some introductory remarks, this highly mathematical document considers a unifying approach in the theory of non-linear semigroups. Then a brief survey is given on blow-up of mild solutions from the semilinear case. Finally, the global behavior of solutions to non-linear evolution equations is addressed; it is found that classical results on the behavior of the maximal solution u as t up-arrow tsub(max) hold also for integral solutions
General guidelines solution for linear programming with fuzzy coefficients
Directory of Open Access Journals (Sweden)
Sergio Gerardo de los Cobos Silva
2013-08-01
Full Text Available This work introduce to the Possibilistic Programming and the Fuzzy Programming as paradigms that allow to resolve problems of linear programming when the coefficients of the model or the restrictions on the same are presented as fuzzy numbers, rather than exact numbers (crisp. This work presents some examples based on [1].
Offset linear scaling for H-mode confinement
International Nuclear Information System (INIS)
Miura, Yukitoshi; Tamai, Hiroshi; Suzuki, Norio; Mori, Masahiro; Matsuda, Toshiaki; Maeda, Hikosuke; Takizuka, Tomonori; Itoh, Sanae; Itoh, Kimitaka.
1992-01-01
An offset linear scaling for the H-mode confinement time is examined based on single parameter scans on the JFT-2M experiment. Regression study is done for various devices with open divertor configuration such as JET, DIII-D, JFT-2M. The scaling law of the thermal energy is given in the MKSA unit as W th =0.0046R 1.9 I P 1.1 B T 0.91 √A+2.9x10 -8 I P 1.0 R 0.87 P√AP, where R is the major radius, I P is the plasma current, B T is the toroidal magnetic field, A is the average mass number of plasma and neutral beam particles, and P is the heating power. This fitting has a similar root mean square error (RMSE) compared to the power law scaling. The result is also compared with the H-mode in other configurations. The W th of closed divertor H-mode on ASDEX shows a little better values than that of open divertor H-mode. (author)
Linear-scaling quantum mechanical methods for excited states.
Yam, ChiYung; Zhang, Qing; Wang, Fan; Chen, GuanHua
2012-05-21
The poor scaling of many existing quantum mechanical methods with respect to the system size hinders their applications to large systems. In this tutorial review, we focus on latest research on linear-scaling or O(N) quantum mechanical methods for excited states. Based on the locality of quantum mechanical systems, O(N) quantum mechanical methods for excited states are comprised of two categories, the time-domain and frequency-domain methods. The former solves the dynamics of the electronic systems in real time while the latter involves direct evaluation of electronic response in the frequency-domain. The localized density matrix (LDM) method is the first and most mature linear-scaling quantum mechanical method for excited states. It has been implemented in time- and frequency-domains. The O(N) time-domain methods also include the approach that solves the time-dependent Kohn-Sham (TDKS) equation using the non-orthogonal localized molecular orbitals (NOLMOs). Besides the frequency-domain LDM method, other O(N) frequency-domain methods have been proposed and implemented at the first-principles level. Except one-dimensional or quasi-one-dimensional systems, the O(N) frequency-domain methods are often not applicable to resonant responses because of the convergence problem. For linear response, the most efficient O(N) first-principles method is found to be the LDM method with Chebyshev expansion for time integration. For off-resonant response (including nonlinear properties) at a specific frequency, the frequency-domain methods with iterative solvers are quite efficient and thus practical. For nonlinear response, both on-resonance and off-resonance, the time-domain methods can be used, however, as the time-domain first-principles methods are quite expensive, time-domain O(N) semi-empirical methods are often the practical choice. Compared to the O(N) frequency-domain methods, the O(N) time-domain methods for excited states are much more mature and numerically stable, and
POSITIVE SOLUTIONS TO SEMI-LINEAR SECOND-ORDER ORDINARY DIFFERENTIAL EQUATIONS IN BANACH SPACE
Institute of Scientific and Technical Information of China (English)
无
2008-01-01
In this paper,we study the existence of positive periodic solution to some second- order semi-linear differential equation in Banach space.By the fixed point index theory, we prove that the semi-linear differential equation has two positive periodic solutions.
No-signaling quantum key distribution: solution by linear programming
Hwang, Won-Young; Bae, Joonwoo; Killoran, Nathan
2015-02-01
We outline a straightforward approach for obtaining a secret key rate using only no-signaling constraints and linear programming. Assuming an individual attack, we consider all possible joint probabilities. Initially, we study only the case where Eve has binary outcomes, and we impose constraints due to the no-signaling principle and given measurement outcomes. Within the remaining space of joint probabilities, by using linear programming, we get bound on the probability of Eve correctly guessing Bob's bit. We then make use of an inequality that relates this guessing probability to the mutual information between Bob and a more general Eve, who is not binary-restricted. Putting our computed bound together with the Csiszár-Körner formula, we obtain a positive key generation rate. The optimal value of this rate agrees with known results, but was calculated in a more straightforward way, offering the potential of generalization to different scenarios.
Recent development of linear scaling quantum theories in GAMESS
Energy Technology Data Exchange (ETDEWEB)
Choi, Cheol Ho [Kyungpook National Univ., Daegu (Korea, Republic of)
2003-06-01
Linear scaling quantum theories are reviewed especially focusing on the method adopted in GAMESS. The three key translation equations of the fast multipole method (FMM) are deduced from the general polypolar expansions given earlier by Steinborn and Rudenberg. Simplifications are introduced for the rotation-based FMM that lead to a very compact FMM formalism. The OPS (optimum parameter searching) procedure, a stable and efficient way of obtaining the optimum set of FMM parameters, is established with complete control over the tolerable error {epsilon}. In addition, a new parallel FMM algorithm requiring virtually no inter-node communication, is suggested which is suitable for the parallel construction of Fock matrices in electronic structure calculations.
Solution of a System of Linear Equations with Fuzzy Numbers
Czech Academy of Sciences Publication Activity Database
Horčík, Rostislav
2008-01-01
Roč. 159, č. 14 (2008), s. 1788-1810 ISSN 0165-0114 R&D Projects: GA AV ČR KJB100300502 Institutional research plan: CEZ:AV0Z10300504 Keywords : fuzzy number * fuzzy interval * interval analysis * fuzzy arithmetic * fuzzy class theory * united solution set Subject RIV: BA - General Mathematics Impact factor: 1.833, year: 2008
Scaling laws for e+/e- linear colliders
International Nuclear Information System (INIS)
Delahaye, J.P.; Guignard, G.; Raubenheimer, T.; Wilson, I.
1999-01-01
Design studies of a future TeV e + e - Linear Collider (TLC) are presently being made by five major laboratories within the framework of a world-wide collaboration. A figure of merit is defined which enables an objective comparison of these different designs. This figure of merit is shown to depend only on a small number of parameters. General scaling laws for the main beam parameters and linac parameters are derived and prove to be very effective when used as guidelines to optimize the linear collider design. By adopting appropriate parameters for beam stability, the figure of merit becomes nearly independent of accelerating gradient and RF frequency of the accelerating structures. In spite of the strong dependence of the wake fields with frequency, the single-bunch emittance blow-up during acceleration along the linac is also shown to be independent of the RF frequency when using equivalent trajectory correction schemes. In this situation, beam acceleration using high-frequency structures becomes very advantageous because it enables high accelerating fields to be obtained, which reduces the overall length and consequently the total cost of the linac. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)
Parameter Scaling in Non-Linear Microwave Tomography
DEFF Research Database (Denmark)
Jensen, Peter Damsgaard; Rubæk, Tonny; Talcoth, Oskar
2012-01-01
Non-linear microwave tomographic imaging of the breast is a challenging computational problem. The breast is heterogeneous and contains several high-contrast and lossy regions, resulting in large differences in the measured signal levels. This implies that special care must be taken when the imag......Non-linear microwave tomographic imaging of the breast is a challenging computational problem. The breast is heterogeneous and contains several high-contrast and lossy regions, resulting in large differences in the measured signal levels. This implies that special care must be taken when...... the imaging problem is formulated. Under such conditions, microwave imaging systems will most often be considerably more sensitive to changes in the electromagnetic properties in certain regions of the breast. The result is that the parameters might not be reconstructed correctly in the less sensitive regions...... introduced as a measure of the sensitivity. The scaling of the parameters is shown to improve performance of the microwave imaging system when applied to reconstruction of images from 2-D simulated data and measurement data....
Johnson, Thomas
2018-01-01
In a recent seminal paper \\cite{D--H--R} of Dafermos, Holzegel and Rodnianski the linear stability of the Schwarzschild family of black hole solutions to the Einstein vacuum equations was established by imposing a double null gauge. In this paper we shall prove that the Schwarzschild family is linearly stable as solutions to the Einstein vacuum equations by imposing instead a generalised wave gauge: all sufficiently regular solutions to the system of equations that result from linearising the...
Linear facility location in three dimensions - Models and solution methods
DEFF Research Database (Denmark)
Brimberg, Jack; Juel, Henrik; Schöbel, Anita
2002-01-01
We consider the problem of locating a line or a line segment in three-dimensional space, such that the sum of distances from the facility represented by the line (segment) to a given set of points is minimized. An example is planning the drilling of a mine shaft, with access to ore deposits through...... horizontal tunnels connecting the deposits and the shaft. Various models of the problem are developed and analyzed, and efficient solution methods are given....
Tisdell, Christopher C.
2017-01-01
For over 50 years, the learning of teaching of "a priori" bounds on solutions to linear differential equations has involved a Euclidean approach to measuring the size of a solution. While the Euclidean approach to "a priori" bounds on solutions is somewhat manageable in the learning and teaching of the proofs involving…
Large-time asymptotic behaviour of solutions of non-linear Sobolev-type equations
International Nuclear Information System (INIS)
Kaikina, Elena I; Naumkin, Pavel I; Shishmarev, Il'ya A
2009-01-01
The large-time asymptotic behaviour of solutions of the Cauchy problem is investigated for a non-linear Sobolev-type equation with dissipation. For small initial data the approach taken is based on a detailed analysis of the Green's function of the linear problem and the use of the contraction mapping method. The case of large initial data is also closely considered. In the supercritical case the asymptotic formulae are quasi-linear. The asymptotic behaviour of solutions of a non-linear Sobolev-type equation with a critical non-linearity of the non-convective kind differs by a logarithmic correction term from the behaviour of solutions of the corresponding linear equation. For a critical convective non-linearity, as well as for a subcritical non-convective non-linearity it is proved that the leading term of the asymptotic expression for large times is a self-similar solution. For Sobolev equations with convective non-linearity the asymptotic behaviour of solutions in the subcritical case is the product of a rarefaction wave and a shock wave. Bibliography: 84 titles.
DEFF Research Database (Denmark)
Ahmadi, Mohamadreza; Mojallali, Hamed; Wisniewski, Rafal
2012-01-01
This paper addresses the robust stability and control problem of uncertain piecewise linear switched systems where, instead of the conventional Carathe ́odory solutions, we allow for Filippov solutions. In other words, in contrast to the previous studies, solutions with infinite switching in fini...... algorithm is proposed to surmount the aforementioned matrix inequality conditions....... time along the facets and on faces of arbitrary dimensions are also taken into account. Firstly, based on earlier results, the stability problem of piecewise linear systems with Filippov solutions is translated into a number of linear matrix inequality feasibility tests. Subsequently, a set of matrix...... inequalities are brought forward, which determines the asymptotic stability of the Filippov solutions of a given uncertain piecewise linear system. Afterwards, bilinear matrix inequality conditions for synthesizing a robust controller with a guaranteed H∞ per- formance are formulated. Finally, a V-K iteration...
Small-scale quantum information processing with linear optics
International Nuclear Information System (INIS)
Bergou, J.A.; Steinberg, A.M.; Mohseni, M.
2005-01-01
Full text: Photons are the ideal systems for carrying quantum information. Although performing large-scale quantum computation on optical systems is extremely demanding, non scalable linear-optics quantum information processing may prove essential as part of quantum communication networks. In addition efficient (scalable) linear-optical quantum computation proposal relies on the same optical elements. Here, by constructing multirail optical networks, we experimentally study two central problems in quantum information science, namely optimal discrimination between nonorthogonal quantum states, and controlling decoherence in quantum systems. Quantum mechanics forbids deterministic discrimination between nonorthogonal states. This is one of the central features of quantum cryptography, which leads to secure communications. Quantum state discrimination is an important primitive in quantum information processing, since it determines the limitations of a potential eavesdropper, and it has applications in quantum cloning and entanglement concentration. In this work, we experimentally implement generalized measurements in an optical system and demonstrate the first optimal unambiguous discrimination between three non-orthogonal states with a success rate of 55 %, to be compared with the 25 % maximum achievable using projective measurements. Furthermore, we present the first realization of unambiguous discrimination between a pure state and a nonorthogonal mixed state. In a separate experiment, we demonstrate how decoherence-free subspaces (DFSs) may be incorporated into a prototype optical quantum algorithm. Specifically, we present an optical realization of two-qubit Deutsch-Jozsa algorithm in presence of random noise. By introduction of localized turbulent airflow we produce a collective optical dephasing, leading to large error rates and demonstrate that using DFS encoding, the error rate in the presence of decoherence can be reduced from 35 % to essentially its pre
Kim, Jeong-Man; Koo, Min-Mo; Jeong, Jae-Hoon; Hong, Keyyong; Cho, Il-Hyoung; Choi, Jang-Young
2017-05-01
This paper reports the design and analysis of a tubular permanent magnet linear generator (TPMLG) for a small-scale wave-energy converter. The analytical field computation is performed by applying a magnetic vector potential and a 2-D analytical model to determine design parameters. Based on analytical solutions, parametric analysis is performed to meet the design specifications of a wave-energy converter (WEC). Then, 2-D FEA is employed to validate the analytical method. Finally, the experimental result confirms the predictions of the analytical and finite element analysis (FEA) methods under regular and irregular wave conditions.
Directory of Open Access Journals (Sweden)
Mervan Pašić
2016-10-01
Full Text Available We study non-monotone positive solutions of the second-order linear differential equations: $(p(tx'' + q(t x = e(t$, with positive $p(t$ and $q(t$. For the first time, some criteria as well as the existence and nonexistence of non-monotone positive solutions are proved in the framework of some properties of solutions $\\theta (t$ of the corresponding integrable linear equation: $(p(t\\theta''=e(t$. The main results are illustrated by many examples dealing with equations which allow exact non-monotone positive solutions not necessarily periodic. Finally, we pose some open questions.
On the completeness of the set of Bethe-Hulthen solutions of the linear Heisenberg system
International Nuclear Information System (INIS)
Caspers, W J; Labuz, M; Wal, A
2006-01-01
In this work we formulate the standard form of the solutions of the Heisenberg chain with periodic boundary conditions and show that these solutions can be transformed into the well-known Bethe-Hulthen solutions. The standard form is found by solving the secular problem, separated according to the irreducible representations of the translation group. The relevant parameters exp(ik j ) of the Bethe-Hulthen solutions are found from a set of linear equations with coefficients derived from the standard solutions. This correspondence between standard and Bethe-Hulthen solutions realizes the completeness of the Bethe-Hulthen method
DEFF Research Database (Denmark)
Mejlbro, Leif
1997-01-01
An alternative formula for the solution of linear differential equations of order n is suggested. When applicable, the suggested method requires fewer and simpler computations than the well-known method using Wronskians.......An alternative formula for the solution of linear differential equations of order n is suggested. When applicable, the suggested method requires fewer and simpler computations than the well-known method using Wronskians....
Linear and Nonlinear Optical Properties of Micrometer-Scale Gold Nanoplates
International Nuclear Information System (INIS)
Liu Xiao-Lan; Peng Xiao-Niu; Yang Zhong-Jian; Li Min; Zhou Li
2011-01-01
Micrometer-scale gold nanoplates have been synthesized in high yield through a polyol process. The morphology, crystal structure and linear optical extinction of the gold nanoplates have been characterized. These gold nanoplates are single-crystalline with triangular, truncated triangular and hexagonal shapes, exhibiting strong surface plasmon resonance (SPR) extinction in the visible and near-infrared (NIR) region. The linear optical properties of gold nanoplates are also investigated by theoretical calculations. We further investigate the nonlinear optical properties of the gold nanoplates in solution by Z-scan technique. The nonlinear absorption (NLA) coefficient and nonlinear refraction (NLR) index are measured to be 1.18×10 2 cm/GW and −1.04×10 −3 cm 2 /GW, respectively. (condensed matter: electronic structure, electrical, magnetic, and optical properties)
Directory of Open Access Journals (Sweden)
Hongchun Sun
2012-01-01
Full Text Available For the extended mixed linear complementarity problem (EML CP, we first present the characterization of the solution set for the EMLCP. Based on this, its global error bound is also established under milder conditions. The results obtained in this paper can be taken as an extension for the classical linear complementarity problems.
A note on the time decay of solutions for the linearized Wigner-Poisson system
Gamba, Irene
2009-01-01
We consider the one-dimensional Wigner-Poisson system of plasma physics, linearized around a (spatially homogeneous) Lorentzian distribution and prove that the solution of the corresponding linearized problem decays to zero in time. We also give an explicit algebraic decay rate.
International Nuclear Information System (INIS)
Man, Yiu-Kwong
2010-01-01
In this communication, we present a method for computing the Liouvillian solution of second-order linear differential equations via algebraic invariant curves. The main idea is to integrate Kovacic's results on second-order linear differential equations with the Prelle-Singer method for computing first integrals of differential equations. Some examples on using this approach are provided. (fast track communication)
Solution of systems of linear algebraic equations by the method of summation of divergent series
International Nuclear Information System (INIS)
Kirichenko, G.A.; Korovin, Ya.S.; Khisamutdinov, M.V.; Shmojlov, V.I.
2015-01-01
A method for solving systems of linear algebraic equations has been proposed on the basis on the summation of the corresponding continued fractions. The proposed algorithm for solving systems of linear algebraic equations is classified as direct algorithms providing an exact solution in a finite number of operations. Examples of solving systems of linear algebraic equations have been presented and the effectiveness of the algorithm has been estimated [ru
Grey scale, the 'crispening effect', and perceptual linearization
Belaïd, N.; Martens, J.B.
1998-01-01
One way of optimizing a display is to maximize the number of distinguishable grey levels, which in turn is equivalent to perceptually linearizing the display. Perceptual linearization implies that equal steps in grey value evoke equal steps in brightness sensation. The key to perceptual
Oscillation and nonoscillation results for solutions of half-linear equations with deviated argument
Czech Academy of Sciences Publication Activity Database
Drábek, P.; Kufner, Alois; Kuliev, K.
2017-01-01
Roč. 447, č. 1 (2017), s. 371-382 ISSN 0022-247X Institutional support: RVO:67985840 Keywords : half-linear equation * oscillatory solution * nonoscillatory solution Subject RIV: BA - General Mathematics OBOR OECD: Pure mathematics Impact factor: 1.064, year: 2016 http://www.sciencedirect.com/science/article/pii/S0022247X16306059
Directory of Open Access Journals (Sweden)
Yoshitsugu Takei
2015-01-01
Full Text Available Using two concrete examples, we discuss the multisummability of WKB solutions of singularly perturbed linear ordinary differential equations. Integral representations of solutions and a criterion for the multisummability based on the Cauchy-Heine transform play an important role in the proof.
Some examples of non-linear systems and characteristics of their solutions
CSIR Research Space (South Africa)
Greben, JM
2006-07-01
Full Text Available . In contrast to certain other applications in complexity theory, these non-linear solutions are characterized by great stability. To go beyond the dominant non-perturbative solution one has to consider the source term as well. The parameter freedom...
Solutions of the linearized Bach-Einstein equation in the static spherically symmetric case
International Nuclear Information System (INIS)
Schmidt, H.J.
1985-01-01
The Bach-Einstein equation linearized around Minkowski space-time is completely solved. The set of solutions depends on three parameters; a two-parameter subset of it becomes asymptotically flat. In that region the gravitational potential is of the type phi = -m/r + epsilon exp (-r/l). Because of the different asymptotic behaviour of both terms, it became necessary to linearize also around the Schwarzschild solution phi = -m/r. The linearized equation resulting in this case is discussed using qualitative methods. The result is that for m = 2l phi = -m/r + epsilon r -2 exp (-r/l) u, where u is some bounded function; m is arbitrary and epsilon again small. Further, the relation between the solution of the linearized and the full equation is discussed. (author)
On the summability of divergent power series solutions for certain first-order linear PDEs
Directory of Open Access Journals (Sweden)
Masaki Hibino
2015-01-01
Full Text Available This article is concerned with the study of the Borel summability of divergent power series solutions for certain singular first-order linear partial differential equations of nilpotent type. Our main purpose is to obtain conditions which coefficients of equations should satisfy in order to ensure the Borel summability of divergent solutions. We will see that there is a close affinity between the Borel summability of divergent solutions and global analytic continuation properties for coefficients of equations.
International Nuclear Information System (INIS)
Dubrovsky, V. G.; Topovsky, A. V.
2013-01-01
New exact solutions, nonstationary and stationary, of Veselov-Novikov (VN) equation in the forms of simple nonlinear and linear superpositions of arbitrary number N of exact special solutions u (n) , n= 1, …, N are constructed via Zakharov and Manakov ∂-dressing method. Simple nonlinear superpositions are represented up to a constant by the sums of solutions u (n) and calculated by ∂-dressing on nonzero energy level of the first auxiliary linear problem, i.e., 2D stationary Schrödinger equation. It is remarkable that in the zero energy limit simple nonlinear superpositions convert to linear ones in the form of the sums of special solutions u (n) . It is shown that the sums u=u (k 1 ) +...+u (k m ) , 1 ⩽k 1 2 m ⩽N of arbitrary subsets of these solutions are also exact solutions of VN equation. The presented exact solutions include as superpositions of special line solitons and also superpositions of plane wave type singular periodic solutions. By construction these exact solutions represent also new exact transparent potentials of 2D stationary Schrödinger equation and can serve as model potentials for electrons in planar structures of modern electronics.
Energy Technology Data Exchange (ETDEWEB)
Dubrovsky, V. G.; Topovsky, A. V. [Novosibirsk State Technical University, Karl Marx prosp. 20, Novosibirsk 630092 (Russian Federation)
2013-03-15
New exact solutions, nonstationary and stationary, of Veselov-Novikov (VN) equation in the forms of simple nonlinear and linear superpositions of arbitrary number N of exact special solutions u{sup (n)}, n= 1, Horizontal-Ellipsis , N are constructed via Zakharov and Manakov {partial_derivative}-dressing method. Simple nonlinear superpositions are represented up to a constant by the sums of solutions u{sup (n)} and calculated by {partial_derivative}-dressing on nonzero energy level of the first auxiliary linear problem, i.e., 2D stationary Schroedinger equation. It is remarkable that in the zero energy limit simple nonlinear superpositions convert to linear ones in the form of the sums of special solutions u{sup (n)}. It is shown that the sums u=u{sup (k{sub 1})}+...+u{sup (k{sub m})}, 1 Less-Than-Or-Slanted-Equal-To k{sub 1} < k{sub 2} < Horizontal-Ellipsis < k{sub m} Less-Than-Or-Slanted-Equal-To N of arbitrary subsets of these solutions are also exact solutions of VN equation. The presented exact solutions include as superpositions of special line solitons and also superpositions of plane wave type singular periodic solutions. By construction these exact solutions represent also new exact transparent potentials of 2D stationary Schroedinger equation and can serve as model potentials for electrons in planar structures of modern electronics.
International Nuclear Information System (INIS)
Paris, R.B.; Wood, A.D.
1984-11-01
The asymptotic expansions of solutions of a class of linear ordinary differential equations of arbitrary order n, containing a factor zsup(m) multiplying the lower order derivatives, are investigated for large values of z in the complex plane. Four classes of solutions are considered which exhibit the following behaviour as /z/ → infinity in certain sectors: (i) solutions whose behaviour is either exponentially large or algebraic (involving p ( < n) algebraic expansions), (ii) solutions which are exponentially small (iii) solutions with a single algebraic expansion and (iv) solutions which are even and odd functions of z whenever n+m is even. The asymptotic expansions of these solutions in a full neigbourhood of the point at infinity are obtained by means of the theory of the solutions in the case m=O developed in a previous paper
Reliable and efficient solution of genome-scale models of Metabolism and macromolecular Expression
DEFF Research Database (Denmark)
Ma, Ding; Yang, Laurence; Fleming, Ronan M. T.
2017-01-01
orders of magnitude. Data values also have greatly varying magnitudes. Standard double-precision solvers may return inaccurate solutions or report that no solution exists. Exact simplex solvers based on rational arithmetic require a near-optimal warm start to be practical on large problems (current ME......Constraint-Based Reconstruction and Analysis (COBRA) is currently the only methodology that permits integrated modeling of Metabolism and macromolecular Expression (ME) at genome-scale. Linear optimization computes steady-state flux solutions to ME models, but flux values are spread over many...... models have 70,000 constraints and variables and will grow larger). We have developed a quadrupleprecision version of our linear and nonlinear optimizer MINOS, and a solution procedure (DQQ) involving Double and Quad MINOS that achieves reliability and efficiency for ME models and other challenging...
Energy Technology Data Exchange (ETDEWEB)
Carey, G.F.; Young, D.M.
1993-12-31
The program outlined here is directed to research on methods, algorithms, and software for distributed parallel supercomputers. Of particular interest are finite element methods and finite difference methods together with sparse iterative solution schemes for scientific and engineering computations of very large-scale systems. Both linear and nonlinear problems will be investigated. In the nonlinear case, applications with bifurcation to multiple solutions will be considered using continuation strategies. The parallelizable numerical methods of particular interest are a family of partitioning schemes embracing domain decomposition, element-by-element strategies, and multi-level techniques. The methods will be further developed incorporating parallel iterative solution algorithms with associated preconditioners in parallel computer software. The schemes will be implemented on distributed memory parallel architectures such as the CRAY MPP, Intel Paragon, the NCUBE3, and the Connection Machine. We will also consider other new architectures such as the Kendall-Square (KSQ) and proposed machines such as the TERA. The applications will focus on large-scale three-dimensional nonlinear flow and reservoir problems with strong convective transport contributions. These are legitimate grand challenge class computational fluid dynamics (CFD) problems of significant practical interest to DOE. The methods developed and algorithms will, however, be of wider interest.
Jamison, J. W.
1994-01-01
CFORM was developed by the Kennedy Space Center Robotics Lab to assist in linear control system design and analysis using closed form and transient response mechanisms. The program computes the closed form solution and transient response of a linear (constant coefficient) differential equation. CFORM allows a choice of three input functions: the Unit Step (a unit change in displacement); the Ramp function (step velocity); and the Parabolic function (step acceleration). It is only accurate in cases where the differential equation has distinct roots, and does not handle the case for roots at the origin (s=0). Initial conditions must be zero. Differential equations may be input to CFORM in two forms - polynomial and product of factors. In some linear control analyses, it may be more appropriate to use a related program, Linear Control System Design and Analysis (KSC-11376), which uses root locus and frequency response methods. CFORM was written in VAX FORTRAN for a VAX 11/780 under VAX VMS 4.7. It has a central memory requirement of 30K. CFORM was developed in 1987.
An investigation on the solutions for the linear inverse problem in gamma ray tomography
International Nuclear Information System (INIS)
Araujo, Bruna G.M.; Dantas, Carlos C.; Santos, Valdemir A. dos; Finkler, Christine L.L.; Oliveira, Eric F. de; Melo, Silvio B.; Santos, M. Graca dos
2009-01-01
This paper the results obtained in single beam gamma ray tomography are investigated according to direct problem formulation and the applied solution for the linear system of equations. By image reconstruction based algebraic computational algorithms are used. The sparse under and over-determined linear system of equations was analyzed. Build in functions of Matlab software were applied and optimal solutions were investigate. Experimentally a section of the tube is scanned from various positions and at different angles. The solution, to find the vector of coefficients μ, from the vector of measured p values through the W matrix inversion, constitutes an inverse problem. A industrial tomography process requires a numerical solution of the system of equations. The definition of inverse problem according to Hadmard's is considered and as well the requirement of a well posed problem to find stable solutions. The formulation of the basis function and the computational algorithm to structure the weight matrix W were analyzed. For W full rank matrix the obtained solution is unique as expected. Total Least Squares was implemented which theory and computation algorithm gives adequate treatment for the problems due to non-unique solutions of the system of equations. Stability of the solution was investigating by means of a regularization technique and the comparison shows that it improves the results. An optimal solution as a function of the image quality, computation time and minimum residuals were quantified. The corresponding reconstructed images are shown in 3D graphics in order to compare with the solution. (author)
Knotted solutions for linear and nonlinear theories: Electromagnetism and fluid dynamics
Directory of Open Access Journals (Sweden)
Daniel W.F. Alves
2017-10-01
Full Text Available We examine knotted solutions, the most simple of which is the “Hopfion”, from the point of view of relations between electromagnetism and ideal fluid dynamics. A map between fluid dynamics and electromagnetism works for initial conditions or for linear perturbations, allowing us to find new knotted fluid solutions. Knotted solutions are also found to be solutions of nonlinear generalizations of electromagnetism, and of quantum-corrected actions for electromagnetism coupled to other modes. For null configurations, electromagnetism can be described as a null pressureless fluid, for which we can find solutions from the knotted solutions of electromagnetism. We also map them to solutions of Euler's equations, obtained from a type of nonrelativistic reduction of the relativistic fluid equations.
Classical solutions of non-linear sigma-models and their quantum fluctuations
International Nuclear Information System (INIS)
Din, A.M.
1980-05-01
I study the properties of O(N) and CPsup(n-1) non-linear sigma-models in the two dimensional Euclidean space. All classical solutions of the equations of motion can be characterized and in the CPsup(n-1) model they can be expressed in a simple and explicit way in terms of holomorphic vectors. The topological winding number and the action of the general CPsup(n-1) solution can be evaluated and the latter turns out always to be a integer multiple of 2π. I further discuss the stability of the solutions and the problem of one-loop calculations of quantum fluctuations around classical solutions
Scaling linear colliders to 5 TeV and above
International Nuclear Information System (INIS)
Wilson, P.B.
1997-04-01
Detailed designs exist at present for linear colliders in the 0.5-1.0 TeV center-of-mass energy range. For linear colliders driven by discrete rf sources (klystrons), the rf operating frequencies range from 1.3 GHz to 14 GHz, and the unloaded accelerating gradients from 21 MV/m to 100 MV/m. Except for the collider design at 1.3 GHz (TESLA) which uses superconducting accelerating structures, the accelerating gradients vary roughly linearly with the rf frequency. This correlation between gradient and frequency follows from the necessity to keep the ac open-quotes wall plugclose quotes power within reasonable bounds. For linear colliders at energies of 5 TeV and above, even higher accelerating gradients and rf operating frequencies will be required if both the total machine length and ac power are to be kept within reasonable limits. An rf system for a 5 TeV collider operating at 34 GHz is outlined, and it is shown that there are reasonable candidates for microwave tube sources which, together with rf pulse compression, are capable of supplying the required rf power. Some possibilities for a 15 TeV collider at 91 GHz are briefly discussed
A solution approach for non-linear analysis of concrete members
International Nuclear Information System (INIS)
Hadi, N. M.; Das, S.
1999-01-01
Non-linear solution of reinforced concrete structural members, at and beyond its maximum strength poses complex numerical problems. This is due to the fact that concrete exhibits strain softening behaviour once it reaches its maximum strength. This paper introduces an improved non-linear solution capable to overcome the numerical problems efficiently. The paper also presents a new concept of modeling discrete cracks in concrete members by using gap elements. Gap elements are placed in between two adjacent concrete elements in tensile zone. The magnitude of elongation of gap elements, which represents the width of the crack in concrete, increases edith the increase of tensile stress in those elements. As a result, transfer of local from one concrete element to adjacent elements reduces. Results of non-linear finite element analysis of three concrete beams using this new solution strategy are compared with those obtained by other researchers, and a good agreement is achieved. (authors). 13 refs. 9 figs.,
International Nuclear Information System (INIS)
Grigoriu, Mircea; Samorodnitsky, Gennady
2004-01-01
Two methods are considered for assessing the asymptotic stability of the trivial solution of linear stochastic differential equations driven by Poisson white noise, interpreted as the formal derivative of a compound Poisson process. The first method attempts to extend a result for diffusion processes satisfying linear stochastic differential equations to the case of linear equations with Poisson white noise. The developments for the method are based on Ito's formula for semimartingales and Lyapunov exponents. The second method is based on a geometric ergodic theorem for Markov chains providing a criterion for the asymptotic stability of the solution of linear stochastic differential equations with Poisson white noise. Two examples are presented to illustrate the use and evaluate the potential of the two methods. The examples demonstrate limitations of the first method and the generality of the second method
Numerical Methods for Solution of the Extended Linear Quadratic Control Problem
DEFF Research Database (Denmark)
Jørgensen, John Bagterp; Frison, Gianluca; Gade-Nielsen, Nicolai Fog
2012-01-01
In this paper we present the extended linear quadratic control problem, its efficient solution, and a discussion of how it arises in the numerical solution of nonlinear model predictive control problems. The extended linear quadratic control problem is the optimal control problem corresponding...... to the Karush-Kuhn-Tucker system that constitute the majority of computational work in constrained nonlinear and linear model predictive control problems solved by efficient MPC-tailored interior-point and active-set algorithms. We state various methods of solving the extended linear quadratic control problem...... and discuss instances in which it arises. The methods discussed in the paper have been implemented in efficient C code for both CPUs and GPUs for a number of test examples....
J.F. Sturm; J. Zhang (Shuzhong)
1996-01-01
textabstractIn this paper we introduce a primal-dual affine scaling method. The method uses a search-direction obtained by minimizing the duality gap over a linearly transformed conic section. This direction neither coincides with known primal-dual affine scaling directions (Jansen et al., 1993;
Scale solutions and coupling constant in electrodynamics of vector particles
International Nuclear Information System (INIS)
Arbuzov, B.A.; Boos, E.E.; Kurennoy, S.S.
1980-01-01
A new approach in nonrenormalizable gauge theories is studied, the electrodynamics of vector particles being taken as an example. One and two-loop approximations in Schwinger-Dyson set of equations are considered with account for conditions imposed by gauge invariance. It is shown, that solutions with scale asymptotics can occur in this case but only for a particular value of coupling constant. This value in solutions obtained is close to the value of the fine structure constant α=1/137
Preprocessing in Matlab Inconsistent Linear System for a Meaningful Least Squares Solution
Sen, Symal K.; Shaykhian, Gholam Ali
2011-01-01
Mathematical models of many physical/statistical problems are systems of linear equations Due to measurement and possible human errors/mistakes in modeling/data, as well as due to certain assumptions to reduce complexity, inconsistency (contradiction) is injected into the model, viz. the linear system. While any inconsistent system irrespective of the degree of inconsistency has always a least-squares solution, one needs to check whether an equation is too much inconsistent or, equivalently too much contradictory. Such an equation will affect/distort the least-squares solution to such an extent that renders it unacceptable/unfit to be used in a real-world application. We propose an algorithm which (i) prunes numerically redundant linear equations from the system as these do not add any new information to the model, (ii) detects contradictory linear equations along with their degree of contradiction (inconsistency index), (iii) removes those equations presumed to be too contradictory, and then (iv) obtain the . minimum norm least-squares solution of the acceptably inconsistent reduced linear system. The algorithm presented in Matlab reduces the computational and storage complexities and also improves the accuracy of the solution. It also provides the necessary warning about the existence of too much contradiction in the model. In addition, we suggest a thorough relook into the mathematical modeling to determine the reason why unacceptable contradiction has occurred thus prompting us to make necessary corrections/modifications to the models - both mathematical and, if necessary, physical.
Improved harmonic balance approach to periodic solutions of non-linear jerk equations
International Nuclear Information System (INIS)
Wu, B.S.; Lim, C.W.; Sun, W.P.
2006-01-01
An analytical approximate approach for determining periodic solutions of non-linear jerk equations involving third-order time-derivative is presented. This approach incorporates salient features of both Newton's method and the method of harmonic balance. By appropriately imposing the method of harmonic balance to the linearized equation, the approach requires only one or two iterations to predict very accurate analytical approximate solutions for a large range of initial velocity amplitude. One typical example is used to verify and illustrate the usefulness and effectiveness of the proposed approach
Zeb, Salman; Yousaf, Muhammad
2017-01-01
In this article, we present a QR updating procedure as a solution approach for linear least squares problem with equality constraints. We reduce the constrained problem to unconstrained linear least squares and partition it into a small subproblem. The QR factorization of the subproblem is calculated and then we apply updating techniques to its upper triangular factor R to obtain its solution. We carry out the error analysis of the proposed algorithm to show that it is backward stable. We also illustrate the implementation and accuracy of the proposed algorithm by providing some numerical experiments with particular emphasis on dense problems.
Evidence for a scaling solution in cosmic-string evolution
International Nuclear Information System (INIS)
Bennett, D.P.; Bouchet, F.R.
1988-01-01
We study, by means of numerical simulations, the most fundamental issue of cosmic-string evolution: the existence of a scaling solution. We find strong evidence that a scaling solution does indeed exist. This justifies the main assumption on which the cosmic-string theories of galaxy formation are based. Our main conclusion coincides with that of Albrecht and Turok in previous work, but our results are not consistent with theirs. In fact, our results indicate that the details of string evolution are very different from the standard dogma
Tisdell, Christopher C.
2017-11-01
For over 50 years, the learning of teaching of a priori bounds on solutions to linear differential equations has involved a Euclidean approach to measuring the size of a solution. While the Euclidean approach to a priori bounds on solutions is somewhat manageable in the learning and teaching of the proofs involving second-order, linear problems with constant co-efficients, we believe it is not pedagogically optimal. Moreover, the Euclidean method becomes pedagogically unwieldy in the proofs involving higher-order cases. The purpose of this work is to propose a simpler pedagogical approach to establish a priori bounds on solutions by considering a different way of measuring the size of a solution to linear problems, which we refer to as the Uber size. The Uber form enables a simplification of pedagogy from the literature and the ideas are accessible to learners who have an understanding of the Fundamental Theorem of Calculus and the exponential function, both usually seen in a first course in calculus. We believe that this work will be of mathematical and pedagogical interest to those who are learning and teaching in the area of differential equations or in any of the numerous disciplines where linear differential equations are used.
On the non-linear scale of cosmological perturbation theory
Blas, Diego; Konstandin, Thomas
2013-01-01
We discuss the convergence of cosmological perturbation theory. We prove that the polynomial enhancement of the non-linear corrections expected from the effects of soft modes is absent in equal-time correlators like the power or bispectrum. We first show this at leading order by resumming the most important corrections of soft modes to an arbitrary skeleton of hard fluctuations. We derive the same result in the eikonal approximation, which also allows us to show the absence of enhancement at any order. We complement the proof by an explicit calculation of the power spectrum at two-loop order, and by further numerical checks at higher orders. Using these insights, we argue that the modification of the power spectrum from soft modes corresponds at most to logarithmic corrections. Finally, we discuss the asymptotic behavior in the large and small momentum regimes and identify the expansion parameter pertinent to non-linear corrections.
On the non-linear scale of cosmological perturbation theory
International Nuclear Information System (INIS)
Blas, Diego; Garny, Mathias; Konstandin, Thomas
2013-04-01
We discuss the convergence of cosmological perturbation theory. We prove that the polynomial enhancement of the non-linear corrections expected from the effects of soft modes is absent in equal-time correlators like the power or bispectrum. We first show this at leading order by resumming the most important corrections of soft modes to an arbitrary skeleton of hard fluctuations. We derive the same result in the eikonal approximation, which also allows us to show the absence of enhancement at any order. We complement the proof by an explicit calculation of the power spectrum at two-loop order, and by further numerical checks at higher orders. Using these insights, we argue that the modification of the power spectrum from soft modes corresponds at most to logarithmic corrections. Finally, we discuss the asymptotic behavior in the large and small momentum regimes and identify the expansion parameter pertinent to non-linear corrections.
On the non-linear scale of cosmological perturbation theory
Energy Technology Data Exchange (ETDEWEB)
Blas, Diego [European Organization for Nuclear Research (CERN), Geneva (Switzerland); Garny, Mathias; Konstandin, Thomas [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
2013-04-15
We discuss the convergence of cosmological perturbation theory. We prove that the polynomial enhancement of the non-linear corrections expected from the effects of soft modes is absent in equal-time correlators like the power or bispectrum. We first show this at leading order by resumming the most important corrections of soft modes to an arbitrary skeleton of hard fluctuations. We derive the same result in the eikonal approximation, which also allows us to show the absence of enhancement at any order. We complement the proof by an explicit calculation of the power spectrum at two-loop order, and by further numerical checks at higher orders. Using these insights, we argue that the modification of the power spectrum from soft modes corresponds at most to logarithmic corrections. Finally, we discuss the asymptotic behavior in the large and small momentum regimes and identify the expansion parameter pertinent to non-linear corrections.
On Numerical Stability in Large Scale Linear Algebraic Computations
Czech Academy of Sciences Publication Activity Database
Strakoš, Zdeněk; Liesen, J.
2005-01-01
Roč. 85, č. 5 (2005), s. 307-325 ISSN 0044-2267 R&D Projects: GA AV ČR 1ET400300415 Institutional research plan: CEZ:AV0Z10300504 Keywords : linear algebraic systems * eigenvalue problems * convergence * numerical stability * backward error * accuracy * Lanczos method * conjugate gradient method * GMRES method Subject RIV: BA - General Mathematics Impact factor: 0.351, year: 2005
International Nuclear Information System (INIS)
Edery, D.
1983-11-01
The reduced system of the non linear resistive MHD equations is used in the 2-D one helicity approximation in the numerical computations of stationary tearing modes. The critical magnetic Raynolds number S (S=tausub(r)/tausub(H) where tausub(R) and tausub(H) are respectively the characteristic resistive and hydro magnetic times) and the corresponding linear solution are computed as a starting approximation for the full non linear equations. These equations are then treated numerically by an iterative procedure which is shown to be rapidly convergent. A numerical application is given in the last part of this paper
Analytical solution for a linearly graded-index-profile planar waveguide.
Touam, T; Yergeau, F
1993-01-20
An analytical solution is presented for the TE modes of a planar waveguide structure comprising a high-index guiding layer and a buried layer with a profile such that the square of the index varies linearly and matches the substrate and high-index guiding layer. The electric-field profiles and the dispersion relation are obtained and discussed, and a solution by the WKB method is compared.
Asymptotic behavior of solutions of linear multi-order fractional differential equation systems
Diethelm, Kai; Siegmund, Stefan; Tuan, H. T.
2017-01-01
In this paper, we investigate some aspects of the qualitative theory for multi-order fractional differential equation systems. First, we obtain a fundamental result on the existence and uniqueness for multi-order fractional differential equation systems. Next, a representation of solutions of homogeneous linear multi-order fractional differential equation systems in series form is provided. Finally, we give characteristics regarding the asymptotic behavior of solutions to some classes of line...
Fuzzy solution of the linear programming problem with interval coefficients in the constraints
Dorota Kuchta
2005-01-01
A fuzzy concept of solving the linear programming problem with interval coefficients is proposed. For each optimism level of the decision maker (where the optimism concerns the certainty that no errors have been committed in the estimation of the interval coefficients and the belief that optimistic realisations of the interval coefficients will occur) another interval solution of the problem will be generated and the decision maker will be able to choose the final solution having a complete v...
Computer programs for the solution of systems of linear algebraic equations
Sequi, W. T.
1973-01-01
FORTRAN subprograms for the solution of systems of linear algebraic equations are described, listed, and evaluated in this report. Procedures considered are direct solution, iteration, and matrix inversion. Both incore methods and those which utilize auxiliary data storage devices are considered. Some of the subroutines evaluated require the entire coefficient matrix to be in core, whereas others account for banding or sparceness of the system. General recommendations relative to equation solving are made, and on the basis of tests, specific subprograms are recommended.
Scale-dependent three-dimensional charged black holes in linear and non-linear electrodynamics
Energy Technology Data Exchange (ETDEWEB)
Rincon, Angel; Koch, Benjamin [Pontificia Universidad Catolica de Chile, Instituto de Fisica, Santiago (Chile); Contreras, Ernesto; Bargueno, Pedro; Hernandez-Arboleda, Alejandro [Universidad de los Andes, Departamento de Fisica, Bogota, Distrito Capital (Colombia); Panotopoulos, Grigorios [Universidade de Lisboa, CENTRA, Instituto Superior Tecnico, Lisboa (Portugal)
2017-07-15
In the present work we study the scale dependence at the level of the effective action of charged black holes in Einstein-Maxwell as well as in Einstein-power-Maxwell theories in (2 + 1)-dimensional spacetimes without a cosmological constant. We allow for scale dependence of the gravitational and electromagnetic couplings, and we solve the corresponding generalized field equations imposing the null energy condition. Certain properties, such as horizon structure and thermodynamics, are discussed in detail. (orig.)
Decentralised stabilising controllers for a class of large-scale linear ...
Indian Academy of Sciences (India)
subsystems resulting from a new aggregation-decomposition technique. The method has been illustrated through a numerical example of a large-scale linear system consisting of three subsystems each of the fourth order. Keywords. Decentralised stabilisation; large-scale linear systems; optimal feedback control; algebraic ...
Lovejoy, S.; del Rio Amador, L.; Hébert, R.
2015-03-01
At scales of ≈ 10 days (the lifetime of planetary scale structures), there is a drastic transition from high frequency weather to low frequency macroweather. This scale is close to the predictability limits of deterministic atmospheric models; so that in GCM macroweather forecasts, the weather is a high frequency noise. But neither the GCM noise nor the GCM climate is fully realistic. In this paper we show how simple stochastic models can be developped that use empirical data to force the statistics and climate to be realistic so that even a two parameter model can outperform GCM's for annual global temperature forecasts. The key is to exploit the scaling of the dynamics and the enormous stochastic memories that it implies. Since macroweather intermittency is low, we propose using the simplest model based on fractional Gaussian noise (fGn): the Scaling LInear Macroweather model (SLIM). SLIM is based on a stochastic ordinary differential equations, differing from usual linear stochastic models (such as the Linear Inverse Modelling, LIM) in that it is of fractional rather than integer order. Whereas LIM implicitly assumes there is no low frequency memory, SLIM has a huge memory that can be exploited. Although the basic mathematical forecast problem for fGn has been solved, we approach the problem in an original manner notably using the method of innovations to obtain simpler results on forecast skill and on the size of the effective system memory. A key to successful forecasts of natural macroweather variability is to first remove the low frequency anthropogenic component. A previous attempt to use fGn for forecasts had poor results because this was not done. We validate our theory using hindcasts of global and Northern Hemisphere temperatures at monthly and annual resolutions. Several nondimensional measures of forecast skill - with no adjustable parameters - show excellent agreement with hindcasts and these show some skill even at decadal scales. We also compare
Non-linear variability in geophysics scaling and fractals
Lovejoy, S
1991-01-01
consequences of broken symmetry -here parity-is studied. In this model, turbulence is dominated by a hierarchy of helical (corkscrew) structures. The authors stress the unique features of such pseudo-scalar cascades as well as the extreme nature of the resulting (intermittent) fluctuations. Intermittent turbulent cascades was also the theme of a paper by us in which we show that universality classes exist for continuous cascades (in which an infinite number of cascade steps occur over a finite range of scales). This result is the multiplicative analogue of the familiar central limit theorem for the addition of random variables. Finally, an interesting paper by Pasmanter investigates the scaling associated with anomolous diffusion in a chaotic tidal basin model involving a small number of degrees of freedom. Although the statistical literature is replete with techniques for dealing with those random processes characterized by both exponentially decaying (non-scaling) autocorrelations and exponentially decaying...
Heinkenschloss, Matthias
2005-01-01
We study a class of time-domain decomposition-based methods for the numerical solution of large-scale linear quadratic optimal control problems. Our methods are based on a multiple shooting reformulation of the linear quadratic optimal control problem as a discrete-time optimal control (DTOC) problem. The optimality conditions for this DTOC problem lead to a linear block tridiagonal system. The diagonal blocks are invertible and are related to the original linear quadratic optimal control problem restricted to smaller time-subintervals. This motivates the application of block Gauss-Seidel (GS)-type methods for the solution of the block tridiagonal systems. Numerical experiments show that the spectral radii of the block GS iteration matrices are larger than one for typical applications, but that the eigenvalues of the iteration matrices decay to zero fast. Hence, while the GS method is not expected to convergence for typical applications, it can be effective as a preconditioner for Krylov-subspace methods. This is confirmed by our numerical tests.A byproduct of this research is the insight that certain instantaneous control techniques can be viewed as the application of one step of the forward block GS method applied to the DTOC optimality system.
Scaling and predicting solute transport processes in streams
R. González-Pinzón; R. Haggerty; M. Dentz
2013-01-01
We investigated scaling of conservative solute transport using temporal moment analysis of 98 tracer experiments (384 breakthrough curves) conducted in 44 streams located on five continents. The experiments span 7 orders of magnitude in discharge (10-3 to 103 m3/s), span 5 orders of magnitude in...
Una Hakika: Scaling Digital Solutions for Conflict Management in ...
International Development Research Centre (IDRC) Digital Library (Canada)
Una Hakika: Scaling Digital Solutions for Conflict Management in Kenya and Burma ... local government officials, and funders involved in peacebuilding, security, and ... its 2017 call for proposals to establish Cyber Policy Centres in the Global South. ... partnering on a new initiative, aimed at reducing the emerging risk that.
The linearly scaling 3D fragment method for large scale electronic structure calculations
Energy Technology Data Exchange (ETDEWEB)
Zhao Zhengji [National Energy Research Scientific Computing Center (NERSC) (United States); Meza, Juan; Shan Hongzhang; Strohmaier, Erich; Bailey, David; Wang Linwang [Computational Research Division, Lawrence Berkeley National Laboratory (United States); Lee, Byounghak, E-mail: ZZhao@lbl.go [Physics Department, Texas State University (United States)
2009-07-01
The linearly scaling three-dimensional fragment (LS3DF) method is an O(N) ab initio electronic structure method for large-scale nano material simulations. It is a divide-and-conquer approach with a novel patching scheme that effectively cancels out the artificial boundary effects, which exist in all divide-and-conquer schemes. This method has made ab initio simulations of thousand-atom nanosystems feasible in a couple of hours, while retaining essentially the same accuracy as the direct calculation methods. The LS3DF method won the 2008 ACM Gordon Bell Prize for algorithm innovation. Our code has reached 442 Tflop/s running on 147,456 processors on the Cray XT5 (Jaguar) at OLCF, and has been run on 163,840 processors on the Blue Gene/P (Intrepid) at ALCF, and has been applied to a system containing 36,000 atoms. In this paper, we will present the recent parallel performance results of this code, and will apply the method to asymmetric CdSe/CdS core/shell nanorods, which have potential applications in electronic devices and solar cells.
Solutions of First-Order Volterra Type Linear Integrodifferential Equations by Collocation Method
Directory of Open Access Journals (Sweden)
Olumuyiwa A. Agbolade
2017-01-01
Full Text Available The numerical solutions of linear integrodifferential equations of Volterra type have been considered. Power series is used as the basis polynomial to approximate the solution of the problem. Furthermore, standard and Chebyshev-Gauss-Lobatto collocation points were, respectively, chosen to collocate the approximate solution. Numerical experiments are performed on some sample problems already solved by homotopy analysis method and finite difference methods. Comparison of the absolute error is obtained from the present method and those from aforementioned methods. It is also observed that the absolute errors obtained are very low establishing convergence and computational efficiency.
Fall with linear drag and Wien's displacement law: approximate solution and Lambert function
International Nuclear Information System (INIS)
Vial, Alexandre
2012-01-01
We present an approximate solution for the downward time of travel in the case of a mass falling with a linear drag force. We show how a quasi-analytical solution implying the Lambert function can be found. We also show that solving the previous problem is equivalent to the search for Wien's displacement law. These results can be of interest for undergraduate students, as they show that some transcendental equations found in physics may be solved without purely numerical methods. Moreover, as will be seen in the case of Wien's displacement law, solutions based on series expansion can be very accurate even with few terms. (paper)
International Nuclear Information System (INIS)
Li Tatsien
1994-01-01
By means of the concept of the weak linear degeneracy, one gets the global existence and the sharp estimate of the lifespan of C 1 solutions to the Cauchy problem for general first order quasilinear hyperbolic systems with small initial data with compact support. (author). 23 refs, 1 fig
Solutions of half-linear differential equations in the classes Gamma and Pi
Czech Academy of Sciences Publication Activity Database
Řehák, Pavel; Taddei, V.
2016-01-01
Roč. 29, 7-8 (2016), s. 683-714 ISSN 0893-4983 Institutional support: RVO:67985840 Keywords : half-linear differential equation * positive solution * asymptotic formula Subject RIV: BA - General Mathematics Impact factor: 0.565, year: 2016 http://projecteuclid.org/euclid.die/1462298681
Exact solutions of linearized Schwinger endash Dyson equation of fermion self-energy
International Nuclear Information System (INIS)
Zhou, B.
1997-01-01
The Schwinger endash Dyson equation of fermion self-energy in the linearization approximation is solved exactly in a theory with gauge and effective four-fermion interactions. Different expressions for the independent solutions, which, respectively, submit to irregular and regular ultraviolet boundary condition are derived and expounded. copyright 1997 American Institute of Physics
Bounded solutions of self-adjoint second order linear difference equations with periodic coeffients
Directory of Open Access Journals (Sweden)
Encinas A.M.
2018-02-01
Full Text Available In this work we obtain easy characterizations for the boundedness of the solutions of the discrete, self–adjoint, second order and linear unidimensional equations with periodic coefficients, including the analysis of the so-called discrete Mathieu equations as particular cases.
Direct interaction between linear electron transfer chains and solute transport systems in bacteria
Elferink, Marieke G.L.; Hellingwerf, Klaas J.; Belkum, Marco J. van; Poolman, Bert; Konings, Wil N.
1984-01-01
In studies on alanine and lactose transport in Rhodopseudomonas sphaeroides we have demonstrated that the rate of solute uptake in this phototrophic bacterium is regulated by the rate of light-induced cyclic electron transfer. In the present paper the interaction between linear electron transfer
Gasyna, Zbigniew L.
2008-01-01
Computational experiment is proposed in which a linear algebra method is applied to the solution of the Schrodinger equation for a diatomic oscillator. Calculations of the vibration-rotation spectrum for the HCl molecule are presented and the results show excellent agreement with experimental data. (Contains 1 table and 1 figure.)
On the solution of a class of fuzzy system of linear equations
Indian Academy of Sciences (India)
J. Mathematics and Comput. Sci. 1: 1–5. Salkuyeh D K 2011 On the solution of the fuzzy Sylvester matrix equation. Soft Computing 15: 953–961. Senthilkumar P and Rajendran G 2011 New approach to solve symmetric fully fuzzy linear systems. S¯adhan¯a 36: 933–940. Wang K and Zheng B 2007 Block iterative methods ...
Energy Technology Data Exchange (ETDEWEB)
Lorenzen, Konstantin; Mathias, Gerald; Tavan, Paul, E-mail: tavan@physik.uni-muenchen.de [Lehrstuhl für BioMolekulare Optik, Ludig–Maximilians Universität München, Oettingenstr. 67, 80538 München (Germany)
2015-11-14
Hamiltonian Dielectric Solvent (HADES) is a recent method [S. Bauer et al., J. Chem. Phys. 140, 104103 (2014)] which enables atomistic Hamiltonian molecular dynamics (MD) simulations of peptides and proteins in dielectric solvent continua. Such simulations become rapidly impractical for large proteins, because the computational effort of HADES scales quadratically with the number N of atoms. If one tries to achieve linear scaling by applying a fast multipole method (FMM) to the computation of the HADES electrostatics, the Hamiltonian character (conservation of total energy, linear, and angular momenta) may get lost. Here, we show that the Hamiltonian character of HADES can be almost completely preserved, if the structure-adapted fast multipole method (SAMM) as recently redesigned by Lorenzen et al. [J. Chem. Theory Comput. 10, 3244-3259 (2014)] is suitably extended and is chosen as the FMM module. By this extension, the HADES/SAMM forces become exact gradients of the HADES/SAMM energy. Their translational and rotational invariance then guarantees (within the limits of numerical accuracy) the exact conservation of the linear and angular momenta. Also, the total energy is essentially conserved—up to residual algorithmic noise, which is caused by the periodically repeated SAMM interaction list updates. These updates entail very small temporal discontinuities of the force description, because the employed SAMM approximations represent deliberately balanced compromises between accuracy and efficiency. The energy-gradient corrected version of SAMM can also be applied, of course, to MD simulations of all-atom solvent-solute systems enclosed by periodic boundary conditions. However, as we demonstrate in passing, this choice does not offer any serious advantages.
Non-linear scaling of a musculoskeletal model of the lower limb using statistical shape models.
Nolte, Daniel; Tsang, Chui Kit; Zhang, Kai Yu; Ding, Ziyun; Kedgley, Angela E; Bull, Anthony M J
2016-10-03
Accurate muscle geometry for musculoskeletal models is important to enable accurate subject-specific simulations. Commonly, linear scaling is used to obtain individualised muscle geometry. More advanced methods include non-linear scaling using segmented bone surfaces and manual or semi-automatic digitisation of muscle paths from medical images. In this study, a new scaling method combining non-linear scaling with reconstructions of bone surfaces using statistical shape modelling is presented. Statistical Shape Models (SSMs) of femur and tibia/fibula were used to reconstruct bone surfaces of nine subjects. Reference models were created by morphing manually digitised muscle paths to mean shapes of the SSMs using non-linear transformations and inter-subject variability was calculated. Subject-specific models of muscle attachment and via points were created from three reference models. The accuracy was evaluated by calculating the differences between the scaled and manually digitised models. The points defining the muscle paths showed large inter-subject variability at the thigh and shank - up to 26mm; this was found to limit the accuracy of all studied scaling methods. Errors for the subject-specific muscle point reconstructions of the thigh could be decreased by 9% to 20% by using the non-linear scaling compared to a typical linear scaling method. We conclude that the proposed non-linear scaling method is more accurate than linear scaling methods. Thus, when combined with the ability to reconstruct bone surfaces from incomplete or scattered geometry data using statistical shape models our proposed method is an alternative to linear scaling methods. Copyright © 2016 The Author. Published by Elsevier Ltd.. All rights reserved.
Exact solution to the Coulomb wave using the linearized phase-amplitude method
Directory of Open Access Journals (Sweden)
Shuji Kiyokawa
2015-08-01
Full Text Available The author shows that the amplitude equation from the phase-amplitude method of calculating continuum wave functions can be linearized into a 3rd-order differential equation. Using this linearized equation, in the case of the Coulomb potential, the author also shows that the amplitude function has an analytically exact solution represented by means of an irregular confluent hypergeometric function. Furthermore, it is shown that the exact solution for the Coulomb potential reproduces the wave function for free space expressed by the spherical Bessel function. The amplitude equation for the large component of the Dirac spinor is also shown to be the linearized 3rd-order differential equation.
Solution of linear and nonlinear matrix systems. Application to a nonlinear diffusion equation
International Nuclear Information System (INIS)
Bonnet, M.; Meurant, G.
1978-01-01
Different methods of solution of linear and nonlinear algebraic systems are applied to the nonlinear system obtained by discretizing a nonlinear diffusion equation. For linear systems, methods in general use of alternating directions type or Gauss Seidel's methods are compared to more recent ones of the type of generalized conjugate gradient; the superiority of the latter is shown by numerical examples. For nonlinear systems, a method on nonlinear conjugate gradient is studied as also Newton's method and some of its variants. It should be noted, however that Newton's method is found to be more efficient when coupled with a good method for solution of the linear system. To conclude, such methods are used to solve a nonlinear diffusion problem and the numerical results obtained are to be compared [fr
Prediction of scale potential in ethylene glycol containing solutions
Energy Technology Data Exchange (ETDEWEB)
Sandengen, Kristian; Oestvold, Terje
2006-03-15
This work presents a method for scale prediction in MEG (Mono Ethylene Glycol / 1,2-ethane-diol) containing solutions. It is based on an existing PVT scale model using a Pitzer ion interaction model for the aqueous phase. The model is well suited for scale prediction in saline solutions, where the PVT part is necessary for calculating CO{sub 2} phase equilibria being critical for carbonate scale. MEG influences the equilibria contained in the model, and its effect has been added empirically. Thus the accuracy of the model is limited by the amount of available experimental data. The model is applicable in the range 0-99wt% MEG and includes a wide variety of salts. In addition to the aspects of scale modelling in MEG+water solutions, this work presents new experimental data on CaSO4 solubility (0-95wt% MEG and 22-80 deg.C). CaSO4 solubility is greatly reduced by MEG to an extent that ''Salting-out'' is possible. (author) (tk)
Parallelized preconditioned BiCGStab solution of sparse linear system equations in F-COBRA-TF
International Nuclear Information System (INIS)
Geemert, Rene van; Glück, Markus; Riedmann, Michael; Gabriel, Harry
2011-01-01
Recently, the in-house development of a preconditioned and parallelized BiCGStab solver has been pursued successfully in AREVA’s advanced sub-channel code F-COBRA-TF. This solver can be run either in a sequential computation mode on a single CPU, or in a parallel computation mode on multiple parallel CPUs. The developed procedure enables the computation of several thousands of successive sparse linear system solutions in F-COBRA-TF with acceptable wall clock run times. The current paper provides general information about F-COBRA-TF in terms of modeling capabilities and application areas, and points out where the relevance arises for the efficient iterative solution of sparse linear systems. Furthermore, the preconditioning and parallelization strategies in the developed BiCGStab iterative solution approach are discussed. The paper is concluded with a number of verification examples. (author)
Large-scale dynamo action due to α fluctuations in a linear shear flow
Sridhar, S.; Singh, Nishant K.
2014-12-01
We present a model of large-scale dynamo action in a shear flow that has stochastic, zero-mean fluctuations of the α parameter. This is based on a minimal extension of the Kraichnan-Moffatt model, to include a background linear shear and Galilean-invariant α-statistics. Using the first-order smoothing approximation we derive a linear integro-differential equation for the large-scale magnetic field, which is non-perturbative in the shearing rate S , and the α-correlation time τα . The white-noise case, τα = 0 , is solved exactly, and it is concluded that the necessary condition for dynamo action is identical to the Kraichnan-Moffatt model without shear; this is because white-noise does not allow for memory effects, whereas shear needs time to act. To explore memory effects we reduce the integro-differential equation to a partial differential equation, valid for slowly varying fields when τα is small but non-zero. Seeking exponential modal solutions, we solve the modal dispersion relation and obtain an explicit expression for the growth rate as a function of the six independent parameters of the problem. A non-zero τα gives rise to new physical scales, and dynamo action is completely different from the white-noise case; e.g. even weak α fluctuations can give rise to a dynamo. We argue that, at any wavenumber, both Moffatt drift and Shear always contribute to increasing the growth rate. Two examples are presented: (a) a Moffatt drift dynamo in the absence of shear and (b) a Shear dynamo in the absence of Moffatt drift.
Numerical solution of non-linear dual-phase-lag bioheat transfer equation within skin tissues.
Kumar, Dinesh; Kumar, P; Rai, K N
2017-11-01
This paper deals with numerical modeling and simulation of heat transfer in skin tissues using non-linear dual-phase-lag (DPL) bioheat transfer model under periodic heat flux boundary condition. The blood perfusion is assumed temperature-dependent which results in non-linear DPL bioheat transfer model in order to predict more accurate results. A numerical method of line which is based on finite difference and Runge-Kutta (4,5) schemes, is used to solve the present non-linear problem. Under specific case, the exact solution has been obtained and compared with the present numerical scheme, and we found that those are in good agreement. A comparison based on model selection criterion (AIC) has been made among non-linear DPL models when the variation of blood perfusion rate with temperature is of constant, linear and exponential type with the experimental data and it has been found that non-linear DPL model with exponential variation of blood perfusion rate is closest to the experimental data. In addition, it is found that due to absence of phase-lag phenomena in Pennes bioheat transfer model, it achieves steady state more quickly and always predict higher temperature than thermal and DPL non-linear models. The effect of coefficient of blood perfusion rate, dimensionless heating frequency and Kirchoff number on dimensionless temperature distribution has also been analyzed. The whole analysis is presented in dimensionless form. Copyright © 2017 Elsevier Inc. All rights reserved.
Siragusa, Enrico; Haiminen, Niina; Utro, Filippo; Parida, Laxmi
2017-10-09
Computer simulations can be used to study population genetic methods, models and parameters, as well as to predict potential outcomes. For example, in plant populations, predicting the outcome of breeding operations can be studied using simulations. In-silico construction of populations with pre-specified characteristics is an important task in breeding optimization and other population genetic studies. We present two linear time Simulation using Best-fit Algorithms (SimBA) for two classes of problems where each co-fits two distributions: SimBA-LD fits linkage disequilibrium and minimum allele frequency distributions, while SimBA-hap fits founder-haplotype and polyploid allele dosage distributions. An incremental gap-filling version of previously introduced SimBA-LD is here demonstrated to accurately fit the target distributions, allowing efficient large scale simulations. SimBA-hap accuracy and efficiency is demonstrated by simulating tetraploid populations with varying numbers of founder haplotypes, we evaluate both a linear time greedy algoritm and an optimal solution based on mixed-integer programming. SimBA is available on http://researcher.watson.ibm.com/project/5669.
Energy Technology Data Exchange (ETDEWEB)
Cobb, J.W.
1995-02-01
There is an increasing need for more accurate numerical methods for large-scale nonlinear magneto-fluid turbulence calculations. These methods should not only increase the current state of the art in terms of accuracy, but should also continue to optimize other desired properties such as simplicity, minimized computation, minimized memory requirements, and robust stability. This includes the ability to stably solve stiff problems with long time-steps. This work discusses a general methodology for deriving higher-order numerical methods. It also discusses how the selection of various choices can affect the desired properties. The explicit discussion focuses on third-order Runge-Kutta methods, including general solutions and five examples. The study investigates the linear numerical analysis of these methods, including their accuracy, general stability, and stiff stability. Additional appendices discuss linear multistep methods, discuss directions for further work, and exhibit numerical analysis results for some other commonly used lower-order methods.
An efficient parallel algorithm for the solution of a tridiagonal linear system of equations
Stone, H. S.
1971-01-01
Tridiagonal linear systems of equations are solved on conventional serial machines in a time proportional to N, where N is the number of equations. The conventional algorithms do not lend themselves directly to parallel computations on computers of the ILLIAC IV class, in the sense that they appear to be inherently serial. An efficient parallel algorithm is presented in which computation time grows as log sub 2 N. The algorithm is based on recursive doubling solutions of linear recurrence relations, and can be used to solve recurrence relations of all orders.
The numerical solution of linear multi-term fractional differential equations: systems of equations
Edwards, John T.; Ford, Neville J.; Simpson, A. Charles
2002-11-01
In this paper, we show how the numerical approximation of the solution of a linear multi-term fractional differential equation can be calculated by reduction of the problem to a system of ordinary and fractional differential equations each of order at most unity. We begin by showing how our method applies to a simple class of problems and we give a convergence result. We solve the Bagley Torvik equation as an example. We show how the method can be applied to a general linear multi-term equation and give two further examples.
Non linear Euler-Poisson system. Part 1: global existence of low entropy solutions
International Nuclear Information System (INIS)
Cordier, S.
1995-05-01
In this work a 1-D model of electrons and ions plasma is considered. Electrons are supposed to be in Maxwell-Boltzmann thermodynamic equilibrium while ions are described with an isothermal flow model of charged particles submitted to a self-consistent electric field. A collision term between neutral particles and ions simulates the presence of neutral particles. This work demonstrates the existence of low entropy solutions for this simple model with arbitrary initial conditions. Most of the paper is devoted to the demonstration of this theorem and follows the successive steps: construction of a numerical scheme, recall of the classical properties of Riemann problem solutions using Glimm method, uniform estimations for the whole variation norm, and finally, convergence of the constructed solutions towards a low entropy solution for the non-linear Euler/Poisson system. Domains of application for this type of model are listed in the conclusion. (J.S.). 18 refs
Fast Combinatorial Algorithm for the Solution of Linearly Constrained Least Squares Problems
Van Benthem, Mark H.; Keenan, Michael R.
2008-11-11
A fast combinatorial algorithm can significantly reduce the computational burden when solving general equality and inequality constrained least squares problems with large numbers of observation vectors. The combinatorial algorithm provides a mathematically rigorous solution and operates at great speed by reorganizing the calculations to take advantage of the combinatorial nature of the problems to be solved. The combinatorial algorithm exploits the structure that exists in large-scale problems in order to minimize the number of arithmetic operations required to obtain a solution.
Unsteady Solution of Non-Linear Differential Equations Using Walsh Function Series
Gnoffo, Peter A.
2015-01-01
Walsh functions form an orthonormal basis set consisting of square waves. The discontinuous nature of square waves make the system well suited for representing functions with discontinuities. The product of any two Walsh functions is another Walsh function - a feature that can radically change an algorithm for solving non-linear partial differential equations (PDEs). The solution algorithm of non-linear differential equations using Walsh function series is unique in that integrals and derivatives may be computed using simple matrix multiplication of series representations of functions. Solutions to PDEs are derived as functions of wave component amplitude. Three sample problems are presented to illustrate the Walsh function series approach to solving unsteady PDEs. These include an advection equation, a Burgers equation, and a Riemann problem. The sample problems demonstrate the use of the Walsh function solution algorithms, exploiting Fast Walsh Transforms in multi-dimensions (O(Nlog(N))). Details of a Fast Walsh Reciprocal, defined here for the first time, enable inversion of aWalsh Symmetric Matrix in O(Nlog(N)) operations. Walsh functions have been derived using a fractal recursion algorithm and these fractal patterns are observed in the progression of pairs of wave number amplitudes in the solutions. These patterns are most easily observed in a remapping defined as a fractal fingerprint (FFP). A prolongation of existing solutions to the next highest order exploits these patterns. The algorithms presented here are considered a work in progress that provide new alternatives and new insights into the solution of non-linear PDEs.
Asymptotical Behavior of the Solution of a SDOF Linear Fractionally Damped Vibration System
Directory of Open Access Journals (Sweden)
Z.H. Wang
2011-01-01
Full Text Available Fractional-order derivative has been shown an adequate tool to the study of so-called "anomalous" social and physical behaviors, in reflecting their non-local, frequency- and history-dependent properties, and it has been used to model practical systems in engineering successfully, including the famous Bagley-Torvik equation modeling forced motion of a rigid plate immersed in Newtonian fluid. The solutions of the initial value problems of linear fractional differential equations are usually expressed in terms of Mittag-Leffler functions or some other kind of power series. Such forms of solutions are not good for engineers not only in understanding the solutions but also in investigation. This paper proves that for the linear SDOF oscillator with a damping described by fractional-order derivative whose order is between 1 and 2, the solution of its initial value problem free of external excitation consists of two parts, the first one is the 'eigenfunction expansion' that is similar to the case without fractional-order derivative, and the second one is a definite integral that is independent of the eigenvalues (or characteristic roots. The integral disappears in the classical linear oscillator and it can be neglected from the solution when stationary solution is addressed. Moreover, the response of the fractionally damped oscillator under harmonic excitation is calculated in a similar way, and it is found that the fractional damping with order between 1 and 2 can be used to produce oscillation with large amplitude as well as to suppress oscillation, depending on the ratio of the excitation frequency and the natural frequency.
International Nuclear Information System (INIS)
LaChapelle, J.
2004-01-01
A path integral is presented that solves a general class of linear second order partial differential equations with Dirichlet/Neumann boundary conditions. Elementary kernels are constructed for both Dirichlet and Neumann boundary conditions. The general solution can be specialized to solve elliptic, parabolic, and hyperbolic partial differential equations with boundary conditions. This extends the well-known path integral solution of the Schroedinger/diffusion equation in unbounded space. The construction is based on a framework for functional integration introduced by Cartier/DeWitt-Morette
q-analogue of summability of formal solutions of some linear q-difference-differential equations
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Hidetoshi Tahara
2015-01-01
Full Text Available Let \\(q\\gt 1\\. The paper considers a linear \\(q\\-difference-differential equation: it is a \\(q\\-difference equation in the time variable \\(t\\, and a partial differential equation in the space variable \\(z\\. Under suitable conditions and by using \\(q\\-Borel and \\(q\\-Laplace transforms (introduced by J.-P. Ramis and C. Zhang, the authors show that if it has a formal power series solution \\(\\hat{X}(t,z\\ one can construct an actual holomorphic solution which admits \\(\\hat{X}(t,z\\ as a \\(q\\-Gevrey asymptotic expansion of order \\(1\\.
"Real-Time Optical Laboratory Linear Algebra Solution Of Partial Differential Equations"
Casasent, David; Jackson, James
1986-03-01
A Space Integrating (SI) Optical Linear Algebra Processor (OLAP) employing space and frequency-multiplexing, new partitioning and data flow, and achieving high accuracy performance with a non base-2 number system is described. Laboratory data on the performance of this system and the solution of parabolic Partial Differential Equations (PDEs) is provided. A multi-processor OLAP system is also described for the first time. It use in the solution of multiple banded matrices that frequently arise is then discussed. The utility and flexibility of this processor compared to digital systolic architectures should be apparent.
A mixed-integer linear programming approach to the reduction of genome-scale metabolic networks.
Röhl, Annika; Bockmayr, Alexander
2017-01-03
Constraint-based analysis has become a widely used method to study metabolic networks. While some of the associated algorithms can be applied to genome-scale network reconstructions with several thousands of reactions, others are limited to small or medium-sized models. In 2015, Erdrich et al. introduced a method called NetworkReducer, which reduces large metabolic networks to smaller subnetworks, while preserving a set of biological requirements that can be specified by the user. Already in 2001, Burgard et al. developed a mixed-integer linear programming (MILP) approach for computing minimal reaction sets under a given growth requirement. Here we present an MILP approach for computing minimum subnetworks with the given properties. The minimality (with respect to the number of active reactions) is not guaranteed by NetworkReducer, while the method by Burgard et al. does not allow specifying the different biological requirements. Our procedure is about 5-10 times faster than NetworkReducer and can enumerate all minimum subnetworks in case there exist several ones. This allows identifying common reactions that are present in all subnetworks, and reactions appearing in alternative pathways. Applying complex analysis methods to genome-scale metabolic networks is often not possible in practice. Thus it may become necessary to reduce the size of the network while keeping important functionalities. We propose a MILP solution to this problem. Compared to previous work, our approach is more efficient and allows computing not only one, but even all minimum subnetworks satisfying the required properties.
Parallel Quasi Newton Algorithms for Large Scale Non Linear Unconstrained Optimization
International Nuclear Information System (INIS)
Rahman, M. A.; Basarudin, T.
1997-01-01
This paper discusses about Quasi Newton (QN) method to solve non-linear unconstrained minimization problems. One of many important of QN method is choice of matrix Hk. to be positive definite and satisfies to QN method. Our interest here is the parallel QN methods which will suite for the solution of large-scale optimization problems. The QN methods became less attractive in large-scale problems because of the storage and computational requirements. How ever, it is often the case that the Hessian is space matrix. In this paper we include the mechanism of how to reduce the Hessian update and hold the Hessian properties.One major reason of our research is that the QN method may be good in solving certain type of minimization problems, but it is efficiency degenerate when is it applied to solve other category of problems. For this reason, we use an algorithm containing several direction strategies which are processed in parallel. We shall attempt to parallelized algorithm by exploring different search directions which are generated by various QN update during the minimization process. The different line search strategies will be employed simultaneously in the process of locating the minimum along each direction.The code of algorithm will be written in Occam language 2 which is run on the transputer machine
Solutions to the linearized Navier-Stokes equations for channel flow via the WKB approximation
Leonard, Anthony
2017-11-01
Progress on determining semi-analytical solutions to the linearized Navier-Stokes equations for incompressible channel flow, laminar and turbulent, is reported. Use of the WKB approximation yields, e.g., solutions to initial-value problem for the inviscid Orr-Sommerfeld equation in terms of the Bessel functions J+ 1 / 3 ,J- 1 / 3 ,J1 , and Y1 and their modified counterparts for any given wave speed c = ω /kx and k⊥ ,(k⊥2 =kx2 +kz2) . Of particular note to be discussed is a sequence i = 1 , 2 , . . . of homogeneous inviscid solutions with complex k⊥ i for each speed c, (0 < c <=Umax), in the downstream direction. These solutions for the velocity component normal to the wall v are localized in the plane parallel to the wall. In addition, for limited range of negative c, (- c * <= c <= 0) , we have found upstream-traveling homogeneous solutions with real k⊥(c) . In both cases the solutions for v serve as a source for corresponding solutions to the inviscid Squire equation for the vorticity component normal to the wall ωy.
Multiobjective Optimization of Linear Cooperative Spectrum Sensing: Pareto Solutions and Refinement.
Yuan, Wei; You, Xinge; Xu, Jing; Leung, Henry; Zhang, Tianhang; Chen, Chun Lung Philip
2016-01-01
In linear cooperative spectrum sensing, the weights of secondary users and detection threshold should be optimally chosen to minimize missed detection probability and to maximize secondary network throughput. Since these two objectives are not completely compatible, we study this problem from the viewpoint of multiple-objective optimization. We aim to obtain a set of evenly distributed Pareto solutions. To this end, here, we introduce the normal constraint (NC) method to transform the problem into a set of single-objective optimization (SOO) problems. Each SOO problem usually results in a Pareto solution. However, NC does not provide any solution method to these SOO problems, nor any indication on the optimal number of Pareto solutions. Furthermore, NC has no preference over all Pareto solutions, while a designer may be only interested in some of them. In this paper, we employ a stochastic global optimization algorithm to solve the SOO problems, and then propose a simple method to determine the optimal number of Pareto solutions under a computational complexity constraint. In addition, we extend NC to refine the Pareto solutions and select the ones of interest. Finally, we verify the effectiveness and efficiency of the proposed methods through computer simulations.
TOEPLITZ, Solution of Linear Equation System with Toeplitz or Circulant Matrix
International Nuclear Information System (INIS)
Garbow, B.
1984-01-01
Description of program or function: TOEPLITZ is a collection of FORTRAN subroutines for solving linear systems Ax=b, where A is a Toeplitz matrix, a Circulant matrix, or has one or several block structures based on Toeplitz or Circulant matrices. Such systems arise in problems of electrodynamics, acoustics, mathematical statistics, algebra, in the numerical solution of integral equations with a difference kernel, and in the theory of stationary time series and signals
Directory of Open Access Journals (Sweden)
Qiong Liu
2012-01-01
Full Text Available We study the following fourth-order elliptic equations: Δ2+Δ=(,,∈Ω,=Δ=0,∈Ω, where Ω⊂ℝ is a bounded domain with smooth boundary Ω and (, is asymptotically linear with respect to at infinity. Using an equivalent version of Cerami's condition and the symmetric mountain pass lemma, we obtain the existence of multiple solutions for the equations.
On oscillations of solutions to second-order linear delay differential equations
Czech Academy of Sciences Publication Activity Database
Opluštil, Z.; Šremr, Jiří
2013-01-01
Roč. 20, č. 1 (2013), s. 65-94 ISSN 1072-947X Institutional support: RVO:67985840 Keywords : linear second-order delay differential equation * oscillatory solution Subject RIV: BA - General Mathematics Impact factor: 0.340, year: 2013 http://www.degruyter.com/view/j/gmj.2013.20.issue-1/gmj-2013-0001/gmj-2013-0001.xml?format=INT
Frank, T D; Beek, P J
2001-08-01
Recently, Küchler and Mensch [Stochastics Stochastics Rep. 40, 23 (1992)] derived exact stationary probability densities for linear stochastic delay differential equations. This paper presents an alternative derivation of these solutions by means of the Fokker-Planck approach introduced by Guillouzic [Phys. Rev. E 59, 3970 (1999); 61, 4906 (2000)]. Applications of this approach, which is argued to have greater generality, are discussed in the context of stochastic models for population growth and tracking movements.
Bounds and maximum principles for the solution of the linear transport equation
International Nuclear Information System (INIS)
Larsen, E.W.
1981-01-01
Pointwise bounds are derived for the solution of time-independent linear transport problems with surface sources in convex spatial domains. Under specified conditions, upper bounds are derived which, as a function of position, decrease with distance from the boundary. Also, sufficient conditions are obtained for the existence of maximum and minimum principles, and a counterexample is given which shows that such principles do not always exist
On oscillations of solutions to second-order linear delay differential equations
Czech Academy of Sciences Publication Activity Database
Opluštil, Z.; Šremr, Jiří
2013-01-01
Roč. 20, č. 1 (2013), s. 65-94 ISSN 1072-947X Institutional support: RVO:67985840 Keywords : linear second-order delay differential equation * oscillatory solution Subject RIV: BA - General Mathematics Impact factor: 0.340, year: 2013 http://www.degruyter.com/view/j/gmj.2013.20.issue-1/gmj-2013-0001/gmj-2013-0001. xml ?format=INT
Remark on zeros of solutions of second-order linear ordinary differential equations
Czech Academy of Sciences Publication Activity Database
Dosoudilová, M.; Lomtatidze, Alexander
2016-01-01
Roč. 23, č. 4 (2016), s. 571-577 ISSN 1072-947X Institutional support: RVO:67985840 Keywords : second-order linear equation * zeros of solutions * periodic boundary value problem Subject RIV: BA - General Mathematics Impact factor: 0.290, year: 2016 https://www.degruyter.com/view/j/gmj.2016.23.issue-4/gmj-2016-0052/gmj-2016-0052. xml
Exact Solution of Mutator Model with Linear Fitness and Finite Genome Length
Saakian, David B.
2017-08-01
We considered the infinite population version of the mutator phenomenon in evolutionary dynamics, looking at the uni-directional mutations in the mutator-specific genes and linear selection. We solved exactly the model for the finite genome length case, looking at the quasispecies version of the phenomenon. We calculated the mutator probability both in the statics and dynamics. The exact solution is important for us because the mutator probability depends on the genome length in a highly non-trivial way.
A General Construction of Linear Differential Equations with Solutions of Prescribed Properties
Czech Academy of Sciences Publication Activity Database
Neuman, František
2004-01-01
Roč. 17, č. 1 (2004), s. 71-76 ISSN 0893-9659 R&D Projects: GA AV ČR IAA1019902; GA ČR GA201/99/0295 Institutional research plan: CEZ:AV0Z1019905 Keywords : construction of linear differential equations * prescribed qualitative properties of solutions Subject RIV: BA - General Mathematics Impact factor: 0.414, year: 2004
Remark on zeros of solutions of second-order linear ordinary differential equations
Czech Academy of Sciences Publication Activity Database
Dosoudilová, M.; Lomtatidze, Alexander
2016-01-01
Roč. 23, č. 4 (2016), s. 571-577 ISSN 1072-947X Institutional support: RVO:67985840 Keywords : second-order linear equation * zero s of solutions * periodic boundary value problem Subject RIV: BA - General Mathematics Impact factor: 0.290, year: 2016 https://www.degruyter.com/view/j/gmj.2016.23.issue-4/gmj-2016-0052/gmj-2016-0052.xml
Solution of second order linear fuzzy difference equation by Lagrange's multiplier method
Directory of Open Access Journals (Sweden)
Sankar Prasad Mondal
2016-06-01
Full Text Available In this paper we execute the solution procedure for second order linear fuzzy difference equation by Lagrange's multiplier method. In crisp sense the difference equation are easy to solve, but when we take in fuzzy sense it forms a system of difference equation which is not so easy to solve. By the help of Lagrange's multiplier we can solved it easily. The results are illustrated by two different numerical examples and followed by two applications.
An algorithm for computing the hull of the solution set of interval linear equations
Czech Academy of Sciences Publication Activity Database
Rohn, Jiří
2011-01-01
Roč. 435, č. 2 (2011), s. 193-201 ISSN 0024-3795 R&D Projects: GA ČR GA201/09/1957; GA ČR GC201/08/J020 Institutional research plan: CEZ:AV0Z10300504 Keywords : interval linear equations * solution set * interval hull * algorithm * absolute value inequality Subject RIV: BA - General Mathematics Impact factor: 0.974, year: 2011
Economic planning for electric energy systems: a multi objective linearized approach for solution
International Nuclear Information System (INIS)
Mata Medeiros Branco, T. da.
1986-01-01
The economic planning problem associated to the expansion and operation of electrical power systems is considered in this study, represented for a vectorial objective function in which the minimization of resources involved and maximization of attended demand constitute goals to be satisfied. Supposing all the variables involved with linear characteristic and considering the conflict existing among the objectives to be achieved, in order to find a solution, a multi objective linearized approach is proposed. This approximation utilizes the compromise programming technique and linear programming methods. Generation and transmission are simultaneously considered into the optimization process in which associated losses and the capacity of each line are included. Illustrated examples are also presented with results discussed. (author)
On the economical solution method for a system of linear algebraic equations
Directory of Open Access Journals (Sweden)
Jan Awrejcewicz
2004-01-01
Full Text Available The present work proposes a novel optimal and exact method of solving large systems of linear algebraic equations. In the approach under consideration, the solution of a system of algebraic linear equations is found as a point of intersection of hyperplanes, which needs a minimal amount of computer operating storage. Two examples are given. In the first example, the boundary value problem for a three-dimensional stationary heat transfer equation in a parallelepiped in ℝ3 is considered, where boundary value problems of first, second, or third order, or their combinations, are taken into account. The governing differential equations are reduced to algebraic ones with the help of the finite element and boundary element methods for different meshes applied. The obtained results are compared with known analytical solutions. The second example concerns computation of a nonhomogeneous shallow physically and geometrically nonlinear shell subject to transversal uniformly distributed load. The partial differential equations are reduced to a system of nonlinear algebraic equations with the error of O(hx12+hx22. The linearization process is realized through either Newton method or differentiation with respect to a parameter. In consequence, the relations of the boundary condition variations along the shell side and the conditions for the solution matching are reported.
Impact of quadratic non-linearity on the dynamics of periodic solutions of a wave equation
International Nuclear Information System (INIS)
Kolesov, Andrei Yu; Rozov, Nikolai Kh
2002-01-01
For the non-linear telegraph equation with homogeneous Dirichlet or Neumann conditions at the end-points of a finite interval the question of the existence and the stability of time-periodic solutions bifurcating from the zero equilibrium state is considered. The dynamics of these solutions under a change of the diffusion coefficient (that is, the coefficient of the second derivative with respect to the space variable) is investigated. For the Dirichlet boundary conditions it is shown that this dynamics substantially depends on the presence - or the absence - of quadratic terms in the non-linearity. More precisely, it is shown that a quadratic non-linearity results in the occurrence, under an unbounded decrease of diffusion, of an infinite sequence of bifurcations of each periodic solution. En route, the related issue of the limits of applicability of Yu.S. Kolesov's method of quasinormal forms to the construction of self-oscillations in singularly perturbed hyperbolic boundary value problems is studied
Energy Technology Data Exchange (ETDEWEB)
Lorber, A.A.; Carey, G.F.; Bova, S.W.; Harle, C.H. [Univ. of Texas, Austin, TX (United States)
1996-12-31
The connection between the solution of linear systems of equations by iterative methods and explicit time stepping techniques is used to accelerate to steady state the solution of ODE systems arising from discretized PDEs which may involve either physical or artificial transient terms. Specifically, a class of Runge-Kutta (RK) time integration schemes with extended stability domains has been used to develop recursion formulas which lead to accelerated iterative performance. The coefficients for the RK schemes are chosen based on the theory of Chebyshev iteration polynomials in conjunction with a local linear stability analysis. We refer to these schemes as Chebyshev Parameterized Runge Kutta (CPRK) methods. CPRK methods of one to four stages are derived as functions of the parameters which describe an ellipse {Epsilon} which the stability domain of the methods is known to contain. Of particular interest are two-stage, first-order CPRK and four-stage, first-order methods. It is found that the former method can be identified with any two-stage RK method through the correct choice of parameters. The latter method is found to have a wide range of stability domains, with a maximum extension of 32 along the real axis. Recursion performance results are presented below for a model linear convection-diffusion problem as well as non-linear fluid flow problems discretized by both finite-difference and finite-element methods.
On Attainability of Optimal Solutions for Linear Elliptic Equations with Unbounded Coefficients
Directory of Open Access Journals (Sweden)
P. I. Kogut
2011-12-01
Full Text Available We study an optimal boundary control problem (OCP associated to a linear elliptic equation —div (Vj/ + A(xVy = f describing diffusion in a turbulent flow. The characteristic feature of this equation is the fact that, in applications, the stream matrix A(x = [a,ij(x]i,j=i,...,N is skew-symmetric, ац(х = —a,ji(x, measurable, and belongs to L -space (rather than L°°. An optimal solution to such problem can inherit a singular character of the original stream matrix A. We show that optimal solutions can be attainable by solutions of special optimal boundary control problems.
The structure of solutions of the matrix linear unilateral polynomial equation with two variables
Directory of Open Access Journals (Sweden)
N. S. Dzhaliuk
2017-07-01
Full Text Available We investigate the structure of solutions of the matrix linear polynomial equation $A(\\lambdaX(\\lambda+B(\\lambdaY(\\lambda=C(\\lambda,$ in particular, possible degrees of the solutions. The solving of this equation is reduced to the solving of the equivalent matrix polynomial equation with matrix coefficients in triangular forms with invariant factors on the main diagonals, to which the matrices $A (\\lambda, B(\\lambda$ \\ and \\ $C(\\lambda$ are reduced by means of semiscalar equivalent transformations. On the basis of it, we have pointed out the bounds of the degrees of the matrix polynomial equation solutions. Necessary and sufficient conditions for the uniqueness of a solution with a minimal degree are established. An effective method for constructing minimal degree solutions of the equations is suggested. In this article, unlike well-known results about the estimations of the degrees of the solutions of the matrix polynomial equations in which both matrix coefficients are regular or at least one of them is regular, we have considered the case when the matrix polynomial equation has arbitrary matrix coefficients $A(\\lambda$ and $B(\\lambda.$
Spherically symmetric analysis on open FLRW solution in non-linear massive gravity
Energy Technology Data Exchange (ETDEWEB)
Chiang, Chien-I; Izumi, Keisuke; Chen, Pisin, E-mail: chienichiang@berkeley.edu, E-mail: izumi@phys.ntu.edu.tw, E-mail: chen@slac.stanford.edu [Leung Center for Cosmology and Particle Astrophysics, National Taiwan University, Taipei 10617, Taiwan (China)
2012-12-01
We study non-linear massive gravity in the spherically symmetric context. Our main motivation is to investigate the effect of helicity-0 mode which remains elusive after analysis of cosmological perturbation around an open Friedmann-Lemaitre-Robertson-Walker (FLRW) universe. The non-linear form of the effective energy-momentum tensor stemming from the mass term is derived for the spherically symmetric case. Only in the special case where the area of the two sphere is not deviated away from the FLRW universe, the effective energy momentum tensor becomes completely the same as that of cosmological constant. This opens a window for discriminating the non-linear massive gravity from general relativity (GR). Indeed, by further solving these spherically symmetric gravitational equations of motion in vacuum to the linear order, we obtain a solution which has an arbitrary time-dependent parameter. In GR, this parameter is a constant and corresponds to the mass of a star. Our result means that Birkhoff's theorem no longer holds in the non-linear massive gravity and suggests that energy can probably be emitted superluminously (with infinite speed) on the self-accelerating background by the helicity-0 mode, which could be a potential plague of this theory.
Krishnan, M.
2017-05-01
We present a model for calculating the net and effective electrical charge of globular macromolecules and linear polyelectrolytes such as proteins and DNA, given the concentration of monovalent salt and pH in solution. The calculation is based on a numerical solution of the non-linear Poisson-Boltzmann equation using a finite element discretized continuum approach. The model simultaneously addresses the phenomena of charge regulation and renormalization, both of which underpin the electrostatics of biomolecules in solution. We show that while charge regulation addresses the true electrical charge of a molecule arising from the acid-base equilibria of its ionizable groups, charge renormalization finds relevance in the context of a molecule's interaction with another charged entity. Writing this electrostatic interaction free energy in terms of a local electrical potential, we obtain an "interaction charge" for the molecule which we demonstrate agrees closely with the "effective charge" discussed in charge renormalization and counterion-condensation theories. The predictions of this model agree well with direct high-precision measurements of effective electrical charge of polyelectrolytes such as nucleic acids and disordered proteins in solution, without tunable parameters. Including the effective interior dielectric constant for compactly folded molecules as a tunable parameter, the model captures measurements of effective charge as well as published trends of pKa shifts in globular proteins. Our results suggest a straightforward general framework to model electrostatics in biomolecules in solution. In offering a platform that directly links theory and experiment, these calculations could foster a systematic understanding of the interrelationship between molecular 3D structure and conformation, electrical charge and electrostatic interactions in solution. The model could find particular relevance in situations where molecular crystal structures are not available or
International Nuclear Information System (INIS)
Qin, Hong; Davidson, Ronald C.
2011-01-01
In a linear trap confining a one-component nonneutral plasma, the external focusing force is a linear function of the configuration coordinates and/or the velocity coordinates. Linear traps include the classical Paul trap and the Penning trap, as well as the newly proposed rotating-radio- frequency traps and the Mobius accelerator. This paper describes a class of self-similar nonlinear solutions of nonneutral plasma in general time-dependent linear focusing devices, with self-consistent electrostatic field. This class of nonlinear solutions includes many known solutions as special cases.
Li, Bing; Li, Yongkun; Zhang, Xuemei
2016-01-01
In this paper, by using the existence of the exponential dichotomy of linear dynamic equations on time scales and the theory of calculus on time scales, we study the existence and global exponential stability of periodic solutions for a class of n-dimensional neutral dynamic equations on time scales. We also present an example to illustrate the feasibility of our results. The results of this paper are completely new and complementary to the previously known results even in both the case of differential equations (time scale [Formula: see text]) and the case of difference equations (time scale [Formula: see text]).
International Nuclear Information System (INIS)
Eckstein, U.; Harte, R.; Kraetzig, W.B.; Wittek, U.
1983-01-01
In order to describe nonlinear response and instability behaviour the paper starts with the total potential energy considering the basic kinematic equations of a consistent nonlinear shell theory for large displacements and moderate rotations. The material behaviour is assumed to be hyperelastic and isotropic. The incrementation and discretization of the total potential energy leads to the tangent stiffness relation, which is the central equation of computational algorithms based on combined incremental and iterative techniques. Here a symmetrized form of the RIKS/WEMPNER-algorithm for positive and negative load incrementation represents the basis of the nonlinear solution technique. To detect secondary equilibrium branches at points of neutral equilibrium within nonlinear primary paths a quadratic eigenvalue-problem has to be solved. In order to follow those complicated nonlinear response phenomena the RIKS/WEMPNER incrementation/iteration process is combined with a simultaneous solution of the linearized quadratic eigenvalue-problem. Additionally the essentials of a recently derived family of arbitrarily curved shell elements for linear (LACS) and geometrically nonlinear (NACS) shell problems are presented. The main advantage of these elements is the exact description of all geometric properties as well as the energy-equivalent representation of the applied loads in combination with an efficient algorithm to form the stiffness submatrices. Especially the NACS-elements are designed to improve the accuracy of the solution in the deep postbuckling range including moderate rotations. The derived finite elements and solution strategies are applied to a certain number of typical shell problems to prove the precision of the shell elements and to demonstrate the possibilities of tracing linear and nonlinear bifurcation problems as well as snap-through phenomena with and without secondary bifurcation branches. (orig.)
Efficient numerical methods for the large-scale, parallel solution of elastoplastic contact problems
Frohne, Jörg
2015-08-06
© 2016 John Wiley & Sons, Ltd. Quasi-static elastoplastic contact problems are ubiquitous in many industrial processes and other contexts, and their numerical simulation is consequently of great interest in accurately describing and optimizing production processes. The key component in these simulations is the solution of a single load step of a time iteration. From a mathematical perspective, the problems to be solved in each time step are characterized by the difficulties of variational inequalities for both the plastic behavior and the contact problem. Computationally, they also often lead to very large problems. In this paper, we present and evaluate a complete set of methods that are (1) designed to work well together and (2) allow for the efficient solution of such problems. In particular, we use adaptive finite element meshes with linear and quadratic elements, a Newton linearization of the plasticity, active set methods for the contact problem, and multigrid-preconditioned linear solvers. Through a sequence of numerical experiments, we show the performance of these methods. This includes highly accurate solutions of a three-dimensional benchmark problem and scaling our methods in parallel to 1024 cores and more than a billion unknowns.
Efficient numerical methods for the large-scale, parallel solution of elastoplastic contact problems
Frohne, Jö rg; Heister, Timo; Bangerth, Wolfgang
2015-01-01
© 2016 John Wiley & Sons, Ltd. Quasi-static elastoplastic contact problems are ubiquitous in many industrial processes and other contexts, and their numerical simulation is consequently of great interest in accurately describing and optimizing production processes. The key component in these simulations is the solution of a single load step of a time iteration. From a mathematical perspective, the problems to be solved in each time step are characterized by the difficulties of variational inequalities for both the plastic behavior and the contact problem. Computationally, they also often lead to very large problems. In this paper, we present and evaluate a complete set of methods that are (1) designed to work well together and (2) allow for the efficient solution of such problems. In particular, we use adaptive finite element meshes with linear and quadratic elements, a Newton linearization of the plasticity, active set methods for the contact problem, and multigrid-preconditioned linear solvers. Through a sequence of numerical experiments, we show the performance of these methods. This includes highly accurate solutions of a three-dimensional benchmark problem and scaling our methods in parallel to 1024 cores and more than a billion unknowns.
Li, Yanning
2013-10-01
This article presents a new robust control framework for transportation problems in which the state is modeled by a first order scalar conservation law. Using an equivalent formulation based on a Hamilton-Jacobi equation, we pose the problem of controlling the state of the system on a network link, using boundary flow control, as a Linear Program. Unlike many previously investigated transportation control schemes, this method yields a globally optimal solution and is capable of handling shocks (i.e. discontinuities in the state of the system). We also demonstrate that the same framework can handle robust control problems, in which the uncontrollable components of the initial and boundary conditions are encoded in intervals on the right hand side of inequalities in the linear program. The lower bound of the interval which defines the smallest feasible solution set is used to solve the robust LP (or MILP if the objective function depends on boolean variables). Since this framework leverages the intrinsic properties of the Hamilton-Jacobi equation used to model the state of the system, it is extremely fast. Several examples are given to demonstrate the performance of the robust control solution and the trade-off between the robustness and the optimality. © 2013 IEEE.
International Nuclear Information System (INIS)
Shimizu, Yoshiaki
1988-01-01
Due to the simplicity and effectiveness, linear program has been popular in the actual optimization in various fields. In the previous study, the uncertainty involved in the model at the different stage of optimization was dealt with by post-optimizing analysis. But it often becomes insufficient to make a decision how to deal with an uncertain system especially suffering large parameter deviation. Recently in the field of processing systems, it is desired to obtain a flexible solution which can present the counterplan to a deviating system from a practical viewpoint. The scope of this preliminary note presents how to apply a methodology development to obtain the flexible solution of a linear program. For this purpose, a simple example associated with nuclear reactor decommissioning is shown. The problem to maximize a system performance given as an objective function under the constraint of the static behavior of the system is considered, and the flexible solution is determined. In Japan, the decommissioning of commercial nuclear power plants will being in near future, and the study using the retired research reactor JPDR is in progress. The planning of decontamination and the reuse of wastes is taken as the example. (Kako, I.)
Li, Yanning; Canepa, Edward S.; Claudel, Christian G.
2013-01-01
This article presents a new robust control framework for transportation problems in which the state is modeled by a first order scalar conservation law. Using an equivalent formulation based on a Hamilton-Jacobi equation, we pose the problem of controlling the state of the system on a network link, using boundary flow control, as a Linear Program. Unlike many previously investigated transportation control schemes, this method yields a globally optimal solution and is capable of handling shocks (i.e. discontinuities in the state of the system). We also demonstrate that the same framework can handle robust control problems, in which the uncontrollable components of the initial and boundary conditions are encoded in intervals on the right hand side of inequalities in the linear program. The lower bound of the interval which defines the smallest feasible solution set is used to solve the robust LP (or MILP if the objective function depends on boolean variables). Since this framework leverages the intrinsic properties of the Hamilton-Jacobi equation used to model the state of the system, it is extremely fast. Several examples are given to demonstrate the performance of the robust control solution and the trade-off between the robustness and the optimality. © 2013 IEEE.
Energy Technology Data Exchange (ETDEWEB)
Song, Hyun-Seob; Goldberg, Noam; Mahajan, Ashutosh; Ramkrishna, Doraiswami
2017-03-27
Elementary (flux) modes (EMs) have served as a valuable tool for investigating structural and functional properties of metabolic networks. Identification of the full set of EMs in genome-scale networks remains challenging due to combinatorial explosion of EMs in complex networks. It is often, however, that only a small subset of relevant EMs needs to be known, for which optimization-based sequential computation is a useful alternative. Most of the currently available methods along this line are based on the iterative use of mixed integer linear programming (MILP), the effectiveness of which significantly deteriorates as the number of iterations builds up. To alleviate the computational burden associated with the MILP implementation, we here present a novel optimization algorithm termed alternate integer linear programming (AILP). Results: Our algorithm was designed to iteratively solve a pair of integer programming (IP) and linear programming (LP) to compute EMs in a sequential manner. In each step, the IP identifies a minimal subset of reactions, the deletion of which disables all previously identified EMs. Thus, a subsequent LP solution subject to this reaction deletion constraint becomes a distinct EM. In cases where no feasible LP solution is available, IP-derived reaction deletion sets represent minimal cut sets (MCSs). Despite the additional computation of MCSs, AILP achieved significant time reduction in computing EMs by orders of magnitude. The proposed AILP algorithm not only offers a computational advantage in the EM analysis of genome-scale networks, but also improves the understanding of the linkage between EMs and MCSs.
International Nuclear Information System (INIS)
Merton, S. R.; Smedley-Stevenson, R. P.; Pain, C. C.; Buchan, A. G.; Eaton, M. D.
2009-01-01
This paper describes a new Non-Linear Discontinuous Petrov-Galerkin (NDPG) method and application to the one-speed Boltzmann Transport Equation (BTE) for space-time problems. The purpose of the method is to remove unwanted oscillations in the transport solution which occur in the vicinity of sharp flux gradients, while improving computational efficiency and numerical accuracy. This is achieved by applying artificial dissipation in the solution gradient direction, internal to an element using a novel finite element (FE) Riemann approach. The amount of dissipation added acts internal to each element. This is done using a gradient-informed scaling of the advection velocities in the stabilisation term. This makes the method in its most general form non-linear. The method is designed to be independent of angular expansion framework. This is demonstrated for the both discrete ordinates (S N ) and spherical harmonics (P N ) descriptions of the angular variable. Results show the scheme performs consistently well in demanding time dependent and multi-dimensional radiation transport problems. (authors)
A national-scale model of linear features improves predictions of farmland biodiversity.
Sullivan, Martin J P; Pearce-Higgins, James W; Newson, Stuart E; Scholefield, Paul; Brereton, Tom; Oliver, Tom H
2017-12-01
Modelling species distribution and abundance is important for many conservation applications, but it is typically performed using relatively coarse-scale environmental variables such as the area of broad land-cover types. Fine-scale environmental data capturing the most biologically relevant variables have the potential to improve these models. For example, field studies have demonstrated the importance of linear features, such as hedgerows, for multiple taxa, but the absence of large-scale datasets of their extent prevents their inclusion in large-scale modelling studies.We assessed whether a novel spatial dataset mapping linear and woody-linear features across the UK improves the performance of abundance models of 18 bird and 24 butterfly species across 3723 and 1547 UK monitoring sites, respectively.Although improvements in explanatory power were small, the inclusion of linear features data significantly improved model predictive performance for many species. For some species, the importance of linear features depended on landscape context, with greater importance in agricultural areas. Synthesis and applications . This study demonstrates that a national-scale model of the extent and distribution of linear features improves predictions of farmland biodiversity. The ability to model spatial variability in the role of linear features such as hedgerows will be important in targeting agri-environment schemes to maximally deliver biodiversity benefits. Although this study focuses on farmland, data on the extent of different linear features are likely to improve species distribution and abundance models in a wide range of systems and also can potentially be used to assess habitat connectivity.
A Fast Condensing Method for Solution of Linear-Quadratic Control Problems
DEFF Research Database (Denmark)
Frison, Gianluca; Jørgensen, John Bagterp
2013-01-01
consider a condensing (or state elimination) method to solve an extended version of the LQ control problem, and we show how to exploit the structure of this problem to both factorize the dense Hessian matrix and solve the system. Furthermore, we present two efficient implementations. The first......In both Active-Set (AS) and Interior-Point (IP) algorithms for Model Predictive Control (MPC), sub-problems in the form of linear-quadratic (LQ) control problems need to be solved at each iteration. The solution of these sub-problems is usually the main computational effort. In this paper we...... implementation is formally identical to the Riccati recursion based solver and has a computational complexity that is linear in the control horizon length and cubic in the number of states. The second implementation has a computational complexity that is quadratic in the control horizon length as well...
Scaling the robustness of the solutions for quantum controllable problems
International Nuclear Information System (INIS)
Kallush, S.; Kosloff, R.
2011-01-01
The major task in quantum control theory is to find an external field that transforms the system from one state to another or executes a predetermined unitary transformation. We investigate the difficulty of computing the control field as the size of the Hilbert space is increased. In the models studied the controls form a small closed subalgebra of operators. Complete controllability is obtained by the commutators of the controls with the stationary Hamiltonian. We investigate the scaling of the computation effort required to converge a solution for the quantum control task with respect to the size of the Hilbert space. The models studied include the double-well Bose Hubbard model with the SU(2) control subalgebra and the Morse oscillator with the Heisenberg-Weil algebra. We find that for initial and target states that are classified as generalized coherent states (GCSs) of the control subalgebra the control field is easily found independent of the size of the Hilbert space. For such problems, a control field generated for a small system can serve as a pilot for finding the field for larger systems. Attempting to employ pilot fields that generate superpositions of GCSs or cat states failed. No relation was found between control solutions of different Hilbert space sizes. In addition the task of finding such a field scales unfavorably with Hilbert space sizes. We demonstrate the use of symmetry to obtain quantum transitions between states without phase information. Implications to quantum computing are discussed.
Multi-scale modelling of uranyl chloride solutions
Energy Technology Data Exchange (ETDEWEB)
Nguyen, Thanh-Nghi; Duvail, Magali, E-mail: magali.duvail@icsm.fr; Villard, Arnaud; Dufrêche, Jean-François, E-mail: jean-francois.dufreche@univ-montp2.fr [Institut de Chimie Séparative de Marcoule (ICSM), UMR 5257, CEA-CNRS-Université Montpellier 2-ENSCM, Site de Marcoule, Bâtiment 426, BP 17171, F-30207 Bagnols-sur-Cèze Cedex (France); Molina, John Jairo [Fukui Institute for Fundamental Chemistry, Kyoto University, Takano-Nishihiraki-cho 34-4, Sakyo-ku, Kyoto 606-8103 (Japan); Guilbaud, Philippe [CEA/DEN/DRCP/SMCS/LILA, Marcoule, F-30207 Bagnols-sur-Cèze Cedex (France)
2015-01-14
Classical molecular dynamics simulations with explicit polarization have been successfully used to determine the structural and thermodynamic properties of binary aqueous solutions of uranyl chloride (UO{sub 2}Cl{sub 2}). Concentrated aqueous solutions of uranyl chloride have been studied to determine the hydration properties and the ion-ion interactions. The bond distances and the coordination number of the hydrated uranyl are in good agreement with available experimental data. Two stable positions of chloride in the second hydration shell of uranyl have been identified. The UO{sub 2}{sup 2+}-Cl{sup −} association constants have also been calculated using a multi-scale approach. First, the ion-ion potential averaged over the solvent configurations at infinite dilution (McMillan-Mayer potential) was calculated to establish the dissociation/association processes of UO{sub 2}{sup 2+}-Cl{sup −} ion pairs in aqueous solution. Then, the association constant was calculated from this potential. The value we obtained for the association constant is in good agreement with the experimental result (K{sub UO{sub 2Cl{sup +}}} = 1.48 l mol{sup −1}), but the resulting activity coefficient appears to be too low at molar concentration.
Role of statistical linearization in the solution of nonlinear stochastic equations
International Nuclear Information System (INIS)
Budgor, A.B.
1977-01-01
The solution of a generalized Langevin equation is referred to as a stochastic process. If the external forcing function is Gaussian white noise, the forward Kolmogarov equation yields the transition probability density function. Nonlinear problems must be handled by approximation procedures e.g., perturbation theories, eigenfunction expansions, and nonlinear optimization procedures. After some comments on the first two of these, attention is directed to the third, and the method of statistical linearization is used to demonstrate a relation to the former two. Nonlinear stochastic systems exhibiting sustained or forced oscillations and the centered nonlinear Schroedinger equation in the presence of Gaussian white noise excitation are considered as examples. 5 figures, 2 tables
Comparison of different methods for the solution of sets of linear equations
International Nuclear Information System (INIS)
Bilfinger, T.; Schmidt, F.
1978-06-01
The application of the conjugate-gradient methods as novel general iterative methods for the solution of sets of linear equations with symmetrical systems matrices led to this paper, where a comparison of these methods with the conventional differently accelerated Gauss-Seidel iteration was carried out. In additon, the direct Cholesky method was also included in the comparison. The studies referred mainly to memory requirement, computing time, speed of convergence, and accuracy of different conditions of the systems matrices, by which also the sensibility of the methods with respect to the influence of truncation errors may be recognized. (orig.) 891 RW [de
International Nuclear Information System (INIS)
Dehghan, Mehdi; Shakourifar, Mohammad; Hamidi, Asgar
2009-01-01
The purpose of this study is to implement Adomian-Pade (Modified Adomian-Pade) technique, which is a combination of Adomian decomposition method (Modified Adomian decomposition method) and Pade approximation, for solving linear and nonlinear systems of Volterra functional equations. The results obtained by using Adomian-Pade (Modified Adomian-Pade) technique, are compared to those obtained by using Adomian decomposition method (Modified Adomian decomposition method) alone. The numerical results, demonstrate that ADM-PADE (MADM-PADE) technique, gives the approximate solution with faster convergence rate and higher accuracy than using the standard ADM (MADM).
A comparative study of iterative solutions to linear systems arising in quantum mechanics
International Nuclear Information System (INIS)
Jing Yanfei; Huang Tingzhu; Duan Yong; Carpentieri, Bruno
2010-01-01
This study is mainly focused on iterative solutions with simple diagonal preconditioning to two complex-valued nonsymmetric systems of linear equations arising from a computational chemistry model problem proposed by Sherry Li of NERSC. Numerical experiments show the feasibility of iterative methods to some extent when applied to the problems and reveal the competitiveness of our recently proposed Lanczos biconjugate A-orthonormalization methods to other classic and popular iterative methods. By the way, experiment results also indicate that application specific preconditioners may be mandatory and required for accelerating convergence.
An overview of solution methods for multi-objective mixed integer linear programming programs
DEFF Research Database (Denmark)
Andersen, Kim Allan; Stidsen, Thomas Riis
Multiple objective mixed integer linear programming (MOMIP) problems are notoriously hard to solve to optimality, i.e. finding the complete set of non-dominated solutions. We will give an overview of existing methods. Among those are interactive methods, the two phases method and enumeration...... methods. In particular we will discuss the existing branch and bound approaches for solving multiple objective integer programming problems. Despite the fact that branch and bound methods has been applied successfully to integer programming problems with one criterion only a few attempts has been made...
On the existence of tunneling bounce solutions in piecewise linear potentials
International Nuclear Information System (INIS)
Dutta, Koushik; Hector, Cecelie; Konstandin, Thomas; Vaudrevange, Pascal M.; Westphal, Alexander
2012-02-01
Coleman tunneling in a general scalar potential with two non-degenerate minima is known to have an approximation in terms of a piecewise linear triangular-shaped potential with sharp 'kinks' at the place of the local minima. This approximate potential has a regime where the existence of the bounce solution needs the scalar field to 'wait' for some amount of Euclidean time at one of the 'kinks'. We discuss under which circumstances the correct bounce action can be consistently obtained as the limiting case of a regular scalar potential where 'kinks' are resolved as locally smooth 'cap' regions. (orig.)
Growth and Zeros of Meromorphic Solutions to Second-Order Linear Differential Equations
Directory of Open Access Journals (Sweden)
Maamar Andasmas
2016-04-01
Full Text Available The main purpose of this article is to investigate the growth of meromorphic solutions to homogeneous and non-homogeneous second order linear differential equations f00+Af0+Bf = F, where A(z, B (z and F (z are meromorphic functions with finite order having only finitely many poles. We show that, if there exist a positive constants σ > 0, α > 0 such that |A(z| ≥ eα|z|σ as |z| → +∞, z ∈ H, where dens{|z| : z ∈ H} > 0 and ρ = max{ρ(B, ρ(F} < σ, then every transcendental meromorphic solution f has an infinite order. Further, we give some estimates of their hyper-order, exponent and hyper-exponent of convergence of distinct zeros.
Phantom solution in a non-linear Israel-Stewart theory
Cruz, Miguel; Cruz, Norman; Lepe, Samuel
2017-06-01
In this paper we present a phantom solution with a big rip singularity in a non-linear regime of the Israel-Stewart formalism. In this framework it is possible to extend this causal formalism in order to describe accelerated expansion, where assumption of near equilibrium is no longer valid. We assume a flat universe filled with a single viscous fluid ruled by a barotropic EoS, p = ωρ, which can represent a late time accelerated phase of the cosmic evolution. The solution allows to cross the phantom divide without evoking an exotic matter fluid and the effective EoS parameter is always lesser than -1 and constant in time.
Clemens, Joshua William
Game theory has application across multiple fields, spanning from economic strategy to optimal control of an aircraft and missile on an intercept trajectory. The idea of game theory is fascinating in that we can actually mathematically model real-world scenarios and determine optimal decision making. It may not always be easy to mathematically model certain real-world scenarios, nonetheless, game theory gives us an appreciation for the complexity involved in decision making. This complexity is especially apparent when the players involved have access to different information upon which to base their decision making (a nonclassical information pattern). Here we will focus on the class of adversarial two-player games (sometimes referred to as pursuit-evasion games) with nonclassical information pattern. We present a two-sided (simultaneous) optimization solution method for the two-player linear quadratic Gaussian (LQG) multistage game. This direct solution method allows for further interpretation of each player's decision making (strategy) as compared to previously used formal solution methods. In addition to the optimal control strategies, we present a saddle point proof and we derive an expression for the optimal performance index value. We provide some numerical results in order to further interpret the optimal control strategies and to highlight real-world application of this game-theoretic optimal solution.
Hanks, Brantley R.; Skelton, Robert E.
1991-01-01
Vibration in modern structural and mechanical systems can be reduced in amplitude by increasing stiffness, redistributing stiffness and mass, and/or adding damping if design techniques are available to do so. Linear Quadratic Regulator (LQR) theory in modern multivariable control design, attacks the general dissipative elastic system design problem in a global formulation. The optimal design, however, allows electronic connections and phase relations which are not physically practical or possible in passive structural-mechanical devices. The restriction of LQR solutions (to the Algebraic Riccati Equation) to design spaces which can be implemented as passive structural members and/or dampers is addressed. A general closed-form solution to the optimal free-decay control problem is presented which is tailored for structural-mechanical system. The solution includes, as subsets, special cases such as the Rayleigh Dissipation Function and total energy. Weighting matrix selection is a constrained choice among several parameters to obtain desired physical relationships. The closed-form solution is also applicable to active control design for systems where perfect, collocated actuator-sensor pairs exist.
Fast solution of elliptic partial differential equations using linear combinations of plane waves.
Pérez-Jordá, José M
2016-02-01
Given an arbitrary elliptic partial differential equation (PDE), a procedure for obtaining its solution is proposed based on the method of Ritz: the solution is written as a linear combination of plane waves and the coefficients are obtained by variational minimization. The PDE to be solved is cast as a system of linear equations Ax=b, where the matrix A is not sparse, which prevents the straightforward application of standard iterative methods in order to solve it. This sparseness problem can be circumvented by means of a recursive bisection approach based on the fast Fourier transform, which makes it possible to implement fast versions of some stationary iterative methods (such as Gauss-Seidel) consuming O(NlogN) memory and executing an iteration in O(Nlog(2)N) time, N being the number of plane waves used. In a similar way, fast versions of Krylov subspace methods and multigrid methods can also be implemented. These procedures are tested on Poisson's equation expressed in adaptive coordinates. It is found that the best results are obtained with the GMRES method using a multigrid preconditioner with Gauss-Seidel relaxation steps.
A simplified density matrix minimization for linear scaling self-consistent field theory
International Nuclear Information System (INIS)
Challacombe, M.
1999-01-01
A simplified version of the Li, Nunes and Vanderbilt [Phys. Rev. B 47, 10891 (1993)] and Daw [Phys. Rev. B 47, 10895 (1993)] density matrix minimization is introduced that requires four fewer matrix multiplies per minimization step relative to previous formulations. The simplified method also exhibits superior convergence properties, such that the bulk of the work may be shifted to the quadratically convergent McWeeny purification, which brings the density matrix to idempotency. Both orthogonal and nonorthogonal versions are derived. The AINV algorithm of Benzi, Meyer, and Tuma [SIAM J. Sci. Comp. 17, 1135 (1996)] is introduced to linear scaling electronic structure theory, and found to be essential in transformations between orthogonal and nonorthogonal representations. These methods have been developed with an atom-blocked sparse matrix algebra that achieves sustained megafloating point operations per second rates as high as 50% of theoretical, and implemented in the MondoSCF suite of linear scaling SCF programs. For the first time, linear scaling Hartree - Fock theory is demonstrated with three-dimensional systems, including water clusters and estane polymers. The nonorthogonal minimization is shown to be uncompetitive with minimization in an orthonormal representation. An early onset of linear scaling is found for both minimal and double zeta basis sets, and crossovers with a highly optimized eigensolver are achieved. Calculations with up to 6000 basis functions are reported. The scaling of errors with system size is investigated for various levels of approximation. copyright 1999 American Institute of Physics
Solution of single linear tridiagonal systems and vectorization of the ICCG algorithm on the Cray 1
International Nuclear Information System (INIS)
Kershaw, D.S.
1981-01-01
The numerical algorithms used to solve the physics equation in codes which model laser fusion are examined, it is found that a large number of subroutines require the solution of tridiagonal linear systems of equations. One dimensional radiation transport, thermal and suprathermal electron transport, ion thermal conduction, charged particle and neutron transport, all require the solution of tridiagonal systems of equations. The standard algorithm that has been used in the past on CDC 7600's will not vectorize and so cannot take advantage of the large speed increases possible on the Cray-1 through vectorization. There is however, an alternate algorithm for solving tridiagonal systems, called cyclic reduction, which allows for vectorization, and which is optimal for the Cray-1. Software based on this algorithm is now being used in LASNEX to solve tridiagonal linear systems in the subroutines mentioned above. The new algorithm runs as much as five times faster than the standard algorithm on the Cray-1. The ICCG method is being used to solve the diffusion equation with a nine-point coupling scheme on the CDC 7600. In going from the CDC 7600 to the Cray-1, a large part of the algorithm consists of solving tridiagonal linear systems on each L line of the Lagrangian mesh in a manner which is not vectorizable. An alternate ICCG algorithm for the Cray-1 was developed which utilizes a block form of the cyclic reduction algorithm. This new algorithm allows full vectorization and runs as much as five times faster than the old algorithm on the Cray-1. It is now being used in Cray LASNEX to solve the two-dimensional diffusion equation in all the physics subroutines mentioned above
Integral criteria for large-scale multiple fingerprint solutions
Ushmaev, Oleg S.; Novikov, Sergey O.
2004-08-01
We propose the definition and analysis of the optimal integral similarity score criterion for large scale multmodal civil ID systems. Firstly, the general properties of score distributions for genuine and impostor matches for different systems and input devices are investigated. The empirical statistics was taken from the real biometric tests. Then we carry out the analysis of simultaneous score distributions for a number of combined biometric tests and primary for ultiple fingerprint solutions. The explicit and approximate relations for optimal integral score, which provides the least value of the FRR while the FAR is predefined, have been obtained. The results of real multiple fingerprint test show good correspondence with the theoretical results in the wide range of the False Acceptance and the False Rejection Rates.
International Nuclear Information System (INIS)
Gene Golub; Kwok Ko
2009-01-01
The solutions of sparse eigenvalue problems and linear systems constitute one of the key computational kernels in the discretization of partial differential equations for the modeling of linear accelerators. The computational challenges faced by existing techniques for solving those sparse eigenvalue problems and linear systems call for continuing research to improve on the algorithms so that ever increasing problem size as required by the physics application can be tackled. Under the support of this award, the filter algorithm for solving large sparse eigenvalue problems was developed at Stanford to address the computational difficulties in the previous methods with the goal to enable accelerator simulations on then the world largest unclassified supercomputer at NERSC for this class of problems. Specifically, a new method, the Hemitian skew-Hemitian splitting method, was proposed and researched as an improved method for solving linear systems with non-Hermitian positive definite and semidefinite matrices.
Directory of Open Access Journals (Sweden)
Reza Ezzati
2014-08-01
Full Text Available In this paper, we propose the least square method for computing the positive solution of a non-square fully fuzzy linear system. To this end, we use Kaffman' arithmetic operations on fuzzy numbers \\cite{17}. Here, considered existence of exact solution using pseudoinverse, if they are not satisfy in positive solution condition, we will compute fuzzy vector core and then we will obtain right and left spreads of positive fuzzy vector by introducing constrained least squares problem. Using our proposed method, non-square fully fuzzy linear system of equations always has a solution. Finally, we illustrate the efficiency of proposed method by solving some numerical examples.
Quantitative Pointwise Estimate of the Solution of the Linearized Boltzmann Equation
Lin, Yu-Chu; Wang, Haitao; Wu, Kung-Chien
2018-04-01
We study the quantitative pointwise behavior of the solutions of the linearized Boltzmann equation for hard potentials, Maxwellian molecules and soft potentials, with Grad's angular cutoff assumption. More precisely, for solutions inside the finite Mach number region (time like region), we obtain the pointwise fluid structure for hard potentials and Maxwellian molecules, and optimal time decay in the fluid part and sub-exponential time decay in the non-fluid part for soft potentials. For solutions outside the finite Mach number region (space like region), we obtain sub-exponential decay in the space variable. The singular wave estimate, regularization estimate and refined weighted energy estimate play important roles in this paper. Our results extend the classical results of Liu and Yu (Commun Pure Appl Math 57:1543-1608, 2004), (Bull Inst Math Acad Sin 1:1-78, 2006), (Bull Inst Math Acad Sin 6:151-243, 2011) and Lee et al. (Commun Math Phys 269:17-37, 2007) to hard and soft potentials by imposing suitable exponential velocity weight on the initial condition.
Quantitative Pointwise Estimate of the Solution of the Linearized Boltzmann Equation
Lin, Yu-Chu; Wang, Haitao; Wu, Kung-Chien
2018-06-01
We study the quantitative pointwise behavior of the solutions of the linearized Boltzmann equation for hard potentials, Maxwellian molecules and soft potentials, with Grad's angular cutoff assumption. More precisely, for solutions inside the finite Mach number region (time like region), we obtain the pointwise fluid structure for hard potentials and Maxwellian molecules, and optimal time decay in the fluid part and sub-exponential time decay in the non-fluid part for soft potentials. For solutions outside the finite Mach number region (space like region), we obtain sub-exponential decay in the space variable. The singular wave estimate, regularization estimate and refined weighted energy estimate play important roles in this paper. Our results extend the classical results of Liu and Yu (Commun Pure Appl Math 57:1543-1608, 2004), (Bull Inst Math Acad Sin 1:1-78, 2006), (Bull Inst Math Acad Sin 6:151-243, 2011) and Lee et al. (Commun Math Phys 269:17-37, 2007) to hard and soft potentials by imposing suitable exponential velocity weight on the initial condition.
International Nuclear Information System (INIS)
Bouaziz, M.N.; Aziz, Abdul
2010-01-01
A novel concept of double optimal linearization is introduced and used to obtain a simple and accurate solution for the temperature distribution in a straight rectangular convective-radiative fin with temperature dependent thermal conductivity. The solution is built from the classical solution for a pure convection fin of constant thermal conductivity which appears in terms of hyperbolic functions. When compared with the direct numerical solution, the double optimally linearized solution is found to be accurate within 4% for a range of radiation-conduction and thermal conductivity parameters that are likely to be encountered in practice. The present solution is simple and offers superior accuracy compared with the fairly complex approximate solutions based on the homotopy perturbation method, variational iteration method, and the double series regular perturbation method. The fin efficiency expression resembles the classical result for the constant thermal conductivity convecting fin. The present results are easily usable by the practicing engineers in their thermal design and analysis work involving fins.
International Nuclear Information System (INIS)
Belmonte-Beitia, Juan; Konotop, Vladimir V.; Perez-Garcia, Victor M.; Vekslerchik, Vadym E.
2009-01-01
Using similarity transformations we construct explicit solutions of the nonlinear Schroedinger equation with linear and nonlinear periodic potentials. We present explicit forms of spatially localized and periodic solutions, and study their properties. We put our results in the framework of the exploited perturbation techniques and discuss their implications on the properties of associated linear periodic potentials and on the possibilities of stabilization of gap solitons using polychromatic lattices.
Hardy inequality on time scales and its application to half-linear dynamic equations
Directory of Open Access Journals (Sweden)
Řehák Pavel
2005-01-01
Full Text Available A time-scale version of the Hardy inequality is presented, which unifies and extends well-known Hardy inequalities in the continuous and in the discrete setting. An application in the oscillation theory of half-linear dynamic equations is given.
Directory of Open Access Journals (Sweden)
Dongxu Ren
2016-04-01
Full Text Available A multi-repeated photolithography method for manufacturing an incremental linear scale using projection lithography is presented. The method is based on the average homogenization effect that periodically superposes the light intensity of different locations of pitches in the mask to make a consistent energy distribution at a specific wavelength, from which the accuracy of a linear scale can be improved precisely using the average pitch with different step distances. The method’s theoretical error is within 0.01 µm for a periodic mask with a 2-µm sine-wave error. The intensity error models in the focal plane include the rectangular grating error on the mask, static positioning error, and lithography lens focal plane alignment error, which affect pitch uniformity less than in the common linear scale projection lithography splicing process. It was analyzed and confirmed that increasing the repeat exposure number of a single stripe could improve accuracy, as could adjusting the exposure spacing to achieve a set proportion of black and white stripes. According to the experimental results, the effectiveness of the multi-repeated photolithography method is confirmed to easily realize a pitch accuracy of 43 nm in any 10 locations of 1 m, and the whole length accuracy of the linear scale is less than 1 µm/m.
Scale of association: hierarchical linear models and the measurement of ecological systems
Sean M. McMahon; Jeffrey M. Diez
2007-01-01
A fundamental challenge to understanding patterns in ecological systems lies in employing methods that can analyse, test and draw inference from measured associations between variables across scales. Hierarchical linear models (HLM) use advanced estimation algorithms to measure regression relationships and variance-covariance parameters in hierarchically structured...
On the existence of tunneling bounce solutions in piecewise linear potentials
Energy Technology Data Exchange (ETDEWEB)
Dutta, Koushik; Hector, Cecelie; Konstandin, Thomas; Vaudrevange, Pascal M.; Westphal, Alexander
2012-02-15
Coleman tunneling in a general scalar potential with two non-degenerate minima is known to have an approximation in terms of a piecewise linear triangular-shaped potential with sharp 'kinks' at the place of the local minima. This approximate potential has a regime where the existence of the bounce solution needs the scalar field to 'wait' for some amount of Euclidean time at one of the 'kinks'. We discuss under which circumstances the correct bounce action can be consistently obtained as the limiting case of a regular scalar potential where 'kinks' are resolved as locally smooth 'cap' regions. (orig.)
Non-linear dynamics of the passivity breakdown of iron in acidic solutions
Sazou, D
2003-01-01
Breakdown of the iron passivity in acid solutions accompanied by current oscillations was investigated by using electrochemical techniques, which reveal the non-linear dynamical response of the system in the current-potential (I-E) and current-time (I-t) planes. Current oscillations of the Fe-electrolyte electrochemical system were studied in the (a) absence and (b) presence of chlorides. In case (a) two oscillatory regions were distinguished; one at low potentials associated with the formation-dissolution of a ferrous salt and another at higher potentials associated with the formation-breakdown of the oxide film. Chaotic oscillations appear in the former region whereas periodic oscillations of a relaxation type appear in the latter region. In case (b), complex periodic and aperiodic oscillations are induced by small amounts of chlorides due to pitting corrosion. Pitting corrosion is a multistage localized process of a great technological importance. It consists of a local breakdown of the passive oxide film ...
Directory of Open Access Journals (Sweden)
T. H. S. Abdelaziz
2005-01-01
Full Text Available In this paper we introduce a complete parametric approach for solving the problem of eigenstructure assignment via state-derivative feedback for linear systems. This problem is always solvable for any controllable systems iff the open-loop system matrix is nonsingular. In this work, two parametric solutions to the feedback gain matrix are introduced that describe the available degrees of freedom offered by the state-derivative feedback in selecting the associated eigenvectors from an admissible class. These freedoms can be utilized to improve robustness of the closed-loop system. Accordingly, the sensitivity of the assigned eigenvalues to perturbations in the system and gain matrix is minimized. Numerical examples are included to show the effectiveness of the proposed approach.
DEFF Research Database (Denmark)
Köyluoglu, H.U.; Nielsen, Søren R.K.; Cakmak, A.S.
1994-01-01
perturbation method using stochastic differential equations. The joint statistical moments entering the perturbation solution are determined by considering an augmented dynamic system with state variables made up of the displacement and velocity vector and their first and second derivatives with respect......The paper deals with the first and second order statistical moments of the response of linear systems with random parameters subject to random excitation modelled as white-noise multiplied by an envelope function with random parameters. The method of analysis is basically a second order...... to the random parameters of the problem. Equations for partial derivatives are obtained from the partial differentiation of the equations of motion. The zero time-lag joint statistical moment equations for the augmented state vector are derived from the Itô differential formula. General formulation is given...
Linear arrangement of nano-scale magnetic particles formed in Cu-Fe-Ni alloys
Energy Technology Data Exchange (ETDEWEB)
Kang, Sung, E-mail: k3201s@hotmail.co [Department of Materials Engineering (SEISAN), Yokohama National University, 79-5 Tokiwadai, Hodogayaku, Yokohama, 240-8501 (Japan); Takeda, Mahoto [Department of Materials Engineering (SEISAN), Yokohama National University, 79-5 Tokiwadai, Hodogayaku, Yokohama, 240-8501 (Japan); Takeguchi, Masaki [Advanced Electron Microscopy Group, National Institute for Materials Science (NIMS), Sakura 3-13, Tsukuba, 305-0047 (Japan); Bae, Dong-Sik [School of Nano and Advanced Materials Engineering, Changwon National University, Gyeongnam, 641-773 (Korea, Republic of)
2010-04-30
The structural evolution of nano-scale magnetic particles formed in Cu-Fe-Ni alloys on isothermal annealing at 878 K has been investigated by means of transmission electron microscopy (TEM), electron dispersive X-ray spectroscopy (EDS), electron energy-loss spectroscopy (EELS) and field-emission scanning electron microscopy (FE-SEM). Phase decomposition of Cu-Fe-Ni occurred after an as-quenched specimen received a short anneal, and nano-scale magnetic particles were formed randomly in the Cu-rich matrix. A striking feature that two or more nano-scale particles with a cubic shape were aligned linearly along <1,0,0> directions was observed, and the trend was more pronounced at later stages of the precipitation. Large numbers of <1,0,0> linear chains of precipitates extended in three dimensions in late stages of annealing.
Linear-scaling evaluation of the local energy in quantum Monte Carlo
International Nuclear Information System (INIS)
Austin, Brian; Aspuru-Guzik, Alan; Salomon-Ferrer, Romelia; Lester, William A. Jr.
2006-01-01
For atomic and molecular quantum Monte Carlo calculations, most of the computational effort is spent in the evaluation of the local energy. We describe a scheme for reducing the computational cost of the evaluation of the Slater determinants and correlation function for the correlated molecular orbital (CMO) ansatz. A sparse representation of the Slater determinants makes possible efficient evaluation of molecular orbitals. A modification to the scaled distance function facilitates a linear scaling implementation of the Schmidt-Moskowitz-Boys-Handy (SMBH) correlation function that preserves the efficient matrix multiplication structure of the SMBH function. For the evaluation of the local energy, these two methods lead to asymptotic linear scaling with respect to the molecule size
A linear complementarity method for the solution of vertical vehicle-track interaction
Zhang, Jian; Gao, Qiang; Wu, Feng; Zhong, Wan-Xie
2018-02-01
A new method is proposed for the solution of the vertical vehicle-track interaction including a separation between wheel and rail. The vehicle is modelled as a multi-body system using rigid bodies, and the track is treated as a three-layer beam model in which the rail is considered as an Euler-Bernoulli beam and both the sleepers and the ballast are represented by lumped masses. A linear complementarity formulation is directly established using a combination of the wheel-rail normal contact condition and the generalised-α method. This linear complementarity problem is solved using the Lemke algorithm, and the wheel-rail contact force can be obtained. Then the dynamic responses of the vehicle and the track are solved without iteration based on the generalised-α method. The same equations of motion for the vehicle and track are adopted at the different wheel-rail contact situations. This method can remove some restrictions, that is, time-dependent mass, damping and stiffness matrices of the coupled system, multiple equations of motion for the different contact situations and the effect of the contact stiffness. Numerical results demonstrate that the proposed method is effective for simulating the vehicle-track interaction including a separation between wheel and rail.
Three-point phase correlations: A new measure of non-linear large-scale structure
Wolstenhulme, Richard; Obreschkow, Danail
2015-01-01
We derive an analytical expression for a novel large-scale structure observable: the line correlation function. The line correlation function, which is constructed from the three-point correlation function of the phase of the density field, is a robust statistical measure allowing the extraction of information in the non-linear and non-Gaussian regime. We show that, in perturbation theory, the line correlation is sensitive to the coupling kernel F_2, which governs the non-linear gravitational evolution of the density field. We compare our analytical expression with results from numerical simulations and find a very good agreement for separations r>20 Mpc/h. Fitting formulae for the power spectrum and the non-linear coupling kernel at small scales allow us to extend our prediction into the strongly non-linear regime. We discuss the advantages of the line correlation relative to standard statistical measures like the bispectrum. Unlike the latter, the line correlation is independent of the linear bias. Furtherm...
On the interaction of small-scale linear waves with nonlinear solitary waves
Xu, Chengzhu; Stastna, Marek
2017-04-01
In the study of environmental and geophysical fluid flows, linear wave theory is well developed and its application has been considered for phenomena of various length and time scales. However, due to the nonlinear nature of fluid flows, in many cases results predicted by linear theory do not agree with observations. One of such cases is internal wave dynamics. While small-amplitude wave motion may be approximated by linear theory, large amplitude waves tend to be solitary-like. In some cases, when the wave is highly nonlinear, even weakly nonlinear theories fail to predict the wave properties correctly. We study the interaction of small-scale linear waves with nonlinear solitary waves using highly accurate pseudo spectral simulations that begin with a fully nonlinear solitary wave and a train of small-amplitude waves initialized from linear waves. The solitary wave then interacts with the linear waves through either an overtaking collision or a head-on collision. During the collision, there is a net energy transfer from the linear wave train to the solitary wave, resulting in an increase in the kinetic energy carried by the solitary wave and a phase shift of the solitary wave with respect to a freely propagating solitary wave. At the same time the linear waves are greatly reduced in amplitude. The percentage of energy transferred depends primarily on the wavelength of the linear waves. We found that after one full collision cycle, the longest waves may retain as much as 90% of the kinetic energy they had initially, while the shortest waves lose almost all of their initial energy. We also found that a head-on collision is more efficient in destroying the linear waves than an overtaking collision. On the other hand, the initial amplitude of the linear waves has very little impact on the percentage of energy that can be transferred to the solitary wave. Because of the nonlinearity of the solitary wave, these results provide us some insight into wave-mean flow
Interpolation problem for the solutions of linear elasticity equations based on monogenic functions
Grigor'ev, Yuri; Gürlebeck, Klaus; Legatiuk, Dmitrii
2017-11-01
Interpolation is an important tool for many practical applications, and very often it is beneficial to interpolate not only with a simple basis system, but rather with solutions of a certain differential equation, e.g. elasticity equation. A typical example for such type of interpolation are collocation methods widely used in practice. It is known, that interpolation theory is fully developed in the framework of the classical complex analysis. However, in quaternionic analysis, which shows a lot of analogies to complex analysis, the situation is more complicated due to the non-commutative multiplication. Thus, a fundamental theorem of algebra is not available, and standard tools from linear algebra cannot be applied in the usual way. To overcome these problems, a special system of monogenic polynomials the so-called Pseudo Complex Polynomials, sharing some properties of complex powers, is used. In this paper, we present an approach to deal with the interpolation problem, where solutions of elasticity equations in three dimensions are used as an interpolation basis.
Solution to the Diffusion equation for multi groups in X Y geometry using Linear Perturbation theory
International Nuclear Information System (INIS)
Mugica R, C.A.
2004-01-01
Diverse methods exist to solve numerically the neutron diffusion equation for several energy groups in stationary state among those that highlight those of finite elements. In this work the numerical solution of this equation is presented using Raviart-Thomas nodal methods type finite element, the RT0 and RT1, in combination with iterative techniques that allow to obtain the approached solution in a quick form. Nevertheless the above mentioned, the precision of a method is intimately bound to the dimension of the approach space by cell, 5 for the case RT0 and 12 for the RT1, and/or to the mesh refinement, that makes the order of the problem of own value to solve to grow considerably. By this way if it wants to know an acceptable approach to the value of the effective multiplication factor of the system when this it has experimented a small perturbation it was appeal to the Linear perturbation theory with which is possible to determine it starting from the neutron flow and of the effective multiplication factor of the not perturbed case. Results are presented for a reference problem in which a perturbation is introduced in an assemble that simulates changes in the control bar. (Author)
Ladiges, Daniel R.; Sader, John E.
2018-05-01
Nanomechanical resonators and sensors, operated in ambient conditions, often generate low-Mach-number oscillating rarefied gas flows. Cercignani [C. Cercignani, J. Stat. Phys. 1, 297 (1969), 10.1007/BF01007482] proposed a variational principle for the linearized Boltzmann equation, which can be used to derive approximate analytical solutions of steady (time-independent) flows. Here we extend and generalize this principle to unsteady oscillatory rarefied flows and thus accommodate resonating nanomechanical devices. This includes a mathematical approach that facilitates its general use and allows for systematic improvements in accuracy. This formulation is demonstrated for two canonical flow problems: oscillatory Couette flow and Stokes' second problem. Approximate analytical formulas giving the bulk velocity and shear stress, valid for arbitrary oscillation frequency, are obtained for Couette flow. For Stokes' second problem, a simple system of ordinary differential equations is derived which may be solved to obtain the desired flow fields. Using this framework, a simple and accurate formula is provided for the shear stress at the oscillating boundary, again for arbitrary frequency, which may prove useful in application. These solutions are easily implemented on any symbolic or numerical package, such as Mathematica or matlab, facilitating the characterization of flows produced by nanomechanical devices and providing insight into the underlying flow physics.
Directory of Open Access Journals (Sweden)
Luo Li-Qin
2016-01-01
Full Text Available In this paper, we investigate the value distribution of meromorphic solutions of homogeneous and non-homogeneous complex linear differential-difference equations, and obtain the results on the relations between the order of the solutions and the convergence exponents of the zeros, poles, a-points and small function value points of the solutions, which show the relations in the case of non-homogeneous equations are sharper than the ones in the case of homogeneous equations.
Error analysis of dimensionless scaling experiments with multiple points using linear regression
International Nuclear Information System (INIS)
Guercan, Oe.D.; Vermare, L.; Hennequin, P.; Bourdelle, C.
2010-01-01
A general method of error estimation in the case of multiple point dimensionless scaling experiments, using linear regression and standard error propagation, is proposed. The method reduces to the previous result of Cordey (2009 Nucl. Fusion 49 052001) in the case of a two-point scan. On the other hand, if the points follow a linear trend, it explains how the estimated error decreases as more points are added to the scan. Based on the analytical expression that is derived, it is argued that for a low number of points, adding points to the ends of the scanned range, rather than the middle, results in a smaller error estimate. (letter)
Song, Hyun-Seob; Goldberg, Noam; Mahajan, Ashutosh; Ramkrishna, Doraiswami
2017-08-01
Elementary (flux) modes (EMs) have served as a valuable tool for investigating structural and functional properties of metabolic networks. Identification of the full set of EMs in genome-scale networks remains challenging due to combinatorial explosion of EMs in complex networks. It is often, however, that only a small subset of relevant EMs needs to be known, for which optimization-based sequential computation is a useful alternative. Most of the currently available methods along this line are based on the iterative use of mixed integer linear programming (MILP), the effectiveness of which significantly deteriorates as the number of iterations builds up. To alleviate the computational burden associated with the MILP implementation, we here present a novel optimization algorithm termed alternate integer linear programming (AILP). Our algorithm was designed to iteratively solve a pair of integer programming (IP) and linear programming (LP) to compute EMs in a sequential manner. In each step, the IP identifies a minimal subset of reactions, the deletion of which disables all previously identified EMs. Thus, a subsequent LP solution subject to this reaction deletion constraint becomes a distinct EM. In cases where no feasible LP solution is available, IP-derived reaction deletion sets represent minimal cut sets (MCSs). Despite the additional computation of MCSs, AILP achieved significant time reduction in computing EMs by orders of magnitude. The proposed AILP algorithm not only offers a computational advantage in the EM analysis of genome-scale networks, but also improves the understanding of the linkage between EMs and MCSs. The software is implemented in Matlab, and is provided as supplementary information . hyunseob.song@pnnl.gov. Supplementary data are available at Bioinformatics online. Published by Oxford University Press 2017. This work is written by US Government employees and are in the public domain in the US.
The fastclime Package for Linear Programming and Large-Scale Precision Matrix Estimation in R.
Pang, Haotian; Liu, Han; Vanderbei, Robert
2014-02-01
We develop an R package fastclime for solving a family of regularized linear programming (LP) problems. Our package efficiently implements the parametric simplex algorithm, which provides a scalable and sophisticated tool for solving large-scale linear programs. As an illustrative example, one use of our LP solver is to implement an important sparse precision matrix estimation method called CLIME (Constrained L 1 Minimization Estimator). Compared with existing packages for this problem such as clime and flare, our package has three advantages: (1) it efficiently calculates the full piecewise-linear regularization path; (2) it provides an accurate dual certificate as stopping criterion; (3) it is completely coded in C and is highly portable. This package is designed to be useful to statisticians and machine learning researchers for solving a wide range of problems.
Dual linear structured support vector machine tracking method via scale correlation filter
Li, Weisheng; Chen, Yanquan; Xiao, Bin; Feng, Chen
2018-01-01
Adaptive tracking-by-detection methods based on structured support vector machine (SVM) performed well on recent visual tracking benchmarks. However, these methods did not adopt an effective strategy of object scale estimation, which limits the overall tracking performance. We present a tracking method based on a dual linear structured support vector machine (DLSSVM) with a discriminative scale correlation filter. The collaborative tracker comprised of a DLSSVM model and a scale correlation filter obtains good results in tracking target position and scale estimation. The fast Fourier transform is applied for detection. Extensive experiments show that our tracking approach outperforms many popular top-ranking trackers. On a benchmark including 100 challenging video sequences, the average precision of the proposed method is 82.8%.
Self-consistent field theory based molecular dynamics with linear system-size scaling
Energy Technology Data Exchange (ETDEWEB)
Richters, Dorothee [Institute of Mathematics and Center for Computational Sciences, Johannes Gutenberg University Mainz, Staudinger Weg 9, D-55128 Mainz (Germany); Kühne, Thomas D., E-mail: kuehne@uni-mainz.de [Institute of Physical Chemistry and Center for Computational Sciences, Johannes Gutenberg University Mainz, Staudinger Weg 7, D-55128 Mainz (Germany); Technical and Macromolecular Chemistry, University of Paderborn, Warburger Str. 100, D-33098 Paderborn (Germany)
2014-04-07
We present an improved field-theoretic approach to the grand-canonical potential suitable for linear scaling molecular dynamics simulations using forces from self-consistent electronic structure calculations. It is based on an exact decomposition of the grand canonical potential for independent fermions and does neither rely on the ability to localize the orbitals nor that the Hamilton operator is well-conditioned. Hence, this scheme enables highly accurate all-electron linear scaling calculations even for metallic systems. The inherent energy drift of Born-Oppenheimer molecular dynamics simulations, arising from an incomplete convergence of the self-consistent field cycle, is circumvented by means of a properly modified Langevin equation. The predictive power of the present approach is illustrated using the example of liquid methane under extreme conditions.
DEFF Research Database (Denmark)
Wu, Xiaocui; Ju, Weimin; Zhou, Yanlian
2015-01-01
The reliable simulation of gross primary productivity (GPP) at various spatial and temporal scales is of significance to quantifying the net exchange of carbon between terrestrial ecosystems and the atmosphere. This study aimed to verify the ability of a nonlinear two-leaf model (TL-LUEn), a linear...... two-leaf model (TL-LUE), and a big-leaf light use efficiency model (MOD17) to simulate GPP at half-hourly, daily and 8-day scales using GPP derived from 58 eddy-covariance flux sites in Asia, Europe and North America as benchmarks. Model evaluation showed that the overall performance of TL...
ONETEP: linear-scaling density-functional theory with plane-waves
International Nuclear Information System (INIS)
Haynes, P D; Mostof, A A; Skylaris, C-K; Payne, M C
2006-01-01
This paper provides a general overview of the methodology implemented in onetep (Order-N Electronic Total Energy Package), a parallel density-functional theory code for largescale first-principles quantum-mechanical calculations. The distinctive features of onetep are linear-scaling in both computational effort and resources, obtained by making well-controlled approximations which enable simulations to be performed with plane-wave accuracy. Titanium dioxide clusters of increasing size designed to mimic surfaces are studied to demonstrate the accuracy and scaling of onetep
Energy Technology Data Exchange (ETDEWEB)
Fuentes, Carlos [Instituto Mexicano de Tecnologia del Agua, Jiutepec, Morelos (Mexico); Parlangue, Jean-Yves [Departamento de Agricultura e Ingenieria Biologica (United States); Haverkamp, Randel; Vauclin, Michael [Laboratorio de Estudio de las Transferencias en Hidrologia y Medio ambiente (France)
2001-12-01
The exact solution of the one-dimensional vertical infiltration equation is deducted, when the hydraulic diffusivity is considered constant and the hydraulic conductivity is a combination of both a linear and quadratic functions of the soil water content. This quasi-linear solution includes as particular cases, both the classical solution known as linear soil and the Knight solution. The cumulative infiltrated water as a function of time provided by the quasi-linear solution has been compared with the cumulative infiltrated water obtained from the numerical solution of the Richards equation on three different soils of contrasting hydrodynamic properties. The good agreement between the two solutions has shown that the quasi-linear solution can be used on soils where the accepted hypothesis, on hydraulic diffusivity and hydraulic conductivity, for its deduction is not satisfied. [Spanish] Se deduce la solucion exacta de la ecuacion de la infiltracion unidimensional vertical cuando la difusividad hidraulica es considerada constante y la conductividad hidraulica es una combinacion de una funcion lineal y una cuadratica del contenido volumetrico de agua. Esta solucion cuasi-lineal de la infiltracion contiene, como casos particulares, la solucion clasica conocida como suelo lineal y la solucion de Knight. La lamina infiltrada acumulada en funcion del tiempo proporcionada por la solucion cuasi-lineal se ha comparado con la lamina infiltrada proporcionada por la solucion numerica de la ecuacion de Richards en tres suelos de propiedades hidrodinamicas contrastantes. El buen acuerdo entre las laminas infiltradas ha mostrado que la solucion cuasi-lineal puede utilizarse en suelos donde la difusividad y la conductividad hidraulicas no satisfacen los supuestos de la deduccion.
Exact scaling solutions in normal and Brans-Dicke models of dark energy
International Nuclear Information System (INIS)
Arias, Olga; Gonzalez, Tame; Leyva, Yoelsy; Quiros, Israel
2003-01-01
A linear relationship between the Hubble expansion parameter and the time derivative of the scalar field is explored in order to derive exact cosmological, attractor-like solutions, both in Einstein's theory and in Brans-Dicke gravity with two fluids: a background fluid of ordinary matter and a self-interacting scalar-field fluid accounting for the dark energy in the universe. A priori assumptions about the functional form of the self-interaction potential or about the scale factor behaviour are not necessary. These are obtained as outputs of the assumed relationship between the Hubble parameter and the time derivative of the scalar field. A parametric class of scaling quintessence models given by a self-interaction potential of a peculiar form, a combination of exponentials with dependence on the barotropic index of the background fluid, arises. Both normal quintessence described by a self-interacting scalar field minimally coupled to gravity and Brans-Dicke quintessence given by a non-minimally coupled scalar field are then analysed and the relevance of these models for the description of the cosmic evolution is discussed in some detail. The stability of these solutions is also briefly commented on
Directory of Open Access Journals (Sweden)
Chun-Fu Chen
2014-03-01
Full Text Available Linear analytical study on the mechanical sensitivity in large deflection of unsymmetrically layered and laterally loaded piezoelectric plate under pretension is conducted. von Karman plate theory for large deflection is utilized but extended to the case of an unsymmetrically layered plate embedded with a piezoelectric layer. The governing equations thus obtained are simplified by omitting the arising nonlinear terms, yielding a Bessel or modified Bessel equation for the lateral slope. Depending on the relative magnitude of the piezoelectric effect, for both cases, analytical solutions of various geometrical responses are developed and formulated via Bessel and modified Bessel functions. The associated ultimate radial stresses are further derived following lamina constitutive law to evaluate the mechanical sensitivity of the considered plate. For a nearly monolithic plate under a very low applied voltage, the results are in good agreement with those for a single-layered case due to pure mechanical load available in literature, and thus the present approach is checked. For a two-layered unsymmetric plate made of typical silicon-based materials, a sound piezoelectric effect is illustrated particularly in a low pretension condition.
Lattice cluster theory of associating polymers. I. Solutions of linear telechelic polymer chains.
Dudowicz, Jacek; Freed, Karl F
2012-02-14
The lattice cluster theory (LCT) for the thermodynamics of a wide array of polymer systems has been developed by using an analogy to Mayer's virial expansions for non-ideal gases. However, the high-temperature expansion inherent to the LCT has heretofore precluded its application to systems exhibiting strong, specific "sticky" interactions. The present paper describes a reformulation of the LCT necessary to treat systems with both weak and strong, "sticky" interactions. This initial study concerns solutions of linear telechelic chains (with stickers at the chain ends) as the self-assembling system. The main idea behind this extension of the LCT lies in the extraction of terms associated with the strong interactions from the cluster expansion. The generalized LCT for sticky systems reduces to the quasi-chemical theory of hydrogen bonding of Panyioutou and Sanchez when correlation corrections are neglected in the LCT. A diagrammatic representation is employed to facilitate the evaluation of the corrections to the zeroth-order approximation from short range correlations. © 2012 American Institute of Physics
Adding salt to a surfactant solution: Linear rheological response of the resulting morphologies
Energy Technology Data Exchange (ETDEWEB)
Gaudino, Danila; Pasquino, Rossana, E-mail: r.pasquino@unina.it; Grizzuti, Nino [DICMaPI, Università degli Studi di Napoli Federico II, P.le Tecchio 80, 80125 Napoli (Italy)
2015-11-15
The micellar system composed of Cetylpyridinium Chloride-Sodium Salicylate (CPyCl-NaSal) in brine aqueous solutions has been studied by systematically changing the salt concentration, in order to investigate the rheology of the arising morphologies. In particular, the zero-shear viscosity and the linear viscoelastic response have been measured as a function of the NaSal concentration (with [CPyCl] = 100 mM). The Newtonian viscosity shows a nonmonotonic dependence upon concentration, passing through a maximum at NaSal/CPyCl ≈ 0.6, and eventually dropping at higher salt concentrations. The progressive addition of salt determines first a transition from a Newtonian to a purely Maxwell-like behavior as the length of the micelles significantly increases. Beyond the peak viscosity, the viscoelastic data show two distinct features. On the one hand, the main relaxation time of the system strongly decreases, while the plateau modulus remains essentially constant. Calculations based on the rheological data show that, as the binding salt concentration increases, there is a decrease in micelles breaking rate and a decrease in their average length. On the other hand, in the same concentration region, a low-frequency elastic plateau is measured. Such a plateau is considered as the signature of a tenuous, but persistent branched network, whose existence is confirmed by cryo-transmission electron microscopy images.
Scaling Behavior of Dendritic Nanoparticle Mobility in Semidilute Polymer Solutions
Kort, de D.W.; Rombouts, W.H.; Hoeben, F.J.M.; Janssen, H.M.; As, van H.; Duynhoven, van J.P.M.
2015-01-01
In our studies on particle mobility in polymer solutions, we have investigated and determined self-diffusion coefficients of nanoparticles in semidilute solutions of poly(ethylene glycol) (PEG, Mw = 6, 20, 35, and 100 kDa). Specially designed PEGylated dendrimers with well-defined sizes (dh =
Directory of Open Access Journals (Sweden)
Sukhpreet Kaur Sidhu
2014-01-01
Full Text Available The drawbacks of the existing methods to obtain the fuzzy optimal solution of such linear programming problems, in which coefficients of the constraints are represented by real numbers and all the other parameters as well as variables are represented by symmetric trapezoidal fuzzy numbers, are pointed out, and to resolve these drawbacks, a new method (named as Mehar method is proposed for the same linear programming problems. Also, with the help of proposed Mehar method, a new method, much easy as compared to the existing methods, is proposed to deal with the sensitivity analysis of the same type of linear programming problems.
International Nuclear Information System (INIS)
Fernandes, L.; Friedlander, A.; Guedes, M.; Judice, J.
2001-01-01
This paper addresses a General Linear Complementarity Problem (GLCP) that has found applications in global optimization. It is shown that a solution of the GLCP can be computed by finding a stationary point of a differentiable function over a set defined by simple bounds on the variables. The application of this result to the solution of bilinear programs and LCPs is discussed. Some computational evidence of its usefulness is included in the last part of the paper
Tunç, Cemil; Tunç, Osman
2016-01-01
In this paper, certain system of linear homogeneous differential equations of second-order is considered. By using integral inequalities, some new criteria for bounded and [Formula: see text]-solutions, upper bounds for values of improper integrals of the solutions and their derivatives are established to the considered system. The obtained results in this paper are considered as extension to the results obtained by Kroopnick (2014) [1]. An example is given to illustrate the obtained results.
International Nuclear Information System (INIS)
Anastassi, Z. A.; Simos, T. E.
2010-01-01
We develop a new family of explicit symmetric linear multistep methods for the efficient numerical solution of the Schroedinger equation and related problems with oscillatory solution. The new methods are trigonometrically fitted and have improved intervals of periodicity as compared to the corresponding classical method with constant coefficients and other methods from the literature. We also apply the methods along with other known methods to real periodic problems, in order to measure their efficiency.
LINPACK, Subroutine Library for Linear Equation System Solution and Matrix Calculation
International Nuclear Information System (INIS)
Dongarra, J.J.
1979-01-01
: CO, SL; SGT: SL; SPT: SL; SCH: DC, UD, DD, EX; SQR: SL, DC; SSV: DC. The LINPACK package also includes a set of routines to perform basic vector operations called the Basic Linear Algebra Subprograms (BLAS). 2 - Method of solution: Gaussian elimination, Cholesky decomposition, QR, and singular value decomposition methods are used. 3 - Restrictions on the complexity of the problem: There are no subroutines for general sparse matrices or for iterative methods for very large problems
On Feature Extraction from Large Scale Linear LiDAR Data
Acharjee, Partha Pratim
Airborne light detection and ranging (LiDAR) can generate co-registered elevation and intensity map over large terrain. The co-registered 3D map and intensity information can be used efficiently for different feature extraction application. In this dissertation, we developed two algorithms for feature extraction, and usages of features for practical applications. One of the developed algorithms can map still and flowing waterbody features, and another one can extract building feature and estimate solar potential on rooftops and facades. Remote sensing capabilities, distinguishing characteristics of laser returns from water surface and specific data collection procedures provide LiDAR data an edge in this application domain. Furthermore, water surface mapping solutions must work on extremely large datasets, from a thousand square miles, to hundreds of thousands of square miles. National and state-wide map generation/upgradation and hydro-flattening of LiDAR data for many other applications are two leading needs of water surface mapping. These call for as much automation as possible. Researchers have developed many semi-automated algorithms using multiple semi-automated tools and human interventions. This reported work describes a consolidated algorithm and toolbox developed for large scale, automated water surface mapping. Geometric features such as flatness of water surface, higher elevation change in water-land interface and, optical properties such as dropouts caused by specular reflection, bimodal intensity distributions were some of the linear LiDAR features exploited for water surface mapping. Large-scale data handling capabilities are incorporated by automated and intelligent windowing, by resolving boundary issues and integrating all results to a single output. This whole algorithm is developed as an ArcGIS toolbox using Python libraries. Testing and validation are performed on a large datasets to determine the effectiveness of the toolbox and results are
Linear-scaling implementation of the direct random-phase approximation
International Nuclear Information System (INIS)
Kállay, Mihály
2015-01-01
We report the linear-scaling implementation of the direct random-phase approximation (dRPA) for closed-shell molecular systems. As a bonus, linear-scaling algorithms are also presented for the second-order screened exchange extension of dRPA as well as for the second-order Møller–Plesset (MP2) method and its spin-scaled variants. Our approach is based on an incremental scheme which is an extension of our previous local correlation method [Rolik et al., J. Chem. Phys. 139, 094105 (2013)]. The approach extensively uses local natural orbitals to reduce the size of the molecular orbital basis of local correlation domains. In addition, we also demonstrate that using natural auxiliary functions [M. Kállay, J. Chem. Phys. 141, 244113 (2014)], the size of the auxiliary basis of the domains and thus that of the three-center Coulomb integral lists can be reduced by an order of magnitude, which results in significant savings in computation time. The new approach is validated by extensive test calculations for energies and energy differences. Our benchmark calculations also demonstrate that the new method enables dRPA calculations for molecules with more than 1000 atoms and 10 000 basis functions on a single processor
Mercier, Sylvain; Gratton, Serge; Tardieu, Nicolas; Vasseur, Xavier
2017-12-01
Many applications in structural mechanics require the numerical solution of sequences of linear systems typically issued from a finite element discretization of the governing equations on fine meshes. The method of Lagrange multipliers is often used to take into account mechanical constraints. The resulting matrices then exhibit a saddle point structure and the iterative solution of such preconditioned linear systems is considered as challenging. A popular strategy is then to combine preconditioning and deflation to yield an efficient method. We propose an alternative that is applicable to the general case and not only to matrices with a saddle point structure. In this approach, we consider to update an existing algebraic or application-based preconditioner, using specific available information exploiting the knowledge of an approximate invariant subspace or of matrix-vector products. The resulting preconditioner has the form of a limited memory quasi-Newton matrix and requires a small number of linearly independent vectors. Numerical experiments performed on three large-scale applications in elasticity highlight the relevance of the new approach. We show that the proposed method outperforms the deflation method when considering sequences of linear systems with varying matrices.
Universal Linear Scaling of Permeability and Time for Heterogeneous Fracture Dissolution
Wang, L.; Cardenas, M. B.
2017-12-01
Fractures are dynamically changing over geological time scale due to mechanical deformation and chemical reactions. However, the latter mechanism remains poorly understood with respect to the expanding fracture, which leads to a positively coupled flow and reactive transport processes, i.e., as a fracture expands, so does its permeability (k) and thus flow and reactive transport processes. To unravel this coupling, we consider a self-enhancing process that leads to fracture expansion caused by acidic fluid, i.e., CO2-saturated brine dissolving calcite fracture. We rigorously derive a theory, for the first time, showing that fracture permeability increases linearly with time [Wang and Cardenas, 2017]. To validate this theory, we resort to the direct simulation that solves the Navier-Stokes and Advection-Diffusion equations with a moving mesh according to the dynamic dissolution process in two-dimensional (2D) fractures. We find that k slowly increases first until the dissolution front breakthrough the outbound when we observe a rapid k increase, i.e., the linear time-dependence of k occurs. The theory agrees well with numerical observations across a broad range of Peclet and Damkohler numbers through homogeneous and heterogeneous 2D fractures. Moreover, the theory of linear scaling relationship between k and time matches well with experimental observations of three-dimensional (3D) fractures' dissolution. To further attest to our theory's universality for 3D heterogeneous fractures across a broad range of roughness and correlation length of aperture field, we develop a depth-averaged model that simulates the process-based reactive transport. The simulation results show that, regardless of a wide variety of dissolution patterns such as the presence of dissolution fingers and preferential dissolution paths, the linear scaling relationship between k and time holds. Our theory sheds light on predicting permeability evolution in many geological settings when the self
Graf, Daniel; Beuerle, Matthias; Schurkus, Henry F; Luenser, Arne; Savasci, Gökcen; Ochsenfeld, Christian
2018-05-08
An efficient algorithm for calculating the random phase approximation (RPA) correlation energy is presented that is as accurate as the canonical molecular orbital resolution-of-the-identity RPA (RI-RPA) with the important advantage of an effective linear-scaling behavior (instead of quartic) for large systems due to a formulation in the local atomic orbital space. The high accuracy is achieved by utilizing optimized minimax integration schemes and the local Coulomb metric attenuated by the complementary error function for the RI approximation. The memory bottleneck of former atomic orbital (AO)-RI-RPA implementations ( Schurkus, H. F.; Ochsenfeld, C. J. Chem. Phys. 2016 , 144 , 031101 and Luenser, A.; Schurkus, H. F.; Ochsenfeld, C. J. Chem. Theory Comput. 2017 , 13 , 1647 - 1655 ) is addressed by precontraction of the large 3-center integral matrix with the Cholesky factors of the ground state density reducing the memory requirements of that matrix by a factor of [Formula: see text]. Furthermore, we present a parallel implementation of our method, which not only leads to faster RPA correlation energy calculations but also to a scalable decrease in memory requirements, opening the door for investigations of large molecules even on small- to medium-sized computing clusters. Although it is known that AO methods are highly efficient for extended systems, where sparsity allows for reaching the linear-scaling regime, we show that our work also extends the applicability when considering highly delocalized systems for which no linear scaling can be achieved. As an example, the interlayer distance of two covalent organic framework pore fragments (comprising 384 atoms in total) is analyzed.
Naganthran, Kohilavani; Nazar, Roslinda; Pop, Ioan
2018-05-01
This study investigated the influence of the non-linearly stretching/shrinking sheet on the boundary layer flow and heat transfer. A proper similarity transformation simplified the system of partial differential equations into a system of ordinary differential equations. This system of similarity equations is then solved numerically by using the bvp4c function in the MATLAB software. The generated numerical results presented graphically and discussed in the relevance of the governing parameters. Dual solutions found as the sheet stretched and shrunk in the horizontal direction. Stability analysis showed that the first solution is physically realizable whereas the second solution is not practicable.
Energy Technology Data Exchange (ETDEWEB)
Nygaard, K
1967-12-15
The numerical deconvolution of spectra is equivalent to the solution of a (large) system of linear equations with a matrix which is not necessarily a square matrix. The demand that the square sum of the residual errors shall be minimum is not in general sufficient to ensure a unique or 'sound' solution. Therefore other demands which may include the demand for minimum square errors are introduced which lead to 'sound' and 'non-oscillatory' solutions irrespective of the shape of the original matrix and of the determinant of the matrix of the normal equations.
Ryo, Ikehata
Uniform energy and L2 decay of solutions for linear wave equations with localized dissipation will be given. In order to derive the L2-decay property of the solution, a useful device whose idea comes from Ikehata-Matsuyama (Sci. Math. Japon. 55 (2002) 33) is used. In fact, we shall show that the L2-norm and the total energy of solutions, respectively, decay like O(1/ t) and O(1/ t2) as t→+∞ for a kind of the weighted initial data.
Pore-scale and Continuum Simulations of Solute Transport Micromodel Benchmark Experiments
Energy Technology Data Exchange (ETDEWEB)
Oostrom, Martinus; Mehmani, Yashar; Romero Gomez, Pedro DJ; Tang, Y.; Liu, H.; Yoon, Hongkyu; Kang, Qinjun; Joekar Niasar, Vahid; Balhoff, Matthew; Dewers, T.; Tartakovsky, Guzel D.; Leist, Emily AE; Hess, Nancy J.; Perkins, William A.; Rakowski, Cynthia L.; Richmond, Marshall C.; Serkowski, John A.; Werth, Charles J.; Valocchi, Albert J.; Wietsma, Thomas W.; Zhang, Changyong
2016-08-01
Four sets of micromodel nonreactive solute transport experiments were conducted with flow velocity, grain diameter, pore-aspect ratio, and flow focusing heterogeneity as the variables. The data sets were offered to pore-scale modeling groups to test their simulators. Each set consisted of two learning experiments, for which all results was made available, and a challenge experiment, for which only the experimental description and base input parameters were provided. The experimental results showed a nonlinear dependence of the dispersion coefficient on the Peclet number, a negligible effect of the pore-aspect ratio on transverse mixing, and considerably enhanced mixing due to flow focusing. Five pore-scale models and one continuum-scale model were used to simulate the experiments. Of the pore-scale models, two used a pore-network (PN) method, two others are based on a lattice-Boltzmann (LB) approach, and one employed a computational fluid dynamics (CFD) technique. The learning experiments were used by the PN models to modify the standard perfect mixing approach in pore bodies into approaches to simulate the observed incomplete mixing. The LB and CFD models used these experiments to appropriately discretize the grid representations. The continuum model use published non-linear relations between transverse dispersion coefficients and Peclet numbers to compute the required dispersivity input values. Comparisons between experimental and numerical results for the four challenge experiments show that all pore-scale models were all able to satisfactorily simulate the experiments. The continuum model underestimated the required dispersivity values and, resulting in less dispersion. The PN models were able to complete the simulations in a few minutes, whereas the direct models needed up to several days on supercomputers to resolve the more complex problems.
Directory of Open Access Journals (Sweden)
Dauda GuliburYAKUBU
2012-12-01
Full Text Available Accurate solutions to initial value systems of ordinary differential equations may be approximated efficiently by Runge-Kutta methods or linear multistep methods. Each of these has limitations of one sort or another. In this paper we consider, as a middle ground, the derivation of continuous general linear methods for solution of stiff systems of initial value problems in ordinary differential equations. These methods are designed to combine the advantages of both Runge-Kutta and linear multistep methods. Particularly, methods possessing the property of A-stability are identified as promising methods within this large class of general linear methods. We show that the continuous general linear methods are self-starting and have more ability to solve the stiff systems of ordinary differential equations, than the discrete ones. The initial value systems of ordinary differential equations are solved, for instance, without looking for any other method to start the integration process. This desirable feature of the proposed approach leads to obtaining very high accuracy of the solution of the given problem. Illustrative examples are given to demonstrate the novelty and reliability of the methods.
International Nuclear Information System (INIS)
Phan Thanh An; Phan Le Na; Ngo Quoc Chung
2004-05-01
We describe a practical implementation for finding parametric domain for asymptotic stability with probability one of zero solution of linear Ito stochastic differential equations based on Korenevskij and Mitropolskij's sufficient condition and our sufficient conditions. Numerical results show that all of these sufficient conditions are crucial in the implementation. (author)
Elongation cutoff technique armed with quantum fast multipole method for linear scaling.
Korchowiec, Jacek; Lewandowski, Jakub; Makowski, Marcin; Gu, Feng Long; Aoki, Yuriko
2009-11-30
A linear-scaling implementation of the elongation cutoff technique (ELG/C) that speeds up Hartree-Fock (HF) self-consistent field calculations is presented. The cutoff method avoids the known bottleneck of the conventional HF scheme, that is, diagonalization, because it operates within the low dimension subspace of the whole atomic orbital space. The efficiency of ELG/C is illustrated for two model systems. The obtained results indicate that the ELG/C is a very efficient sparse matrix algebra scheme. Copyright 2009 Wiley Periodicals, Inc.
A critical oscillation constant as a variable of time scales for half-linear dynamic equations
Czech Academy of Sciences Publication Activity Database
Řehák, Pavel
2010-01-01
Roč. 60, č. 2 (2010), s. 237-256 ISSN 0139-9918 R&D Projects: GA AV ČR KJB100190701 Institutional research plan: CEZ:AV0Z10190503 Keywords : dynamic equation * time scale * half-linear equation * (non)oscillation criteria * Hille-Nehari criteria * Kneser criteria * critical constant * oscillation constant * Hardy inequality Subject RIV: BA - General Mathematics Impact factor: 0.316, year: 2010 http://link.springer.com/article/10.2478%2Fs12175-010-0009-7
Thach, Trung Thanh; Shin, Donghyuk; Han, Seungsu; Lee, Sangho
2016-04-01
The conformational flexibility of linkage-specific polyubiquitin chains enables ubiquitylated proteins and their receptors to be involved in a variety of cellular processes. Linear or Met1-linked polyubiquitin chains, associated with nondegradational cellular signalling pathways, have been known to adopt multiple conformations from compact to extended conformations. However, the extent of such conformational flexibility remains open. Here, the crystal structure of linear Ub2 was determined in a more compact conformation than that of the previously known structure (PDB entry 3axc). The two structures differ significantly from each other, as shown by an r.m.s.d. between C(α) atoms of 3.1 Å. The compactness of the linear Ub2 structure in comparison with PDB entry 3axc is supported by smaller values of the radius of gyration (Rg; 18 versus 18.9 Å) and the maximum interatomic distance (Dmax; 55.5 versus 57.8 Å). Extra intramolecular hydrogen bonds formed among polar residues between the distal and proximal ubiquitin moieties seem to contribute to stabilization of the compact conformation of linear Ub2. An ensemble of three semi-extended and extended conformations of linear Ub2 was also observed by small-angle X-ray scattering (SAXS) analysis in solution. In addition, the conformational heterogeneity in linear polyubiquitin chains is clearly manifested by SAXS analyses of linear Ub3 and Ub4: at least three distinct solution conformations are observed in each chain, with the linear Ub3 conformations being compact. The results expand the extent of conformational space of linear polyubiquitin chains and suggest that changes in the conformational ensemble may be pivotal in mediating multiple signalling pathways.
International Nuclear Information System (INIS)
Theodorakis, Stavros
2003-01-01
We emulate the cubic term Ψ 3 in the nonlinear Schroedinger equation by a piecewise linear term, thus reducing the problem to a set of uncoupled linear inhomogeneous differential equations. The resulting analytic expressions constitute an excellent approximation to the exact solutions, as is explicitly shown in the case of the kink, the vortex, and a δ function trap. Such a piecewise linear emulation can be used for any differential equation where the only nonlinearity is a Ψ 3 one. In particular, it can be used for the nonlinear Schroedinger equation in the presence of harmonic traps, giving analytic Bose-Einstein condensate solutions that reproduce very accurately the numerically calculated ones in one, two, and three dimensions
International Nuclear Information System (INIS)
Goncalves, Glenio A.; Bodmann, Bardo; Bogado, Sergio; Vilhena, Marco T.
2008-01-01
Analytical solutions for neutron transport in cylindrical geometry is available for isotropic problems, but to the best of our knowledge for anisotropic problems are not available, yet. In this work, an analytical solution for the neutron transport equation in an infinite cylinder assuming anisotropic scattering is reported. Here we specialize the solution, without loss of generality, for the linearly anisotropic problem using the combined decomposition and HTS N methods. The key feature of this method consists in the application of the decomposition method to the anisotropic problem by virtue of the fact that the inverse of the operator associated to isotropic problem is well know and determined by the HTS N approach. So far, following the idea of the decomposition method, we apply this operator to the integral term, assuming that the angular flux appearing in the integrand is considered to be equal to the HTS N solution interpolated by polynomial considering only even powers. This leads to the first approximation for an anisotropic solution. Proceeding further, we replace this solution for the angular flux in the integral and apply again the inverse operator for the isotropic problem in the integral term and obtain a new approximation for the angular flux. This iterative procedure yields a closed form solution for the angular flux. This methodology can be generalized, in a straightforward manner, for transport problems with any degree of anisotropy. For the sake of illustration, we report numerical simulations for linearly anisotropic transport problems. (author)
Directory of Open Access Journals (Sweden)
Xiaocui Wu
2015-02-01
Full Text Available The reliable simulation of gross primary productivity (GPP at various spatial and temporal scales is of significance to quantifying the net exchange of carbon between terrestrial ecosystems and the atmosphere. This study aimed to verify the ability of a nonlinear two-leaf model (TL-LUEn, a linear two-leaf model (TL-LUE, and a big-leaf light use efficiency model (MOD17 to simulate GPP at half-hourly, daily and 8-day scales using GPP derived from 58 eddy-covariance flux sites in Asia, Europe and North America as benchmarks. Model evaluation showed that the overall performance of TL-LUEn was slightly but not significantly better than TL-LUE at half-hourly and daily scale, while the overall performance of both TL-LUEn and TL-LUE were significantly better (p < 0.0001 than MOD17 at the two temporal scales. The improvement of TL-LUEn over TL-LUE was relatively small in comparison with the improvement of TL-LUE over MOD17. However, the differences between TL-LUEn and MOD17, and TL-LUE and MOD17 became less distinct at the 8-day scale. As for different vegetation types, TL-LUEn and TL-LUE performed better than MOD17 for all vegetation types except crops at the half-hourly scale. At the daily and 8-day scales, both TL-LUEn and TL-LUE outperformed MOD17 for forests. However, TL-LUEn had a mixed performance for the three non-forest types while TL-LUE outperformed MOD17 slightly for all these non-forest types at daily and 8-day scales. The better performance of TL-LUEn and TL-LUE for forests was mainly achieved by the correction of the underestimation/overestimation of GPP simulated by MOD17 under low/high solar radiation and sky clearness conditions. TL-LUEn is more applicable at individual sites at the half-hourly scale while TL-LUE could be regionally used at half-hourly, daily and 8-day scales. MOD17 is also an applicable option regionally at the 8-day scale.
International Nuclear Information System (INIS)
Chao, A.W.; Lee, M.J.
1975-09-01
Effects upon longitudinal bunch shape in a storage ring due to linear and nonlinear potential can be calculated by finding the stationary solution to the Fokker-Planck equation for the particle distribution. Effects upon transverse bunch shape of a stored electron beam due to photon emissions and damping can be calculated by this method. It has been found that this method can also be used for a case in which the transverse modes of oscillation are coupled to the energy deviation δ. Examples of lattice elements which produce linear coupling between these oscillations are skew quadrupole magnets and solenoid magnets. For the linearly coupled case the stationary solution has been found to be given by exp (ΣΣA/sub ij/ x/sub i/x/sub j/) with x/sub i/ the canonical variables (x,p/sub x/, y, p/sub y/, δ, p/sub δ/) and A /sub ij/ some constants. The solution for the values of A /sub ij/'s will be described in this report. It will be shown that this solution can be expressed in a compact form. For simple cases, this form of solution leads directly to analytic expressions for the values of A /sub ij/'s and the bunch shape can be calculated by integrating the distribution function over some of the coordinates; for the more complex cases, it can be conveniently adapted as an algorithm for numerical evaluation. 16 refs
Cosmological large-scale structures beyond linear theory in modified gravity
Energy Technology Data Exchange (ETDEWEB)
Bernardeau, Francis; Brax, Philippe, E-mail: francis.bernardeau@cea.fr, E-mail: philippe.brax@cea.fr [CEA, Institut de Physique Théorique, 91191 Gif-sur-Yvette Cédex (France)
2011-06-01
We consider the effect of modified gravity on the growth of large-scale structures at second order in perturbation theory. We show that modified gravity models changing the linear growth rate of fluctuations are also bound to change, although mildly, the mode coupling amplitude in the density and reduced velocity fields. We present explicit formulae which describe this effect. We then focus on models of modified gravity involving a scalar field coupled to matter, in particular chameleons and dilatons, where it is shown that there exists a transition scale around which the existence of an extra scalar degree of freedom induces significant changes in the coupling properties of the cosmic fields. We obtain the amplitude of this effect for realistic dilaton models at the tree-order level for the bispectrum, finding them to be comparable in amplitude to those obtained in the DGP and f(R) models.
Scaling versus asymptotic scaling in the non-linear σ-model in 2D. Continuum version
International Nuclear Information System (INIS)
Flyvbjerg, H.
1990-01-01
The two-point function of the O(N)-symmetric non-linear σ-model in two dimensions is large-N expanded and renormalized, neglecting terms of O(1/N 2 ). At finite cut-off, universal, analytical expressions relate the magnetic susceptibility and the dressed mass to the bare coupling. Removing the cut-off, a similar relation gives the renormalized coupling as a function of the mass gap. In the weak-coupling limit these relations reproduce the results of renormalization group improved weak-coupling perturbation theory to two-loop order. The constant left unknown, when the renormalization group is integrated, is determined here. The approach to asymptotic scaling is studied for various values of N. (orig.)
DEFF Research Database (Denmark)
Wang, Zhaohui; Folsø, Rasmus; Bondini, Francesca
1999-01-01
, full-scale measurements have been performed on board a 128 m monohull fast ferry. This paper deals with the results from these full-scale measurements. The primary results considered are pitch motion, midship vertical bending moment and vertical acceleration at the bow. Previous comparisons between...
Iterative solution of linear systems in the 20th century
Saad, Y.; Vorst, H.A. van der
2000-01-01
This paper sketches the main research developments in the area of iterative methods for solving linear systems during the 20th century. Although iterative methods for solving linear systems find their origin in the early nineteenth century (work by Gauss), the field has seen an explosion of
THE HIERARCHY OF COMPONENT FOR TASKS SOLUTION IN THE COURSE OF “LINEAR ALGEBRA”.
Directory of Open Access Journals (Sweden)
V. S. Kruglyk
2009-06-01
Full Text Available In the present article the case in point is an application of new informational technologies in the process of teaching Linear Algebra in Kherson State University. The component-oriented approach to the teaching Linear Algebra is examined as well as hierarchy of components which is used in the system and advantages of such approach in comparison with traditional approach.
Critical experiments for large scale enriched uranium solution handling
International Nuclear Information System (INIS)
Tanner, J.E.; Forehand, H.M.
1985-01-01
The authors have performed 17 critical experiments with a concentrated aqueous uranyl nitrate solution contained in an annular cylindrical tank, with annular cylindrical absorbers of stainless steel and/or polyethylene inside. k/sub eff/ calculated by KENO IV, employing 16-group Hansen-Roach cross sections, average 0.977. There is a variation of the calculational bias among the separate experiments, but it is too small to allow assigning it to specific components of the equipment. They are now performing critical experiments with a more concentrated uranyl nitrate solution in pairs of very squat cylindrical tanks with disc shaped absorbers and reflectors of carbon steel, stainless steel, nitronic-50, plain and borated polyethylene. These experiments are in support of upgrading fuel reprocessing at the Idaho Chemical Processing Plant
Teach for All: Storytelling "Shared Solutions" and Scaling Global Reform
Ahmann, Chloe
2015-01-01
"Teach For All" is a global network of state-based organizations that translate "Teach For America's" market model of school reform into moral projects of nation-building abroad. Referring to this challenge as one of "scaling" the organization, its leaders elaborate a theory of change that hinges on replicability: in…
International Nuclear Information System (INIS)
Li Xicheng; Xu Mingyu; Wang Shaowei
2008-01-01
In this paper, we give similarity solutions of partial differential equations of fractional order with a moving boundary condition. The solutions are given in terms of a generalized Wright function. The time-fractional Caputo derivative and two types of space-fractional derivatives are considered. The scale-invariant variable and the form of the solution of the moving boundary are obtained by the Lie group analysis. A comparison between the solutions corresponding to two types of fractional derivative is also given
Solution of linear transport equation using Chebyshev polynomials and Laplace transform
International Nuclear Information System (INIS)
Cardona, A.V.; Vilhena, M.T.M.B. de
1994-01-01
The Chebyshev polynomials and the Laplace transform are combined to solve, analytically, the linear transport equation in planar geometry, considering isotropic scattering and the one-group model. Numerical simulation is presented. (author)
Growth of meromorphic solutions of higher-order linear differential equations
Directory of Open Access Journals (Sweden)
Wenjuan Chen
2009-01-01
Full Text Available In this paper, we investigate the higher-order linear differential equations with meromorphic coefficients. We improve and extend a result of M.S. Liu and C.L. Yuan, by using the estimates for the logarithmic derivative of a transcendental meromorphic function due to Gundersen, and the extended Winman-Valiron theory which proved by J. Wang and H.X. Yi. In addition, we also consider the nonhomogeneous linear differential equations.
Energy Technology Data Exchange (ETDEWEB)
Palma, Daniel A.P. [CEFET QUIMICA de Nilopolis/RJ, 21941-914 Rio de Janeiro (Brazil)], E-mail: agoncalves@con.ufrj.br; Martinez, Aquilino S.; Goncalves, Alessandro C. [COPPE/UFRJ - Programa de Engenharia Nuclear, Rio de Janeiro (Brazil)
2009-09-15
The analytical solution of point kinetics equations with a group of delayed neutrons is useful in predicting the variation of neutron density during the start-up of a nuclear reactor. In the practical case of an increase of nuclear reactor power resulting from the linear insertion of reactivity, the exact analytical solution cannot be obtained. Approximate solutions have been obtained in previous articles, based on considerations that need to be verifiable in practice. In the present article, an alternative analytic solution is presented for point kinetics equations in which the only approximation consists of disregarding the term of the second derivative for neutron density in relation to time. The results proved satisfactory when applied to practical situations in the start-up of a nuclear reactor through the control rods withdraw.
International Nuclear Information System (INIS)
Palma, Daniel A.P.; Martinez, Aquilino S.; Goncalves, Alessandro C.
2009-01-01
The analytical solution of point kinetics equations with a group of delayed neutrons is useful in predicting the variation of neutron density during the start-up of a nuclear reactor. In the practical case of an increase of nuclear reactor power resulting from the linear insertion of reactivity, the exact analytical solution cannot be obtained. Approximate solutions have been obtained in previous articles, based on considerations that need to be verifiable in practice. In the present article, an alternative analytic solution is presented for point kinetics equations in which the only approximation consists of disregarding the term of the second derivative for neutron density in relation to time. The results proved satisfactory when applied to practical situations in the start-up of a nuclear reactor through the control rods withdraw.
Hanks, Brantley R.; Skelton, Robert E.
1991-01-01
This paper addresses the restriction of Linear Quadratic Regulator (LQR) solutions to the algebraic Riccati Equation to design spaces which can be implemented as passive structural members and/or dampers. A general closed-form solution to the optimal free-decay control problem is presented which is tailored for structural-mechanical systems. The solution includes, as subsets, special cases such as the Rayleigh Dissipation Function and total energy. Weighting matrix selection is a constrained choice among several parameters to obtain desired physical relationships. The closed-form solution is also applicable to active control design for systems where perfect, collocated actuator-sensor pairs exist. Some examples of simple spring mass systems are shown to illustrate key points.
The Front-End Readout as an Encoder IC for Magneto-Resistive Linear Scale Sensors
Directory of Open Access Journals (Sweden)
Trong-Hieu Tran
2016-09-01
Full Text Available This study proposes a front-end readout circuit as an encoder chip for magneto-resistance (MR linear scales. A typical MR sensor consists of two major parts: one is its base structure, also called the magnetic scale, which is embedded with multiple grid MR electrodes, while another is an “MR reader” stage with magnets inside and moving on the rails of the base. As the stage is in motion, the magnetic interaction between the moving stage and the base causes the variation of the magneto-resistances of the grid electrodes. In this study, a front-end readout IC chip is successfully designed and realized to acquire temporally-varying resistances in electrical signals as the stage is in motions. The acquired signals are in fact sinusoids and co-sinusoids, which are further deciphered by the front-end readout circuit via newly-designed programmable gain amplifiers (PGAs and analog-to-digital converters (ADCs. The PGA is particularly designed to amplify the signals up to full dynamic ranges and up to 1 MHz. A 12-bit successive approximation register (SAR ADC for analog-to-digital conversion is designed with linearity performance of ±1 in the least significant bit (LSB over the input range of 0.5–2.5 V from peak to peak. The chip was fabricated by the Taiwan Semiconductor Manufacturing Company (TSMC 0.35-micron complementary metal oxide semiconductor (CMOS technology for verification with a chip size of 6.61 mm2, while the power consumption is 56 mW from a 5-V power supply. The measured integral non-linearity (INL is −0.79–0.95 LSB while the differential non-linearity (DNL is −0.68–0.72 LSB. The effective number of bits (ENOB of the designed ADC is validated as 10.86 for converting the input analog signal to digital counterparts. Experimental validation was conducted. A digital decoder is orchestrated to decipher the harmonic outputs from the ADC via interpolation to the position of the moving stage. It was found that the displacement
Soil properties and preferential solute transport at the field scale
DEFF Research Database (Denmark)
Koestel, J K; Minh, Luong Nhat; Nørgaard, Trine
An important fraction of water flow and solute transport through soil takes place through preferential flow paths. Although this had been already observed in the nineteenth century, it had been forgotten by the scientific community until it was rediscovered during the 1970s. The awareness...... of the relevance of preferential flow was broadly re-established in the community by the early 1990s. However, since then, the notion remains widespread among soil scientists that the occurrence and strength of preferential flow cannot be predicted from measurable proxy variables such as soil properties or land...
Simple Hybrid Scaling-Free CORDIC Solution for FPGAs
Directory of Open Access Journals (Sweden)
Leonid Moroz
2014-01-01
Full Text Available COordinate Rotation DIgital Computer (CORDIC is an effective method that is used in digital signal processing applications for computing various trigonometric, hyperbolic, linear, and transcendental functions. This paper presents the theoretical basis and practical implementation of circular (sine-cosine CORDIC-based generator. Synthesis results of this generator based on Altera Stratix III FPGA (EP3SL340F1517C2 using Quartus II version 9.0 show that the proposed hybrid FPGA architecture significantly reduces latency (42% reduction with a small area overhead, compared to the conventional version. The proposed algorithm has been simulated for sine and cosine function evaluation, and it has been verified that the accuracy is comparable with conventional algorithm.
Massive-scale data management using standards-based solutions
Shiers, J
1999-01-01
In common with many large institutes, CERN has traditionally developed and maintained its own data management solutions. Recently, a significant change of direction has taken place and we have now adopted commercial tools, together with a small amount of site- specific code, for this task. The solutions chosen were originally studied as part of research and development projects oriented towards the Large Hadron Collider (LHC), which is currently under construction at CERN. They have since been adopted not only by the LHC collaborations, which are due to take production data starting in 2005, but also by numerous current experiments, both at CERN and at other High Energy Physics laboratories. Previous experiments, that used data management tools developed in-house, are also studying a possible move to the new environment. To meet the needs of today's experiments, data rates of up to 35 MB/second and data volumes of many hundred TB per experiment must be supported. Data distribution to multiple sites must be pr...
Karimi, Samaneh; Abdulkhani, Ali; Tahir, Paridah Md; Dufresne, Alain
2016-10-01
Cellulosic nanofibers (NFs) from kenaf bast were used to reinforce glycerol plasticized thermoplastic starch (TPS) matrices with varying contents (0-10wt%). The composites were prepared by casting/evaporation method. Raw fibers (RFs) reinforced TPS films were prepared with the same contents and conditions. The aim of study was to investigate the effects of filler dimension and loading on linear and non-linear mechanical performance of fabricated materials. Obtained results clearly demonstrated that the NF-reinforced composites had significantly greater mechanical performance than the RF-reinforced counterparts. This was attributed to the high aspect ratio and nano dimension of the reinforcing agents, as well as their compatibility with the TPS matrix, resulting in strong fiber/matrix interaction. Tensile strength and Young's modulus increased by 313% and 343%, respectively, with increasing NF content from 0 to 10wt%. Dynamic mechanical analysis (DMA) revealed an elevational trend in the glass transition temperature of amylopectin-rich domains in composites. The most eminent record was +18.5°C shift in temperature position of the film reinforced with 8% NF. This finding implied efficient dispersion of nanofibers in the matrix and their ability to form a network and restrict mobility of the system. Copyright © 2016 Elsevier B.V. All rights reserved.
Linear velocity fields in non-Gaussian models for large-scale structure
Scherrer, Robert J.
1992-01-01
Linear velocity fields in two types of physically motivated non-Gaussian models are examined for large-scale structure: seed models, in which the density field is a convolution of a density profile with a distribution of points, and local non-Gaussian fields, derived from a local nonlinear transformation on a Gaussian field. The distribution of a single component of the velocity is derived for seed models with randomly distributed seeds, and these results are applied to the seeded hot dark matter model and the global texture model with cold dark matter. An expression for the distribution of a single component of the velocity in arbitrary local non-Gaussian models is given, and these results are applied to such fields with chi-squared and lognormal distributions. It is shown that all seed models with randomly distributed seeds and all local non-Guassian models have single-component velocity distributions with positive kurtosis.
Energy Technology Data Exchange (ETDEWEB)
Corsini, Niccolò R. C., E-mail: niccolo.corsini@imperial.ac.uk; Greco, Andrea; Haynes, Peter D. [Department of Physics and Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Hine, Nicholas D. M. [Department of Physics and Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Cavendish Laboratory, J. J. Thompson Avenue, Cambridge CB3 0HE (United Kingdom); Molteni, Carla [Department of Physics, King' s College London, Strand, London WC2R 2LS (United Kingdom)
2013-08-28
We present an implementation in a linear-scaling density-functional theory code of an electronic enthalpy method, which has been found to be natural and efficient for the ab initio calculation of finite systems under hydrostatic pressure. Based on a definition of the system volume as that enclosed within an electronic density isosurface [M. Cococcioni, F. Mauri, G. Ceder, and N. Marzari, Phys. Rev. Lett.94, 145501 (2005)], it supports both geometry optimizations and molecular dynamics simulations. We introduce an approach for calibrating the parameters defining the volume in the context of geometry optimizations and discuss their significance. Results in good agreement with simulations using explicit solvents are obtained, validating our approach. Size-dependent pressure-induced structural transformations and variations in the energy gap of hydrogenated silicon nanocrystals are investigated, including one comparable in size to recent experiments. A detailed analysis of the polyamorphic transformations reveals three types of amorphous structures and their persistence on depressurization is assessed.
Operational method of solution of linear non-integer ordinary and partial differential equations.
Zhukovsky, K V
2016-01-01
We propose operational method with recourse to generalized forms of orthogonal polynomials for solution of a variety of differential equations of mathematical physics. Operational definitions of generalized families of orthogonal polynomials are used in this context. Integral transforms and the operational exponent together with some special functions are also employed in the solutions. The examples of solution of physical problems, related to such problems as the heat propagation in various models, evolutional processes, Black-Scholes-like equations etc. are demonstrated by the operational technique.
ZHU, C. S.; ROBB, D. A.; EWINS, D. J.
2002-05-01
The multiple-solution response of rotors supported on squeeze film dampers is a typical non-linear phenomenon. The behaviour of the multiple-solution response in a flexible rotor supported on two identical squeeze film dampers with centralizing springs is studied by three methods: synchronous circular centred-orbit motion solution, numerical integration method and slow acceleration method using the assumption of a short bearing and cavitated oil film; the differences of computational results obtained by the three different methods are compared in this paper. It is shown that there are three basic forms for the multiple-solution response in the flexible rotor system supported on the squeeze film dampers, which are the resonant, isolated bifurcation and swallowtail bifurcation multiple solutions. In the multiple-solution speed regions, the rotor motion may be subsynchronous, super-subsynchronous, almost-periodic and even chaotic, besides synchronous circular centred, even if the gravity effect is not considered. The assumption of synchronous circular centred-orbit motion for the journal and rotor around the static deflection line can be used only in some special cases; the steady state numerical integration method is very useful, but time consuming. Using the slow acceleration method, not only can the multiple-solution speed regions be detected, but also the non-synchronous response regions.
Chen, Y.-M.; Koniges, A. E.; Anderson, D. V.
1989-10-01
The biconjugate gradient method (BCG) provides an attractive alternative to the usual conjugate gradient algorithms for the solution of sparse systems of linear equations with nonsymmetric and indefinite matrix operators. A preconditioned algorithm is given, whose form resembles the incomplete L-U conjugate gradient scheme (ILUCG2) previously presented. Although the BCG scheme requires the storage of two additional vectors, it converges in a significantly lesser number of iterations (often half), while the number of calculations per iteration remains essentially the same.
Czech Academy of Sciences Publication Activity Database
Farwig, R.; Guenther, R.; Thomann, E.; Nečasová, Šárka
2014-01-01
Roč. 34, č. 2 (2014), s. 511-529 ISSN 1078-0947 R&D Projects: GA ČR(CZ) GAP201/11/1304; GA MŠk LC06052 Institutional support: RVO:67985840 Keywords : fundamental solution * linearized problem * Navier-Stokes problem Subject RIV: BA - General Mathematics Impact factor: 0.826, year: 2014 http://www.aimsciences.org/journals/displayArticlesnew.jsp?paperID=8831
Solution of linear and nonlinear matrix systems. Application to a nonlinear diffusion equation
International Nuclear Information System (INIS)
Bonnet, M.; Meurant, G.
1978-01-01
The object of this study is to compare different methods of solving linear and nonlinear algebraic systems and to apply them to the nonlinear system obtained by discretizing a nonlinear diffusion equation. For linear systems the conventional methods of alternating direction type or Gauss Seidel's methods are compared to more recent ones of the type of generalized conjugate gradient; the superiority of the latter is shown by numerical examples. For nonlinear systems, a method of nonlinear conjugate gradient is studied together with Newton's method and some of its variants. It should be noted, however, that Newton's method is found to be more efficient when coupled with a good method for solving the linear system. As a conclusion, these methods are used to solve a nonlinear diffusion problem and the numerical results obtained are compared [fr
An implicit meshless scheme for the solution of transient non-linear Poisson-type equations
Bourantas, Georgios
2013-07-01
A meshfree point collocation method is used for the numerical simulation of both transient and steady state non-linear Poisson-type partial differential equations. Particular emphasis is placed on the application of the linearization method with special attention to the lagging of coefficients method and the Newton linearization method. The localized form of the Moving Least Squares (MLS) approximation is employed for the construction of the shape functions, in conjunction with the general framework of the point collocation method. Computations are performed for regular nodal distributions, stressing the positivity conditions that make the resulting system stable and convergent. The accuracy and the stability of the proposed scheme are demonstrated through representative and well-established benchmark problems. © 2013 Elsevier Ltd.
An implicit meshless scheme for the solution of transient non-linear Poisson-type equations
Bourantas, Georgios; Burganos, Vasilis N.
2013-01-01
A meshfree point collocation method is used for the numerical simulation of both transient and steady state non-linear Poisson-type partial differential equations. Particular emphasis is placed on the application of the linearization method with special attention to the lagging of coefficients method and the Newton linearization method. The localized form of the Moving Least Squares (MLS) approximation is employed for the construction of the shape functions, in conjunction with the general framework of the point collocation method. Computations are performed for regular nodal distributions, stressing the positivity conditions that make the resulting system stable and convergent. The accuracy and the stability of the proposed scheme are demonstrated through representative and well-established benchmark problems. © 2013 Elsevier Ltd.
ON THE BOUNDEDNESS AND THE STABILITY OF SOLUTION TO THIRD ORDER NON-LINEAR DIFFERENTIAL EQUATIONS
Institute of Scientific and Technical Information of China (English)
无
2008-01-01
In this paper we investigate the global asymptotic stability,boundedness as well as the ultimate boundedness of solutions to a general third order nonlinear differential equation,using complete Lyapunov function.
On symmetry reduction and exact solutions of the linear one-dimensional Schroedinger equation
International Nuclear Information System (INIS)
Barannik, L.L.
1996-01-01
Symmetry reduction of the Schroedinger equation with potential is carried out on subalgebras of the Lie algebra which is the direct sum of the special Galilei algebra and one-dimensional algebra. Some new exact solutions are obtained
Nemeth, Michael P.; Schultz, Marc R.
2012-01-01
A detailed exact solution is presented for laminated-composite circular cylinders with general wall construction and that undergo axisymmetric deformations. The overall solution is formulated in a general, systematic way and is based on the solution of a single fourth-order, nonhomogeneous ordinary differential equation with constant coefficients in which the radial displacement is the dependent variable. Moreover, the effects of general anisotropy are included and positive-definiteness of the strain energy is used to define uniquely the form of the basis functions spanning the solution space of the ordinary differential equation. Loading conditions are considered that include axisymmetric edge loads, surface tractions, and temperature fields. Likewise, all possible axisymmetric boundary conditions are considered. Results are presented for five examples that demonstrate a wide range of behavior for specially orthotropic and fully anisotropic cylinders.
Analytical vs. Simulation Solution Techniques for Pulse Problems in Non-linear Stochastic Dynamics
DEFF Research Database (Denmark)
Iwankiewicz, R.; Nielsen, Søren R. K.
Advantages and disadvantages of available analytical and simulation techniques for pulse problems in non-linear stochastic dynamics are discussed. First, random pulse problems, both those which do and do not lead to Markov theory, are presented. Next, the analytical and analytically-numerical tec......Advantages and disadvantages of available analytical and simulation techniques for pulse problems in non-linear stochastic dynamics are discussed. First, random pulse problems, both those which do and do not lead to Markov theory, are presented. Next, the analytical and analytically...
A solution to the varying response of the linear power monitor induced by xenon poisoning
Energy Technology Data Exchange (ETDEWEB)
Godsey, T A; Randall, J D [Texas A and M University (United States)
1974-07-01
After conversion to FLIP fuel at Texas A and M, the fuel temperatures were examined very carefully. It was observed that the fuel temperature at 1 Mw varied over a wide range during the week. This variation was shown to be due to the variation in response of the linear CIC which was used to establish reactor power level. A modification of the linear power monitor was designed and installed. The response of this system was verified by using cobalt wires, fuel temperature, and a fission chamber located at 6 feet from the reactor core. The system has proven to be operationally satisfactory. (author)
International Nuclear Information System (INIS)
Bykova, L.N.; Chesnokova, O.Ya.; Orlova, M.V.
1995-01-01
The method for linearizing the potentiometric curves of precipitation titration is studied for its application in the determination of halide ions (Cl - , Br - , I - ) in dimethylacetamide, dimethylformamide, in which titration is complicated by additional equilibrium processes. It is found that the method of linearization permits the determination of the titrant volume at the end point of titration to high accuracy in the case of titration curves without a potential jump in the proximity of the equivalent point (5 x 10 -5 M). 3 refs., 2 figs., 3 tabs
An Explicit Enclosure of the Solution Set of Overdetermined Interval Linear Equations
Czech Academy of Sciences Publication Activity Database
Rohn, Jiří
2017-01-01
Roč. 24, February (2017), s. 1-10 ISSN 1573-1340 Institutional support: RVO:67985807 Keywords : interval linear equations * interval hull * unit midpoint * enclosure Subject RIV: BA - General Mathematics OBOR OECD: Applied mathematics http://interval.louisiana.edu/ reliable -computing-journal/volume-24/ reliable -computing-24-pp-001-010.pdf
Variations in the Solution of Linear First-Order Differential Equations. Classroom Notes
Seaman, Brian; Osler, Thomas J.
2004-01-01
A special project which can be given to students of ordinary differential equations is described in detail. Students create new differential equations by changing the dependent variable in the familiar linear first-order equation (dv/dx)+p(x)v=q(x) by means of a substitution v=f(y). The student then creates a table of the new equations and…
A block Krylov subspace time-exact solution method for linear ordinary differential equation systems
Bochev, Mikhail A.
2013-01-01
We propose a time-exact Krylov-subspace-based method for solving linear ordinary differential equation systems of the form $y'=-Ay+g(t)$ and $y"=-Ay+g(t)$, where $y(t)$ is the unknown function. The method consists of two stages. The first stage is an accurate piecewise polynomial approximation of
A Fifth Order Hybrid Linear Multistep method For the Direct Solution ...
African Journals Online (AJOL)
A linear multistep hybrid method (LMHM)with continuous coefficients isconsidered and directly applied to solve third order initial and boundary value problems (IBVPs). The continuous method is used to obtain Multiple Finite Difference Methods (MFDMs) (each of order 5) which are combined as simultaneous numerical ...
International Nuclear Information System (INIS)
Tait, E W; Payne, M C; Ratcliff, L E; Haynes, P D; Hine, N D M
2016-01-01
Experimental techniques for electron energy loss spectroscopy (EELS) combine high energy resolution with high spatial resolution. They are therefore powerful tools for investigating the local electronic structure of complex systems such as nanostructures, interfaces and even individual defects. Interpretation of experimental electron energy loss spectra is often challenging and can require theoretical modelling of candidate structures, which themselves may be large and complex, beyond the capabilities of traditional cubic-scaling density functional theory. In this work, we present functionality to compute electron energy loss spectra within the onetep linear-scaling density functional theory code. We first demonstrate that simulated spectra agree with those computed using conventional plane wave pseudopotential methods to a high degree of precision. The ability of onetep to tackle large problems is then exploited to investigate convergence of spectra with respect to supercell size. Finally, we apply the novel functionality to a study of the electron energy loss spectra of defects on the (1 0 1) surface of an anatase slab and determine concentrations of defects which might be experimentally detectable. (paper)
Narimani, Zahra; Beigy, Hamid; Ahmad, Ashar; Masoudi-Nejad, Ali; Fröhlich, Holger
2017-01-01
Inferring the structure of molecular networks from time series protein or gene expression data provides valuable information about the complex biological processes of the cell. Causal network structure inference has been approached using different methods in the past. Most causal network inference techniques, such as Dynamic Bayesian Networks and ordinary differential equations, are limited by their computational complexity and thus make large scale inference infeasible. This is specifically true if a Bayesian framework is applied in order to deal with the unavoidable uncertainty about the correct model. We devise a novel Bayesian network reverse engineering approach using ordinary differential equations with the ability to include non-linearity. Besides modeling arbitrary, possibly combinatorial and time dependent perturbations with unknown targets, one of our main contributions is the use of Expectation Propagation, an algorithm for approximate Bayesian inference over large scale network structures in short computation time. We further explore the possibility of integrating prior knowledge into network inference. We evaluate the proposed model on DREAM4 and DREAM8 data and find it competitive against several state-of-the-art existing network inference methods.
Non-linear dynamics and alternating 'flip' solutions in ferrofluidic Taylor-Couette flow
Altmeyer, Sebastian
2018-04-01
This study treats with the influence of a symmetry-breaking transversal magnetic field on the nonlinear dynamics of ferrofluidic Taylor-Couette flow - flow confined between two concentric independently rotating cylinders. We detected alternating 'flip' solutions which are flow states featuring typical characteristics of slow-fast-dynamics in dynamical systems. The flip corresponds to a temporal change in the axial wavenumber and we find them to appear either as pure 2-fold axisymmetric (due to the symmetry-breaking nature of the applied transversal magnetic field) or involving non-axisymmetric, helical modes in its interim solution. The latter ones show features of typical ribbon solutions. In any case the flip solutions have a preferential first axial wavenumber which corresponds to the more stable state (slow dynamics) and second axial wavenumber, corresponding to the short appearing more unstable state (fast dynamics). However, in both cases the flip time grows exponential with increasing the magnetic field strength before the flip solutions, living on 2-tori invariant manifolds, cease to exist, with lifetime going to infinity. Further we show that ferrofluidic flow turbulence differ from the classical, ordinary (usually at high Reynolds number) turbulence. The applied magnetic field hinders the free motion of ferrofluid partials and therefore smoothen typical turbulent quantities and features so that speaking of mildly chaotic dynamics seems to be a more appropriate expression for the observed motion.
Pore-scale simulation of fluid flow and solute dispersion in three-dimensional porous media
Icardi, Matteo; Boccardo, Gianluca; Marchisio, Daniele L.; Tosco, Tiziana; Sethi, Rajandrea
2014-01-01
In the present work fluid flow and solute transport through porous media are described by solving the governing equations at the pore scale with finite-volume discretization. Instead of solving the simplified Stokes equation (very often employed
Planck-scale physics and solutions to the strong CP-problem without axion
International Nuclear Information System (INIS)
Berezhiani, Z.G.; Mohapatra, R.N.; Senjanovic, G.
1992-12-01
We analyse the impact of quantum gravity on the possible solutions to the strong CP problem which utilize the spontaneously broken discrete symmetries, such as parity and time reversal invariance. We find that the stability of the solution under Planck scale effects provides an upper limit on the scale Λ of relevant symmetry breaking. This result is mode dependent and the bound is most restrictive for the seesaw type models of fermion masses, with Λ 6 GeV. (author). 32 refs
Existence of entire solutions of some non-linear differential-difference equations.
Chen, Minfeng; Gao, Zongsheng; Du, Yunfei
2017-01-01
In this paper, we investigate the admissible entire solutions of finite order of the differential-difference equations [Formula: see text] and [Formula: see text], where [Formula: see text], [Formula: see text] are two non-zero polynomials, [Formula: see text] is a polynomial and [Formula: see text]. In addition, we investigate the non-existence of entire solutions of finite order of the differential-difference equation [Formula: see text], where [Formula: see text], [Formula: see text] are two non-constant polynomials, [Formula: see text], m , n are positive integers and satisfy [Formula: see text] except for [Formula: see text], [Formula: see text].
Scott, James R.; Atassi, Hafiz M.
1990-01-01
A linearized unsteady aerodynamic analysis is presented for unsteady, subsonic vortical flows around lifting airfoils. The analysis fully accounts for the distortion effects of the nonuniform mean flow on the imposed vortical disturbances. A frequency domain numerical scheme which implements this linearized approach is described, and numerical results are presented for a large variety of flow configurations. The results demonstrate the effects of airfoil thickness, angle of attack, camber, and Mach number on the unsteady lift and moment of airfoils subjected to periodic vortical gusts. The results show that mean flow distortion can have a very strong effect on the airfoil unsteady response, and that the effect depends strongly upon the reduced frequency, Mach number, and gust wave numbers.
Solutions to estimation problems for scalar hamilton-jacobi equations using linear programming
Claudel, Christian G.; Chamoin, Timothee; Bayen, Alexandre M.
2014-01-01
This brief presents new convex formulations for solving estimation problems in systems modeled by scalar Hamilton-Jacobi (HJ) equations. Using a semi-analytic formula, we show that the constraints resulting from a HJ equation are convex, and can be written as a set of linear inequalities. We use this fact to pose various (and seemingly unrelated) estimation problems related to traffic flow-engineering as a set of linear programs. In particular, we solve data assimilation and data reconciliation problems for estimating the state of a system when the model and measurement constraints are incompatible. We also solve traffic estimation problems, such as travel time estimation or density estimation. For all these problems, a numerical implementation is performed using experimental data from the Mobile Century experiment. In the context of reproducible research, the code and data used to compute the results presented in this brief have been posted online and are accessible to regenerate the results. © 2013 IEEE.
Non-linear partial differential equations an algebraic view of generalized solutions
Rosinger, Elemer E
1990-01-01
A massive transition of interest from solving linear partial differential equations to solving nonlinear ones has taken place during the last two or three decades. The availability of better computers has often made numerical experimentations progress faster than the theoretical understanding of nonlinear partial differential equations. The three most important nonlinear phenomena observed so far both experimentally and numerically, and studied theoretically in connection with such equations have been the solitons, shock waves and turbulence or chaotical processes. In many ways, these phenomen
International Nuclear Information System (INIS)
Kalmykov, Mikhail Yu.; Kniehl, Bernd A.
2012-05-01
We argue that the Mellin-Barnes representations of Feynman diagrams can be used for obtaining linear systems of homogeneous differential equations for the original Feynman diagrams with arbitrary powers of propagators without recourse to the integration-by-parts technique. These systems of differential equation can be used (i) for the differential reductions to sets of basic functions and (ii) for counting the numbers of master-integrals.
Andrei, R.M.; Smith, C.S.; Fraanje, P.R.; Verhaegen, M.; Korkiakoski, V.A.; Keller, C.U.; Doelman, N.J.
2012-01-01
In this paper we give a new wavefront estimation technique that overcomes the main disadvantages of the phase diversity (PD) algorithms, namely the large computational complexity and the fact that the solutions can get stuck in a local minima. Our approach gives a good starting point for an
An Efficient Implementation of Non-Linear Limit State Analysis Based on Lower-Bound Solutions
DEFF Research Database (Denmark)
Damkilde, Lars; Schmidt, Lotte Juhl
2005-01-01
Limit State analysis has been used in design for decades e.g. the yield line theory for concrete slabs or slip line solutions in geotechnics. In engineering practice manual methods have been dominating but in recent years the interest in numerical methods has been increasing. In this respect it i...
Error compensation for hybrid-computer solution of linear differential equations
Kemp, N. H.
1970-01-01
Z-transform technique compensates for digital transport delay and digital-to-analog hold. Method determines best values for compensation constants in multi-step and Taylor series projections. Technique also provides hybrid-calculation error compared to continuous exact solution, plus system stability properties.
Some analytical solutions of the linearized Boussinesq equation with recharge for a sloping aquifer
Verhoest, N.; Troch, P.A.
2000-01-01
Subsurface flow from a hillslope can be described by the hydraulic groundwater theory as formulated by the Boussinesq equation. Several attempts have been made to solve this partial differential equation, and exact solutions have been found for specific situations. In the case of a sloping aquifer,
Scaling behavior of ground-state energy cluster expansion for linear polyenes
Griffin, L. L.; Wu, Jian; Klein, D. J.; Schmalz, T. G.; Bytautas, L.
Ground-state energies for linear-chain polyenes are additively expanded in a sequence of terms for chemically relevant conjugated substructures of increasing size. The asymptotic behavior of the large-substructure limit (i.e., high-polymer limit) is investigated as a means of characterizing the rapidity of convergence and consequent utility of this energy cluster expansion. Consideration is directed to computations via: simple Hückel theory, a refined Hückel scheme with geometry optimization, restricted Hartree-Fock self-consistent field (RHF-SCF) solutions of fixed bond-length Parisier-Parr-Pople (PPP)/Hubbard models, and ab initio SCF approaches with and without geometry optimization. The cluster expansion in what might be described as the more "refined" approaches appears to lead to qualitatively more rapid convergence: exponentially fast as opposed to an inverse power at the simple Hückel or SCF-Hubbard levels. The substructural energy cluster expansion then seems to merit special attention. Its possible utility in making accurate extrapolations from finite systems to extended polymers is noted.
Directory of Open Access Journals (Sweden)
Eusebio Eduardo Hernández Martinez
2013-01-01
Full Text Available In robotics, solving the direct kinematics problem (DKP for parallel robots is very often more difficult and time consuming than for their serial counterparts. The problem is stated as follows: given the joint variables, the Cartesian variables should be computed, namely the pose of the mobile platform. Most of the time, the DKP requires solving a non-linear system of equations. In addition, given that the system could be non-convex, Newton or Quasi-Newton (Dogleg based solvers get trapped on local minima. The capacity of such kinds of solvers to find an adequate solution strongly depends on the starting point. A well-known problem is the selection of such a starting point, which requires a priori information about the neighbouring region of the solution. In order to circumvent this issue, this article proposes an efficient method to select and to generate the starting point based on probabilistic learning. Experiments and discussion are presented to show the method performance. The method successfully avoids getting trapped on local minima without the need for human intervention, which increases its robustness when compared with a single Dogleg approach. This proposal can be extended to other structures, to any non-linear system of equations, and of course, to non-linear optimization problems.
High scale parity invariance as a solution to the SUSY CP problem ...
Indian Academy of Sciences (India)
scale SUSY ДК model provides a solution to the CP problems of the MSSM. A minimal version of this .... the renormalizable seesaw model so that К-parity conservation remains automatic. Pramana – J. Phys., Vol ... from the Planck scale to ЪК in the squark sector is to split the third generation squarks slightly from the first two ...
Measuring Functional Creativity: Non-Expert Raters and the Creative Solution Diagnosis Scale
Cropley, David H.; Kaufman, James C.
2012-01-01
The Creative Solution Diagnosis Scale (CSDS) is a 30-item scale based on a core of four criteria: Relevance & Effectiveness, Novelty, Elegance, and Genesis. The CSDS offers potential for the consensual assessment of functional product creativity. This article describes an empirical study in which non-expert judges rated a series of mousetrap…
Towards exact solutions of the non-linear Heisenberg-Pauli-Weyl spinor equation
International Nuclear Information System (INIS)
Mielke, E.W.
1980-03-01
In ''color geometrodynamics'' fundamental spinor fields are assumed to obey a GL(2f,C) x GL(2c,C) gauge-invariant nonlinear spinor equation of the Heisenberg-Pauli-Weyl type. Quark confinement, assimilating a scheme of Salam and Strathdee, is (partially) mediated by the tensor ''gluons'' of strong gravity. This hypothesis is incorporated into the model by considering the nonlinear Dirac equation in a curved space-time of hadronic dimensions. Disregarding internal degrees of freedom, it is then feasible, for a particular background space-time, to obtain exact solutions of the spherical bound-state problem. Finally, these solutions are tentatively interpreted as droplet-type solitons and remarks on their interrelation with Wheeler's geon construction are made. (author)
Directory of Open Access Journals (Sweden)
Darunee Hunwisai
2017-01-01
Full Text Available In this work, we considered two-person zero-sum games with fuzzy payoffs and matrix games with payoffs of trapezoidal intuitionistic fuzzy numbers (TrIFNs. The concepts of TrIFNs and their arithmetic operations were used. The cut-set based method for matrix game with payoffs of TrIFNs was also considered. Compute the interval-type value of any alfa-constrategies by simplex method for linear programming. The proposed method is illustrated with a numerical example.
Linearized stationary incompressible flow around rotating and translating bodies- Leray solution
Czech Academy of Sciences Publication Activity Database
Deuring, P.; Kračmar, S.; Nečasová, Šárka
2014-01-01
Roč. 7, č. 5 (2014), s. 967-979 ISSN 1937-1632 R&D Projects: GA ČR(CZ) GAP201/11/1304 Institutional support: RVO:67985840 Keywords : stationary Oseen problem * rotating body * Leray solution Subject RIV: BA - General Mathematics Impact factor: 0.567, year: 2014 http://www.aimsciences.org/journals/displayArticlesnew.jsp?paperID=9874
The solutions of second-order linear differential systems with constant delays
Diblík, Josef; Svoboda, Zdeněk
2017-07-01
The representations of solutions to initial problems for non-homogenous n-dimensional second-order differential equations with delays x″(t )-2 A x'(t -τ )+(A2+B2)x (t -2 τ )=f (t ) by means of special matrix delayed functions are derived. Square matrices A and B are commuting and τ > 0. Derived representations use what is called a delayed exponential of a matrix and results generalize some of known results previously derived for homogenous systems.
Mörtberg, Ewa; Reuterskiöld, Lena; Tillfors, Maria; Furmark, Tomas; Öst, Lars-Göran
2017-06-01
Culturally validated rating scales for social anxiety disorder (SAD) are of significant importance when screening for the disorder, as well as for evaluating treatment efficacy. This study examined construct validity and additional psychometric properties of two commonly used scales, the Social Phobia Scale and the Social Interaction Anxiety Scale, in a clinical SAD population (n = 180) and in a normal population (n = 614) in Sweden. Confirmatory factor analyses of previously reported factor solutions were tested but did not reveal acceptable fit. Exploratory factor analyses (EFA) of the joint structure of the scales in the total population yielded a two-factor model (performance anxiety and social interaction anxiety), whereas EFA in the clinical sample revealed a three-factor solution, a social interaction anxiety factor and two performance anxiety factors. The SPS and SIAS showed good to excellent internal consistency, and discriminated well between patients with SAD and a normal population sample. Both scales showed good convergent validity with an established measure of SAD, whereas the discriminant validity of symptoms of social anxiety and depression could not be confirmed. The optimal cut-off score for SPS and SIAS were 18 and 22 points, respectively. It is concluded that the factor structure and the additional psychometric properties of SPS and SIAS support the use of the scales for assessment in a Swedish population.
Directory of Open Access Journals (Sweden)
Matthew J Simpson
Full Text Available Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0
Simpson, Matthew J
2015-01-01
Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE) on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0exact solutions with numerical approximations confirms the veracity of the method. Furthermore, our examples illustrate a delicate interplay between: (i) the rate at which the domain elongates, (ii) the diffusivity associated with the spreading density profile, (iii) the reaction rate, and (iv) the initial condition. Altering the balance between these four features leads to different outcomes in terms of whether an initial profile, located near x = 0, eventually overcomes the domain growth and colonizes the entire length of the domain by reaching the boundary where x = L(t).
Directory of Open Access Journals (Sweden)
SÁVIO LEANDRO BERTOLI
2016-07-01
Full Text Available In the engineering courses the field of Transport Phenomena is of significant importance and it is in several disciplines relating to Fluid Mechanics, Heat and Mass Transfer. In these disciplines, problems involving these phenomena are mathematically formulated and analytical solutions are obtained whenever possible. The aim of this paper is to emphasize the possibility of extending aspects of the teaching-learning in this area by a method based on time scales and limit solutions. Thus, aspects relative to the phenomenology naturally arise during the definition of the scales and / or by determining the limit solutions. Aspects concerning the phenomenology of the limit problems are easily incorporated into the proposed development, which contributes significantly to the understanding of physics inherent in the mathematical modeling of each limiting case studied. Finally the study aims to disseminate the use of the limit solutions and of the time scales in the general fields of engineering.
Geon-type solutions of the non-linear Heisenberg-Klein-Gordon equation
International Nuclear Information System (INIS)
Mielke, E.W.; Scherzer, R.
1980-10-01
As a model for a ''unitary'' field theory of extended particles we consider the non-linear Klein-Gordon equation - associated with a ''squared'' Heisenberg-Pauli-Weyl non-linear spinor equation - coupled to strong gravity. Using a stationary spherical ansatz for the complex scalar field as well as for the background metric generated via Einstein's field equation, we are able to study the effects of the scalar self-interaction as well as of the classical tensor forces. By numerical integration we obtain a continuous spectrum of localized, gravitational solitons resembling the geons previously constructed for the Einstein-Maxwell system by Wheeler. A self-generated curvature potential originating from the curved background partially confines the Schroedinger type wave functions within the ''scalar geon''. For zero angular momentum states and normalized scalar charge the spectrum for the total gravitational energy of these solitons exhibits a branching with respect to the number of nodes appearing in the radial part of the scalar field. Preliminary studies for higher values of the corresponding ''principal quantum number'' reveal that a kind of fine splitting of the energy levels occurs, which may indicate a rich, particle-like structure of these ''quantized geons''. (author)
International Nuclear Information System (INIS)
Rohrer, D.M.
1975-01-01
This study is the result of research findings and operational experiences gained by the author in over four years of work associated with the use of 60 Co for the treatment of waste-water. The effects of 60 Co are discussed with regard to radiochemical destruction of specific organic pollutant species. The study deals specifically with the effects of gamma radiation from a 30,000 Ci 60 Co source upon aqueous solutions of Linear Alkyl Sulfonate Surfactants. The new Linear Alkyl Sulfonate (LAS) Surfactants, the major surfactant produced in the United States of America since June 1965, was developed to replace the old Alkyl Benzene Sulfonate (ABS) Surfactants. The reason for the removal of Alkyl Benzene Sulfonate Surfactants was their extreme environmental stability and the associated appearance of foam in waste-water treatment plants and receiving streams. Although the Linear Alkyl Sulfonate Surfactants are considered 'bio-degradable', the time required for 'bio-degradation' is impractical within the present environmental guidelines. This led to research into alternate techniques of treatment for the destruction of Linear Alkyl Sulfonate Surfactants. Consideration is also given to similar effects of gamma radiation upon pesticides and to the practical aspects of the use of gamma radiation for the treatment of waste-water. Included are discussions of the general experimental procedures used, the sources and their calibration, and sampling techniques to ensure the accuracy of the data. (author)
Tutcuoglu, A.; Majidi, C.
2014-12-01
Using principles of damped harmonic oscillation with continuous media, we examine electrostatic energy harvesting with a "soft-matter" array of dielectric elastomer (DE) transducers. The array is composed of infinitely thin and deformable electrodes separated by layers of insulating elastomer. During vibration, it deforms longitudinally, resulting in a change in the capacitance and electrical enthalpy of the charged electrodes. Depending on the phase of electrostatic loading, the DE array can function as either an actuator that amplifies small vibrations or a generator that converts these external excitations into electrical power. Both cases are addressed with a comprehensive theory that accounts for the influence of viscoelasticity, dielectric breakdown, and electromechanical coupling induced by Maxwell stress. In the case of a linearized Kelvin-Voigt model of the dielectric, we obtain a closed-form estimate for the electrical power output and a scaling law for DE generator design. For the complete nonlinear model, we obtain the optimal electrostatic voltage input for maximum electrical power output.
International Nuclear Information System (INIS)
Schmidt, W.; Waag, V.; Nadrowitz, R.; Wendorff, W.
1981-01-01
In 1981 the linear accelerator 'Neptun 10 p' will be mounted at the Radiological Clinic of the University of Greifswald. Its place will be an irradiation room which is equipped for a radiation of 1.33 MeV. The strengthening of walls and celling, which is necessary for 9 MeV bremsstrahlung and 10 MeV electron radiation, can only be realized by a self-supporting lead-steel construction for reasons of the distance to the neighbouring house and of the connected conditions of foundation as well as of the load capacity of the existing construction of the roof. As in the eighties similar problems are to be expected in other radiological hospitals of the GDR the constructive solution of the Greifswald linear accelerator project and connected problems of the radiation protection are represented. (author)
Scale Mismatches in Social-Ecological Systems: Causes, Consequences, and Solutions
Directory of Open Access Journals (Sweden)
Graeme S. Cumming
2006-06-01
Full Text Available Scale is a concept that transcends disciplinary boundaries. In ecology and geography, scale is usually defined in terms of spatial and temporal dimensions. Sociological scale also incorporates space and time, but adds ideas about representation and organization. Although spatial and temporal location determine the context for social and ecological dynamics, social-ecological interactions can create dynamic feedback loops in which humans both influence and are influenced by ecosystem processes. We hypothesize that many of the problems encountered by societies in managing natural resources arise because of a mismatch between the scale of management and the scale(s of the ecological processes being managed. We use examples from southern Africa and the southern United States to address four main questions: (1 What is a "scale mismatch?" (2 How are scale mismatches generated? (3 What are the consequences of scale mismatches? (4 How can scale mismatches be resolved? Scale mismatches occur when the scale of environmental variation and the scale of social organization in which the responsibility for management resides are aligned in such a way that one or more functions of the social-ecological system are disrupted, inefficiencies occur, and/or important components of the system are lost. They are generated by a wide range of social, ecological, and linked social-ecological processes. Mismatches between the scales of ecological processes and the institutions that are responsible for managing them can contribute to a decrease in social-ecological resilience, including the mismanagement of natural resources and a decrease in human well-being. Solutions to scale mismatches usually require institutional changes at more than one hierarchical level. Long-term solutions to scale mismatch problems will depend on social learning and the development of flexible institutions that can adjust and reorganize in response to changes in ecosystems. Further research is
Meunier, Félicien; Couvreur, Valentin; Draye, Xavier; Zarebanadkouki, Mohsen; Vanderborght, Jan; Javaux, Mathieu
2017-12-01
In 1978, Landsberg and Fowkes presented a solution of the water flow equation inside a root with uniform hydraulic properties. These properties are root radial conductivity and axial conductance, which control, respectively, the radial water flow between the root surface and xylem and the axial flow within the xylem. From the solution for the xylem water potential, functions that describe the radial and axial flow along the root axis were derived. These solutions can also be used to derive root macroscopic parameters that are potential input parameters of hydrological and crop models. In this paper, novel analytical solutions of the water flow equation are developed for roots whose hydraulic properties vary along their axis, which is the case for most plants. We derived solutions for single roots with linear or exponential variations of hydraulic properties with distance to root tip. These solutions were subsequently combined to construct single roots with complex hydraulic property profiles. The analytical solutions allow one to verify numerical solutions and to get a generalization of the hydric behaviour with the main influencing parameters of the solutions. The resulting flow distributions in heterogeneous roots differed from those in uniform roots and simulations led to more regular, less abrupt variations of xylem suction or radial flux along root axes. The model could successfully be applied to maize effective root conductance measurements to derive radial and axial hydraulic properties. We also show that very contrasted root water uptake patterns arise when using either uniform or heterogeneous root hydraulic properties in a soil-root model. The optimal root radius that maximizes water uptake under a carbon cost constraint was also studied. The optimal radius was shown to be highly dependent on the root hydraulic properties and close to observed properties in maize roots. We finally used the obtained functions for evaluating the impact of root maturation
Directory of Open Access Journals (Sweden)
F. Meunier
2017-12-01
Full Text Available In 1978, Landsberg and Fowkes presented a solution of the water flow equation inside a root with uniform hydraulic properties. These properties are root radial conductivity and axial conductance, which control, respectively, the radial water flow between the root surface and xylem and the axial flow within the xylem. From the solution for the xylem water potential, functions that describe the radial and axial flow along the root axis were derived. These solutions can also be used to derive root macroscopic parameters that are potential input parameters of hydrological and crop models. In this paper, novel analytical solutions of the water flow equation are developed for roots whose hydraulic properties vary along their axis, which is the case for most plants. We derived solutions for single roots with linear or exponential variations of hydraulic properties with distance to root tip. These solutions were subsequently combined to construct single roots with complex hydraulic property profiles. The analytical solutions allow one to verify numerical solutions and to get a generalization of the hydric behaviour with the main influencing parameters of the solutions. The resulting flow distributions in heterogeneous roots differed from those in uniform roots and simulations led to more regular, less abrupt variations of xylem suction or radial flux along root axes. The model could successfully be applied to maize effective root conductance measurements to derive radial and axial hydraulic properties. We also show that very contrasted root water uptake patterns arise when using either uniform or heterogeneous root hydraulic properties in a soil–root model. The optimal root radius that maximizes water uptake under a carbon cost constraint was also studied. The optimal radius was shown to be highly dependent on the root hydraulic properties and close to observed properties in maize roots. We finally used the obtained functions for evaluating the impact
Bower, Dan J.; Sanan, Patrick; Wolf, Aaron S.
2018-01-01
The energy balance of a partially molten rocky planet can be expressed as a non-linear diffusion equation using mixing length theory to quantify heat transport by both convection and mixing of the melt and solid phases. Crucially, in this formulation the effective or eddy diffusivity depends on the entropy gradient, ∂S / ∂r , as well as entropy itself. First we present a simplified model with semi-analytical solutions that highlights the large dynamic range of ∂S / ∂r -around 12 orders of magnitude-for physically-relevant parameters. It also elucidates the thermal structure of a magma ocean during the earliest stage of crystal formation. This motivates the development of a simple yet stable numerical scheme able to capture the large dynamic range of ∂S / ∂r and hence provide a flexible and robust method for time-integrating the energy equation. Using insight gained from the simplified model, we consider a full model, which includes energy fluxes associated with convection, mixing, gravitational separation, and conduction that all depend on the thermophysical properties of the melt and solid phases. This model is discretised and evolved by applying the finite volume method (FVM), allowing for extended precision calculations and using ∂S / ∂r as the solution variable. The FVM is well-suited to this problem since it is naturally energy conserving, flexible, and intuitive to incorporate arbitrary non-linear fluxes that rely on lookup data. Special attention is given to the numerically challenging scenario in which crystals first form in the centre of a magma ocean. The computational framework we devise is immediately applicable to modelling high melt fraction phenomena in Earth and planetary science research. Furthermore, it provides a template for solving similar non-linear diffusion equations that arise in other science and engineering disciplines, particularly for non-linear functional forms of the diffusion coefficient.
Communications oriented programming of parallel iterative solutions of sparse linear systems
Patrick, M. L.; Pratt, T. W.
1986-01-01
Parallel algorithms are developed for a class of scientific computational problems by partitioning the problems into smaller problems which may be solved concurrently. The effectiveness of the resulting parallel solutions is determined by the amount and frequency of communication and synchronization and the extent to which communication can be overlapped with computation. Three different parallel algorithms for solving the same class of problems are presented, and their effectiveness is analyzed from this point of view. The algorithms are programmed using a new programming environment. Run-time statistics and experience obtained from the execution of these programs assist in measuring the effectiveness of these algorithms.
On the asymptotic solution to a class of linear integral equations
International Nuclear Information System (INIS)
Gautesen, A.K.
1988-01-01
The authors consider Fredholm integral equations of the first kind whose kernels are a function of the difference between two points times a large parameter. Conditions on the kernel are stated in terms of a function corresponding to a Wiener-Hopf factorization of the Fourier transform of the kernel. They give the complete asymptotic expansions of the solution to the integral equations. As applications of the author's results, the author considers the steady-state, acoustical scattering of a plane wave by both a hard strip and a soft strip. The author's results are uniform with respect to the direction of incidence
Ground-water solute transport modeling using a three-dimensional scaled model
International Nuclear Information System (INIS)
Crider, S.S.
1987-01-01
Scaled models are used extensively in current hydraulic research on sediment transport and solute dispersion in free surface flows (rivers, estuaries), but are neglected in current ground-water model research. Thus, an investigation was conducted to test the efficacy of a three-dimensional scaled model of solute transport in ground water. No previous results from such a model have been reported. Experiments performed on uniform scaled models indicated that some historical problems (e.g., construction and scaling difficulties; disproportionate capillary rise in model) were partly overcome by using simple model materials (sand, cement and water), by restricting model application to selective classes of problems, and by physically controlling the effect of the model capillary zone. Results from these tests were compared with mathematical models. Model scaling laws were derived for ground-water solute transport and used to build a three-dimensional scaled model of a ground-water tritium plume in a prototype aquifer on the Savannah River Plant near Aiken, South Carolina. Model results compared favorably with field data and with a numerical model. Scaled models are recommended as a useful additional tool for prediction of ground-water solute transport
Antar, B. N.
1976-01-01
A numerical technique is presented for locating the eigenvalues of two point linear differential eigenvalue problems. The technique is designed to search for complex eigenvalues belonging to complex operators. With this method, any domain of the complex eigenvalue plane could be scanned and the eigenvalues within it, if any, located. For an application of the method, the eigenvalues of the Orr-Sommerfeld equation of the plane Poiseuille flow are determined within a specified portion of the c-plane. The eigenvalues for alpha = 1 and R = 10,000 are tabulated and compared for accuracy with existing solutions.
DEFF Research Database (Denmark)
Fitzek, Frank; Toth, Tamas; Szabados, Áron
2014-01-01
This paper advocates the use of random linear network coding for storage in distributed clouds in order to reduce storage and traffic costs in dynamic settings, i.e. when adding and removing numerous storage devices/clouds on-the-fly and when the number of reachable clouds is limited. We introduce...... various network coding approaches that trade-off reliability, storage and traffic costs, and system complexity relying on probabilistic recoding for cloud regeneration. We compare these approaches with other approaches based on data replication and Reed-Solomon codes. A simulator has been developed...... to carry out a thorough performance evaluation of the various approaches when relying on different system settings, e.g., finite fields, and network/storage conditions, e.g., storage space used per cloud, limited network use, and limited recoding capabilities. In contrast to standard coding approaches, our...
Iterative solution of general sparse linear systems on clusters of workstations
Energy Technology Data Exchange (ETDEWEB)
Lo, Gen-Ching; Saad, Y. [Univ. of Minnesota, Minneapolis, MN (United States)
1996-12-31
Solving sparse irregularly structured linear systems on parallel platforms poses several challenges. First, sparsity makes it difficult to exploit data locality, whether in a distributed or shared memory environment. A second, perhaps more serious challenge, is to find efficient ways to precondition the system. Preconditioning techniques which have a large degree of parallelism, such as multicolor SSOR, often have a slower rate of convergence than their sequential counterparts. Finally, a number of other computational kernels such as inner products could ruin any gains gained from parallel speed-ups, and this is especially true on workstation clusters where start-up times may be high. In this paper we discuss these issues and report on our experience with PSPARSLIB, an on-going project for building a library of parallel iterative sparse matrix solvers.
Diffusion-accelerated solution of the 2-D x-y Sn equations with linear-bilinear nodal differencing
International Nuclear Information System (INIS)
Wareing, T.A.; Walters, W.F.; Morel, J.E.
1994-01-01
Recently a new diffusion-synthetic acceleration scheme was developed for solving the 2-D S n Equations in x-y geometry with bilinear-discontinuous finite element spatial discretization using a bilinear-discontinuous diffusion differencing scheme for the diffusion acceleration equations. This method differs from previous methods in that it is conditional efficient for problems with isotropic or nearly isotropic scattering. We have used the same bilinear-discontinuous diffusion scheme, and associated solution technique, to accelerate the x-y geometry S n equations with linear-bilinear nodal spatial differencing. We find that this leads to an unconditionally efficient solution method for problems with isotropic or nearly isotropic scattering. computational results are given which demonstrate this property
A Combined MPI-CUDA Parallel Solution of Linear and Nonlinear Poisson-Boltzmann Equation
Directory of Open Access Journals (Sweden)
José Colmenares
2014-01-01
Full Text Available The Poisson-Boltzmann equation models the electrostatic potential generated by fixed charges on a polarizable solute immersed in an ionic solution. This approach is often used in computational structural biology to estimate the electrostatic energetic component of the assembly of molecular biological systems. In the last decades, the amount of data concerning proteins and other biological macromolecules has remarkably increased. To fruitfully exploit these data, a huge computational power is needed as well as software tools capable of exploiting it. It is therefore necessary to move towards high performance computing and to develop proper parallel implementations of already existing and of novel algorithms. Nowadays, workstations can provide an amazing computational power: up to 10 TFLOPS on a single machine equipped with multiple CPUs and accelerators such as Intel Xeon Phi or GPU devices. The actual obstacle to the full exploitation of modern heterogeneous resources is efficient parallel coding and porting of software on such architectures. In this paper, we propose the implementation of a full Poisson-Boltzmann solver based on a finite-difference scheme using different and combined parallel schemes and in particular a mixed MPI-CUDA implementation. Results show great speedups when using the two schemes, achieving an 18.9x speedup using three GPUs.
International Nuclear Information System (INIS)
Mezhov, E.A.; Khananashvili, N.L.; Shmidt, V.S.
1988-01-01
A linear correlation has been established between the solubility of water in water-immiscible organic solvents and the interfacial tension at the water-solvent interface on the one hand and the parameters of the SE* and π* scales for these solvents on the other hand. This allows us, using the known tabulated SE* or π* parameters for each solvent, to predict the values of the interfacial tension and the solubility of water for the corresponding systems. We have shown that the SE* scale allows us to predict these values more accurately than other known solvent scales, since in contrast to other scales it characterizes solvents found in equilibrium with water
DEFF Research Database (Denmark)
Webb, Garry; Sørensen, Mads Peter; Brio, Moysey
2004-01-01
the electromagnetic momentum and energy conservation laws, corresponding to the space and time translation invariance symmetries. The symmetries are used to obtain classical similarity solutions of the equations. The traveling wave similarity solutions for the case of a cubic Kerr nonlinearity, are shown to reduce...... the properties of Maxwell's equations in nonlinear optics, without resorting to the commonly used nonlinear Schr\\"odinger (NLS) equation approximation in which a high frequency carrier wave is modulated on long length and time scales due to nonlinear sideband wave interactions. This is important in femto......-second pulse propagation in which the NLS approximation is expected to break down. The canonical Hamiltonian description of the equations involves the solution of a polynomial equation for the electric field $E$, in terms of the the canonical variables, with possible multiple real roots for $E$. In order...
Hirakawa, Teruo; Suzuki, Teppei; Bowler, David R; Miyazaki, Tsuyoshi
2017-10-11
We discuss the development and implementation of a constant temperature (NVT) molecular dynamics scheme that combines the Nosé-Hoover chain thermostat with the extended Lagrangian Born-Oppenheimer molecular dynamics (BOMD) scheme, using a linear scaling density functional theory (DFT) approach. An integration scheme for this canonical-ensemble extended Lagrangian BOMD is developed and discussed in the context of the Liouville operator formulation. Linear scaling DFT canonical-ensemble extended Lagrangian BOMD simulations are tested on bulk silicon and silicon carbide systems to evaluate our integration scheme. The results show that the conserved quantity remains stable with no systematic drift even in the presence of the thermostat.
Hosseini, K.; Ayati, Z.; Ansari, R.
2018-04-01
One specific class of non-linear evolution equations, known as the Tzitzéica-type equations, has received great attention from a group of researchers involved in non-linear science. In this article, new exact solutions of the Tzitzéica-type equations arising in non-linear optics, including the Tzitzéica, Dodd-Bullough-Mikhailov and Tzitzéica-Dodd-Bullough equations, are obtained using the expa function method. The integration technique actually suggests a useful and reliable method to extract new exact solutions of a wide range of non-linear evolution equations.
Programmable Solution for Solving Non-linearity Characteristics of Smart Sensor Applications
Directory of Open Access Journals (Sweden)
S. Khan
2007-10-01
Full Text Available This paper presents a simple but programmable technique to solve the problem of non-linear characteristics of sensors used in more sensitive applications. The nonlinearity of the output response becomes a very sensitive issue in cases where a proportional increase in the physical quantity fails to bring about a proportional increase in the signal measured. The nonlinearity is addressed by using the interpolation method on the characteristics of a given sensor, approximating it to a set of tangent lines, the tangent points of which are recognized in the code of the processor by IF-THEN code. The method suggested here eliminates the use of external circuits for interfacing, and eases the programming burden on the processor at the cost of proportionally reduced memory requirements. The mathematically worked out results are compared with the simulation and experimental results for an IR sensor selected for the purpose and used for level measurement. This work will be of paramount importance and significance in applications where the controlled signal is required to follow the input signal precisely particularly in sensitive robotic applications.
Energy Technology Data Exchange (ETDEWEB)
Clemens, M.; Weiland, T. [Technische Hochschule Darmstadt (Germany)
1996-12-31
In the field of computational electrodynamics the discretization of Maxwell`s equations using the Finite Integration Theory (FIT) yields very large, sparse, complex symmetric linear systems of equations. For this class of complex non-Hermitian systems a number of conjugate gradient-type algorithms is considered. The complex version of the biconjugate gradient (BiCG) method by Jacobs can be extended to a whole class of methods for complex-symmetric algorithms SCBiCG(T, n), which only require one matrix vector multiplication per iteration step. In this class the well-known conjugate orthogonal conjugate gradient (COCG) method for complex-symmetric systems corresponds to the case n = 0. The case n = 1 yields the BiCGCR method which corresponds to the conjugate residual algorithm for the real-valued case. These methods in combination with a minimal residual smoothing process are applied separately to practical 3D electro-quasistatical and eddy-current problems in electrodynamics. The practical performance of the SCBiCG methods is compared with other methods such as QMR and TFQMR.
Energy Technology Data Exchange (ETDEWEB)
Nygaard, K
1968-09-15
From the point of view that no mathematical method can ever minimise or alter errors already made in a physical measurement, the classical least squares method has severe limitations which makes it unsuitable for the statistical analysis of many physical measurements. Based on the assumptions that the experimental errors are characteristic for each single experiment and that the errors must be properly estimated rather than minimised, a new method for solving large systems of linear equations is developed. The new method exposes the entire range of possible solutions before the decision is taken which of the possible solutions should be chosen as a representative one. The choice is based on physical considerations which (in two examples, curve fitting and unfolding of a spectrum) are presented in such a form that a computer is able to make the decision, A description of the computation is given. The method described is a tool for removing uncertainties due to conventional mathematical formulations (zero determinant, linear dependence) and which are not inherent in the physical problem as such. The method is therefore especially well fitted for unfolding of spectra.
Directory of Open Access Journals (Sweden)
El-Khamsa Guechi
2016-09-01
Full Text Available Potato peel (PP was used as a biosorbent to remove malachite green (MG from aqueous solution under various operating conditions. The effect of the experimental parameters such as initial dye concentration, biosorbent dose, initial pH, stirring speed, temperature, ionic strength and biosorbent particle size was investigated through a number of batch sorption experiments. The sorption kinetic uptake for MG by PP at various initial dye concentrations was analyzed by non-linear method using pseudo-first, pseudo-second and pseudo-nth order models. It was found that the pseudo-nth order kinetic model was the best applicable model to describe the sorption kinetic data and the order n of sorption reaction was calculated in the range from 0.71 to 2.71. Three sorption isotherms namely the Langmuir, Freundlich and Redlich–Peterson isotherms in their non-linear forms were applied to the biosorption equilibrium data. Both the Langmuir and Redlich–Peterson models were found to fit the sorption isotherm data well, but the Redlich–Peterson model was better. Thermodynamic parameters show that the sorption process of MG is endothermic and more effective process at high temperatures. The results revealed that PP is very effective for the biosorption of MG from aqueous solutions.
International Nuclear Information System (INIS)
Nygaard, K.
1968-09-01
From the point of view that no mathematical method can ever minimise or alter errors already made in a physical measurement, the classical least squares method has severe limitations which makes it unsuitable for the statistical analysis of many physical measurements. Based on the assumptions that the experimental errors are characteristic for each single experiment and that the errors must be properly estimated rather than minimised, a new method for solving large systems of linear equations is developed. The new method exposes the entire range of possible solutions before the decision is taken which of the possible solutions should be chosen as a representative one. The choice is based on physical considerations which (in two examples, curve fitting and unfolding of a spectrum) are presented in such a form that a computer is able to make the decision, A description of the computation is given. The method described is a tool for removing uncertainties due to conventional mathematical formulations (zero determinant, linear dependence) and which are not inherent in the physical problem as such. The method is therefore especially well fitted for unfolding of spectra
Energy Technology Data Exchange (ETDEWEB)
Wiedemann, H.
1981-11-01
Since no linear colliders have been built yet it is difficult to know at what energy the linear cost scaling of linear colliders drops below the quadratic scaling of storage rings. There is, however, no doubt that a linear collider facility for a center of mass energy above say 500 GeV is significantly cheaper than an equivalent storage ring. In order to make the linear collider principle feasible at very high energies a number of problems have to be solved. There are two kinds of problems: one which is related to the feasibility of the principle and the other kind of problems is associated with minimizing the cost of constructing and operating such a facility. This lecture series describes the problems and possible solutions. Since the real test of a principle requires the construction of a prototype I will in the last chapter describe the SLC project at the Stanford Linear Accelerator Center.
International Nuclear Information System (INIS)
Wiedemann, H.
1981-11-01
Since no linear colliders have been built yet it is difficult to know at what energy the linear cost scaling of linear colliders drops below the quadratic scaling of storage rings. There is, however, no doubt that a linear collider facility for a center of mass energy above say 500 GeV is significantly cheaper than an equivalent storage ring. In order to make the linear collider principle feasible at very high energies a number of problems have to be solved. There are two kinds of problems: one which is related to the feasibility of the principle and the other kind of problems is associated with minimizing the cost of constructing and operating such a facility. This lecture series describes the problems and possible solutions. Since the real test of a principle requires the construction of a prototype I will in the last chapter describe the SLC project at the Stanford Linear Accelerator Center
Lorenzo, C F; Hartley, T T; Malti, R
2013-05-13
A new and simplified method for the solution of linear constant coefficient fractional differential equations of any commensurate order is presented. The solutions are based on the R-function and on specialized Laplace transform pairs derived from the principal fractional meta-trigonometric functions. The new method simplifies the solution of such fractional differential equations and presents the solutions in the form of real functions as opposed to fractional complex exponential functions, and thus is directly applicable to real-world physics.
Large-scale fluctuations in the diffusive decomposition of solid solutions
International Nuclear Information System (INIS)
Karpov, V.G.; Grimsditch, M.
1995-01-01
The concept of an instability in the classic Ostwald ripening theory with respect to compositional fluctuations is suggested. We show that small statistical fluctuations in the precipitate phase lead to gigantic Coulomb-like fluctuations in the solute concentration which in turn affect the ripening. As a result large-scale fluctuations in both the precipitate and solute concentrations appear. These fluctuations are characterized by amplitudes of the order of the average values of the corresponding quantities and by a space scale L∼(na) -1/2 which is considerably greater than both the average nuclear radius and internuclear distance. The Lifshitz-Slyozov theory of ripening is shown to remain locally applicable, over length scales much less than L. The implications of these findings for elastic light scattering in solid solutions that have undergone Ostwald ripening are considered
Large-scale fluctuations in the diffusive decomposition of solid solutions
Karpov, V. G.; Grimsditch, M.
1995-04-01
The concept of an instability in the classic Ostwald ripening theory with respect to compositional fluctuations is suggested. We show that small statistical fluctuations in the precipitate phase lead to gigantic Coulomb-like fluctuations in the solute concentration which in turn affect the ripening. As a result large-scale fluctuations in both the precipitate and solute concentrations appear. These fluctuations are characterized by amplitudes of the order of the average values of the corresponding quantities and by a space scale L~(na)-1/2 which is considerably greater than both the average nuclear radius and internuclear distance. The Lifshitz-Slyozov theory of ripening is shown to remain locally applicable, over length scales much less than L. The implications of these findings for elastic light scattering in solid solutions that have undergone Ostwald ripening are considered.
Validation of favor code linear elastic fracture solutions for finite-length flaw geometries
International Nuclear Information System (INIS)
Dickson, T.L.; Keeney, J.A.; Bryson, J.W.
1995-01-01
One of the current tasks within the US Nuclear Regulatory Commission (NRC)-funded Heavy Section Steel Technology Program (HSST) at Oak Ridge National Laboratory (ORNL) is the continuing development of the FAVOR (Fracture, analysis of Vessels: Oak Ridge) computer code. FAVOR performs structural integrity analyses of embrittled nuclear reactor pressure vessels (RPVs) with stainless steel cladding, to evaluate compliance with the applicable regulatory criteria. Since the initial release of FAVOR, the HSST program has continued to enhance the capabilities of the FAVOR code. ABAQUS, a nuclear quality assurance certified (NQA-1) general multidimensional finite element code with fracture mechanics capabilities, was used to generate a database of stress-intensity-factor influence coefficients (SIFICs) for a range of axially and circumferentially oriented semielliptical inner-surface flaw geometries applicable to RPVs with an internal radius (Ri) to wall thickness (w) ratio of 10. This database of SIRCs has been incorporated into a development version of FAVOR, providing it with the capability to perform deterministic and probabilistic fracture analyses of RPVs subjected to transients, such as pressurized thermal shock (PTS), for various flaw geometries. This paper discusses the SIFIC database, comparisons with other investigators, and some of the benchmark verification problem specifications and solutions
Directory of Open Access Journals (Sweden)
Nahed S. Hussein
2014-01-01
Full Text Available A numerical boundary integral scheme is proposed for the solution to the system of eld equations of plane. The stresses are prescribed on one-half of the circle, while the displacements are given. The considered problem with mixed boundary conditions in the circle is replaced by two problems with homogeneous boundary conditions, one of each type, having a common solution. The equations are reduced to a system of boundary integral equations, which is then discretized in the usual way, and the problem at this stage is reduced to the solution to a rectangular linear system of algebraic equations. The unknowns in this system of equations are the boundary values of four harmonic functions which define the full elastic solution and the unknown boundary values of stresses or displacements on proper parts of the boundary. On the basis of the obtained results, it is inferred that a stress component has a singularity at each of the two separation points, thought to be of logarithmic type. The results are discussed and boundary plots are given. We have also calculated the unknown functions in the bulk directly from the given boundary conditions using the boundary collocation method. The obtained results in the bulk are discussed and three-dimensional plots are given. A tentative form for the singular solution is proposed and the corresponding singular stresses and displacements are plotted in the bulk. The form of the singular tangential stress is seen to be compatible with the boundary values obtained earlier. The efficiency of the used numerical schemes is discussed.
Taousser, Fatima; Defoort, Michael; Djemai, Mohamed
2016-01-01
This paper investigates the consensus problem for linear multi-agent system with fixed communication topology in the presence of intermittent communication using the time-scale theory. Since each agent can only obtain relative local information intermittently, the proposed consensus algorithm is based on a discontinuous local interaction rule. The interaction among agents happens at a disjoint set of continuous-time intervals. The closed-loop multi-agent system can be represented using mixed linear continuous-time and linear discrete-time models due to intermittent information transmissions. The time-scale theory provides a powerful tool to combine continuous-time and discrete-time cases and study the consensus protocol under a unified framework. Using this theory, some conditions are derived to achieve exponential consensus under intermittent information transmissions. Simulations are performed to validate the theoretical results.
International Nuclear Information System (INIS)
Riplinger, Christoph; Pinski, Peter; Becker, Ute; Neese, Frank; Valeev, Edward F.
2016-01-01
Domain based local pair natural orbital coupled cluster theory with single-, double-, and perturbative triple excitations (DLPNO-CCSD(T)) is a highly efficient local correlation method. It is known to be accurate and robust and can be used in a black box fashion in order to obtain coupled cluster quality total energies for large molecules with several hundred atoms. While previous implementations showed near linear scaling up to a few hundred atoms, several nonlinear scaling steps limited the applicability of the method for very large systems. In this work, these limitations are overcome and a linear scaling DLPNO-CCSD(T) method for closed shell systems is reported. The new implementation is based on the concept of sparse maps that was introduced in Part I of this series [P. Pinski, C. Riplinger, E. F. Valeev, and F. Neese, J. Chem. Phys. 143, 034108 (2015)]. Using the sparse map infrastructure, all essential computational steps (integral transformation and storage, initial guess, pair natural orbital construction, amplitude iterations, triples correction) are achieved in a linear scaling fashion. In addition, a number of additional algorithmic improvements are reported that lead to significant speedups of the method. The new, linear-scaling DLPNO-CCSD(T) implementation typically is 7 times faster than the previous implementation and consumes 4 times less disk space for large three-dimensional systems. For linear systems, the performance gains and memory savings are substantially larger. Calculations with more than 20 000 basis functions and 1000 atoms are reported in this work. In all cases, the time required for the coupled cluster step is comparable to or lower than for the preceding Hartree-Fock calculation, even if this is carried out with the efficient resolution-of-the-identity and chain-of-spheres approximations. The new implementation even reduces the error in absolute correlation energies by about a factor of two, compared to the already accurate
Horkay, Ferenc; Falus, Peter; Hecht, Anne-Marie; Geissler, Erik
2010-12-02
In solutions of the charged semirigid biopolymer hyaluronic acid in salt-free conditions, the diffusion coefficient D(NSE) measured at high transfer momentum q by neutron spin echo is more than an order of magnitude smaller than that determined by dynamic light scattering, D(DLS). This behavior contrasts with neutral polymer solutions. With increasing salt content, D(DLS) approaches D(NSE), which is independent of ionic strength. Contrary to theoretical expectation, the ion-polymer coupling, which dominates the low q dynamics of polyelectrolyte solutions, already breaks down at distance scales greater than the Debye-Hückel length.
Stability and periodicity of solutions for delay dynamic systems on time scales
Directory of Open Access Journals (Sweden)
Zhi-Qiang Zhu
2014-04-01
Full Text Available This article concerns the stability and periodicity of solutions to the delay dynamic system $$ x^{\\triangle}(t=A(t x(t + F(t, x(t, x(g(t+C(t $$ on a time scale. By the inequality technique for vectors, we obtain some stability criteria for the above system. Then, by using the Horn fixed point theorem, we present some conditions under which our system is asymptotically periodic and its periodic solution is unique. In particular, the periodic solution is positive under proper assumptions.
Mass transfer processes and field-scale transport of organic solutes
International Nuclear Information System (INIS)
Brusseau, M.L.
1990-01-01
The influence of mass transfer processes, such as sorption/desorption and mass transfer between immiscible liquids and water, on the transport of organic solutes is discussed. Rate-limited sorption of organic solutes caused by a diffusion-constrained mechanism is shown to be significant under laboratory conditions. The significance of the impact of nonequilibrium sorption on field-scale transport is scale dependent. The impact of organic liquids on mass transfer and transport of organic solutes depends upon the nature of the solute and the nature and form of the organic liquid. For example, while retardation of nonionic solutes is decreased in mixed-solvent systems, (i.e. systems comprised of water and a miscible organic liquid or an immiscible liquid present in concentrations below phase separation), the retardation of organic acids may, in some cases, increase with addition of a cosolvent. While the presence of an immiscible liquid existing as a mobile phase will reduce retention of organic solutes, the presence of residual saturation of an immiscible liquid can significantly increase retention. A model is presented that incorporates the effects of retention resulting from residual saturation, as well as nonequilibrium sorption, on the transport of organic solutes. (Author) (70 refs., 3 figs.)
Chapter 6. Scaling Up Solutions to State, National and Global Levels
Kammen, Daniel; Rotman, Doug; Delmas, Magali; Feldman, David; Mielke, Mike; Ramesh, Ramamoorthy; Sperling, Daniel
2016-01-01
Scaling-up solutions require learning and adapting lessons between locations and at different scales. To accomplish this, common metrics are vital to building a shared language. For California, this has meant careful financial, cradle-to-grave life-cycle assessment methods leading to carbon accounting in many avenues of government (via the Low Carbon Fuel Standard or the Cap and Trade program). These methods themselves interact, such as the use of carbon accounting for the resources needed to...
Directory of Open Access Journals (Sweden)
Nikolay N. Nefedov
2018-01-01
Full Text Available In the paper, we study a singularly perturbed periodic in time problem for the parabolic reaction-advection-diffusion equation with a weak linear advection. The case of the reactive term in the form of a cubic nonlinearity is considered. On the basis of already known results, a more general formulation of the problem is investigated, with weaker sufficient conditions for the existence of a solution with an internal transition layer to be provided than in previous studies. For convenience, the known results are given, which ensure the fulfillment of the existence theorem of the contrast structure. The justification for the existence of a solution with an internal transition layer is based on the use of an asymptotic method of differential inequalities based on the modification of the terms of the constructed asymptotic expansion. Further, sufficient conditions are established to fulfill these requirements, and they have simple and concise formulations in the form of the algebraic equation w(x0,t = 0 and the condition wx(x0,t < 0, which is essentially a condition of simplicity of the root x0(t and ensuring the stability of the solution found. The function w is a function of the known functions appearing in the reactive and advective terms of the original problem. The equation w(x0,t = 0 is a problem for finding the zero approximation x0(t to determine the localization region of the inner transition layer. In addition, the asymptotic Lyapunov stability of the found periodic solution is investigated, based on the application of the so-called compressible barrier method. The main result of the paper is formulated as a theorem.
Directory of Open Access Journals (Sweden)
2007-01-01
Full Text Available Hysteresis is a rate-independent non-linearity that is expressed through thresholds, switches, and branches. Exceedance of a threshold, or the occurrence of a turning point in the input, switches the output onto a particular output branch. Rate-independent branching on a very large set of switches with non-local memory is the central concept in the new definition of hysteresis. Hysteretic loops are a special case. A self-consistent mathematical description of hydrological systems with hysteresis demands a new non-linear systems theory of adequate generality. The goal of this paper is to establish this and to show how this may be done. Two results are presented: a conceptual model for the hysteretic soil-moisture characteristic at the pedon scale and a hysteretic linear reservoir at the catchment scale. Both are based on the Preisach model. A result of particular significance is the demonstration that the independent domain model of the soil moisture characteristic due to Childs, Poulavassilis, Mualem and others, is equivalent to the Preisach hysteresis model of non-linear systems theory, a result reminiscent of the reduction of the theory of the unit hydrograph to linear systems theory in the 1950s. A significant reduction in the number of model parameters is also achieved. The new theory implies a change in modelling paradigm.
A multi scale approximation solution for the time dependent Boltzmann-transport equation
International Nuclear Information System (INIS)
Merk, B.
2004-03-01
The basis of all transient simulations for nuclear reactor cores is the reliable calculation of the power production. The local power distribution is generally calculated by solving the space, time, energy and angle dependent neutron transport equation known as Boltzmann equation. The computation of exact solutions of the Boltzmann equation is very time consuming. For practical numerical simulations approximated solutions are usually unavoidable. The objective of this work is development of an effective multi scale approximation solution for the Boltzmann equation. Most of the existing methods are based on separation of space and time. The new suggested method is performed without space-time separation. This effective approximation solution is developed on the basis of an expansion for the time derivative of different approximations to the Boltzmann equation. The method of multiple scale expansion is used for the expansion of the time derivative, because the problem of the stiff time behaviour can't be expressed by standard expansion methods. This multiple scale expansion is used in this work to develop approximation solutions for different approximations of the Boltzmann equation, starting from the expansion of the point kinetics equations. The resulting analytic functions are used for testing the applicability and accuracy of the multiple scale expansion method for an approximation solution with 2 delayed neutron groups. The results are tested versus the exact analytical results for the point kinetics equations. Very good agreement between both solutions is obtained. The validity of the solution with 2 delayed neutron groups to approximate the behaviour of the system with 6 delayed neutron groups is demonstrated in an additional analysis. A strategy for a solution with 4 delayed neutron groups is described. A multiple scale expansion is performed for the space-time dependent diffusion equation for one homogenized cell with 2 delayed neutron groups. The result is
A new scaling for the rotational diffusion of molecular probes in polymer solutions.
Qing, Jing; Chen, Anpu; Zhao, Nanrong
2017-12-13
In the present work, we propose a new scaling form for the rotational diffusion coefficient of molecular probes in semi-dilute polymer solutions, based on a theoretical study. The mean-field theory for depletion effect and semi-empirical scaling equation for the macroscopic viscosity of polymer solutions are properly incorporated to specify the space-dependent concentration and viscosity profiles in the vicinity of the probe surface. Following the scheme of classical fluid mechanics, we numerically evaluate the shear torque exerted on the probes, which then allows us to further calculate the rotational diffusion coefficient D r . Particular attention is given to the scaling behavior of the retardation factor R rot ≡ D/D r with D being the diffusion coefficient in pure solvent. We find that R rot has little relevance to the macroscopic viscosity of the polymer solution, while it can be well featured by the characteristic length scale r h /δ, i.e. the ratio between the hydrodynamic radius of the probe r h and the depletion thickness δ. Correspondingly, we obtain a novel scaling form for the rotational retardation factor, following R rot = exp[a(r h /δ) b ] with rather robust parameters of a ≃ 0.51 and b ≃ 0.56. We apply the theory to an extensive calculation for various probes in specific polymer solutions of poly(ethylene glycol) (PEG) and dextran. Our theoretical results show good agreements with the experimental data, and clearly demonstrate the validity of the new scaling form. In addition, the difference of the scaling behavior between translational and rotational diffusions is clarified, from which we conclude that the depletion effect plays a more significant role on the local rotational diffusion rather than the long-range translation diffusion.
Principal and nonprincipal solutions of symplectic dynamic systems on time scales
Directory of Open Access Journals (Sweden)
Ondrej Dosly
2000-01-01
Full Text Available We establish the concept of the principal and nonprincipal solution for the so-called symplectic dynamic systems on time scales. We also present a brief survey of the history of these concept for differential and difference equations.
International Nuclear Information System (INIS)
Shimizu, Yoshiaki
1991-01-01
In recent complicated nuclear systems, there are increasing demands for developing highly advanced procedures for various problems-solvings. Among them keen interests have been paid on man-machine communications to improve both safety and economy factors. Many optimization methods have been good enough to elaborate on these points. In this preliminary note, we will concern with application of linear programming (LP) for this purpose. First we will present a new superior version of the generalized PAPA method (GEPAPA) to solve LP problems. We will then examine its effectiveness when applied to derive dynamic matrix control (DMC) as the LP solution. The approach is to aim at the above goal through a quality control of process that will appear in the system. (author)
International Nuclear Information System (INIS)
Čisárová, Jana; Strečka, Jozef
2014-01-01
Exact solution of a coupled spin–electron linear chain composed of localized Ising spins and mobile electrons is found. The investigated spin–electron model is exactly solvable by the use of a transfer-matrix method after tracing out the degrees of freedom of mobile electrons delocalized over a couple of interstitial (decorating) sites. The exact ground-state phase diagram reveals an existence of five phases with different number of mobile electrons per unit cell, two of which are ferromagnetic, two are paramagnetic and one is antiferromagnetic. We have studied in particular the dependencies of compressibility and specific heat on temperature and electron density. - Highlights: • A coupled spin–electron chain composed of Ising spins and mobile electrons is exactly solved. • Quantum paramagnetic, ferromagnetic and antiferromagnetic ground states are found. • A compressibility shows a non-monotonous dependence on temperature and electron density. • Thermal dependences of specific heat display two distinct peaks
Energy Technology Data Exchange (ETDEWEB)
Zuehlsdorff, T. J., E-mail: tjz21@cam.ac.uk; Payne, M. C. [Cavendish Laboratory, J. J. Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Hine, N. D. M. [Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom); Haynes, P. D. [Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Thomas Young Centre for Theory and Simulation of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom)
2015-11-28
We present a solution of the full time-dependent density-functional theory (TDDFT) eigenvalue equation in the linear response formalism exhibiting a linear-scaling computational complexity with system size, without relying on the simplifying Tamm-Dancoff approximation (TDA). The implementation relies on representing the occupied and unoccupied subspaces with two different sets of in situ optimised localised functions, yielding a very compact and efficient representation of the transition density matrix of the excitation with the accuracy associated with a systematic basis set. The TDDFT eigenvalue equation is solved using a preconditioned conjugate gradient algorithm that is very memory-efficient. The algorithm is validated on a small test molecule and a good agreement with results obtained from standard quantum chemistry packages is found, with the preconditioner yielding a significant improvement in convergence rates. The method developed in this work is then used to reproduce experimental results of the absorption spectrum of bacteriochlorophyll in an organic solvent, where it is demonstrated that the TDA fails to reproduce the main features of the low energy spectrum, while the full TDDFT equation yields results in good qualitative agreement with experimental data. Furthermore, the need for explicitly including parts of the solvent into the TDDFT calculations is highlighted, making the treatment of large system sizes necessary that are well within reach of the capabilities of the algorithm introduced here. Finally, the linear-scaling properties of the algorithm are demonstrated by computing the lowest excitation energy of bacteriochlorophyll in solution. The largest systems considered in this work are of the same order of magnitude as a variety of widely studied pigment-protein complexes, opening up the possibility of studying their properties without having to resort to any semiclassical approximations to parts of the protein environment.
DEFF Research Database (Denmark)
Risager, Morten S.; Rudnick, Zeev
We study a variant of a problem considered by Dinaburg and Sinai on the statistics of the minimal solution to a linear Diophantine equation. We show that the signed ratio between the Euclidean norms of the minimal solution and the coefficient vector is uniformly distributed modulo one. We reduce ...
International Nuclear Information System (INIS)
Fronteau, J.; Combis, P.
1984-08-01
A Lagrangian method is introduced for the integration of non-linear Fokker-Planck equations. Examples of exact solutions obtained in this way are given, and also the explicit scheme used for the computation of numerical solutions. The method is, in addition, shown to be of a Lie-admissible type
Majdalani, Samer; Guinot, Vincent; Delenne, Carole; Gebran, Hicham
2018-06-01
This paper is devoted to theoretical and experimental investigations of solute dispersion in heterogeneous porous media. Dispersion in heterogenous porous media has been reported to be scale-dependent, a likely indication that the proposed dispersion models are incompletely formulated. A high quality experimental data set of breakthrough curves in periodic model heterogeneous porous media is presented. In contrast with most previously published experiments, the present experiments involve numerous replicates. This allows the statistical variability of experimental data to be accounted for. Several models are benchmarked against the data set: the Fickian-based advection-dispersion, mobile-immobile, multirate, multiple region advection dispersion models, and a newly proposed transport model based on pure advection. A salient property of the latter model is that its solutions exhibit a ballistic behaviour for small times, while tending to the Fickian behaviour for large time scales. Model performance is assessed using a novel objective function accounting for the statistical variability of the experimental data set, while putting equal emphasis on both small and large time scale behaviours. Besides being as accurate as the other models, the new purely advective model has the advantages that (i) it does not exhibit the undesirable effects associated with the usual Fickian operator (namely the infinite solute front propagation speed), and (ii) it allows dispersive transport to be simulated on every heterogeneity scale using scale-independent parameters.
Non-linear optics of nano-scale pentacene thin film
Yahia, I. S.; Alfaify, S.; Jilani, Asim; Abdel-wahab, M. Sh.; Al-Ghamdi, Attieh A.; Abutalib, M. M.; Al-Bassam, A.; El-Naggar, A. M.
2016-07-01
We have found the new ways to investigate the linear/non-linear optical properties of nanostructure pentacene thin film deposited by thermal evaporation technique. Pentacene is the key material in organic semiconductor technology. The existence of nano-structured thin film was confirmed by atomic force microscopy and X-ray diffraction. The wavelength-dependent transmittance and reflectance were calculated to observe the optical behavior of the pentacene thin film. It has been observed the anomalous dispersion at wavelength λ 800. The non-linear refractive index of the deposited films was investigated. The linear optical susceptibility of pentacene thin film was calculated, and we observed the non-linear optical susceptibility of pentacene thin film at about 6 × 10-13 esu. The advantage of this work is to use of spectroscopic method to calculate the liner and non-liner optical response of pentacene thin films rather than expensive Z-scan. The calculated optical behavior of the pentacene thin films could be used in the organic thin films base advanced optoelectronic devices such as telecommunications devices.
Sajjadi, Mohammadreza; Pishkenari, Hossein Nejat; Vossoughi, Gholamreza
2018-06-01
Trolling mode atomic force microscopy (TR-AFM) has resolved many imaging problems by a considerable reduction of the liquid-resonator interaction forces in liquid environments. The present study develops a nonlinear model of the meniscus force exerted to the nanoneedle of TR-AFM and presents an analytical solution to the distributed-parameter model of TR-AFM resonator utilizing multiple time scales (MTS) method. Based on the developed analytical solution, the frequency-response curves of the resonator operation in air and liquid (for different penetration length of the nanoneedle) are obtained. The closed-form analytical solution and the frequency-response curves are validated by the comparison with both the finite element solution of the main partial differential equations and the experimental observations. The effect of excitation angle of the resonator on horizontal oscillation of the probe tip and the effect of different parameters on the frequency-response of the system are investigated.
De Sitter and scaling solutions in a higher-order modified teleparallel theory
Energy Technology Data Exchange (ETDEWEB)
Paliathanasis, Andronikos, E-mail: anpaliat@phys.uoa.gr [Instituto de Ciencias Físicas y Matemáticas, Universidad Austral de Chile, Valdivia (Chile)
2017-08-01
The existence and the stability conditions for some exact relativistic solutions of special interest are studied in a higher-order modified teleparallel gravitational theory. The theory with the use of a Lagrange multiplier is equivalent with that of General Relativity with a minimally coupled noncanonical field. The conditions for the existence of de Sitter solutions and ideal gas solutions in the case of vacuum are studied as also the stability criteria. Furthermore, in the presence of matter the behaviour of scaling solutions is given. Finally, we discuss the degrees of freedom of the field equations and we reduce the field equations in an algebraic equation, where in order to demonstrate our result we show how this noncanonical scalar field can reproduce the Hubble function of Λ-cosmology.
Renormalization group equation and scaling solutions for f(R) gravity in exponential parametrization
International Nuclear Information System (INIS)
Ohta, Nobuyoshi; Percacci, Roberto; Vacca, Gian Paolo
2016-01-01
We employ the exponential parametrization of the metric and a ''physical'' gauge fixing procedure to write a functional flow equation for the gravitational effective average action in an f(R) truncation. The background metric is a four-sphere and the coarse-graining procedure contains three free parameters. We look for scaling solutions, i.e. non-Gaussian fixed points for the function f. For a discrete set of values of the parameters, we find simple global solutions of quadratic polynomial form. For other values, global solutions can be found numerically. Such solutions can be extended in certain regions of parameter space and have two relevant directions. We discuss the merits and the shortcomings of this procedure. (orig.)
Recent advances toward a general purpose linear-scaling quantum force field.
Giese, Timothy J; Huang, Ming; Chen, Haoyuan; York, Darrin M
2014-09-16
Conspectus There is need in the molecular simulation community to develop new quantum mechanical (QM) methods that can be routinely applied to the simulation of large molecular systems in complex, heterogeneous condensed phase environments. Although conventional methods, such as the hybrid quantum mechanical/molecular mechanical (QM/MM) method, are adequate for many problems, there remain other applications that demand a fully quantum mechanical approach. QM methods are generally required in applications that involve changes in electronic structure, such as when chemical bond formation or cleavage occurs, when molecules respond to one another through polarization or charge transfer, or when matter interacts with electromagnetic fields. A full QM treatment, rather than QM/MM, is necessary when these features present themselves over a wide spatial range that, in some cases, may span the entire system. Specific examples include the study of catalytic events that involve delocalized changes in chemical bonds, charge transfer, or extensive polarization of the macromolecular environment; drug discovery applications, where the wide range of nonstandard residues and protonation states are challenging to model with purely empirical MM force fields; and the interpretation of spectroscopic observables. Unfortunately, the enormous computational cost of conventional QM methods limit their practical application to small systems. Linear-scaling electronic structure methods (LSQMs) make possible the calculation of large systems but are still too computationally intensive to be applied with the degree of configurational sampling often required to make meaningful comparison with experiment. In this work, we present advances in the development of a quantum mechanical force field (QMFF) suitable for application to biological macromolecules and condensed phase simulations. QMFFs leverage the benefits provided by the LSQM and QM/MM approaches to produce a fully QM method that is able to
Effects of turbulent hyporheic mixing on reach-scale solute transport
Roche, K. R.; Li, A.; Packman, A. I.
2017-12-01
Turbulence rapidly mixes solutes and fine particles into coarse-grained streambeds. Both hyporheic exchange rates and spatial variability of hyporheic mixing are known to be controlled by turbulence, but it is unclear how turbulent mixing influences mass transport at the scale of stream reaches. We used a process-based particle-tracking model to simulate local- and reach-scale solute transport for a coarse-bed stream. Two vertical mixing profiles, one with a smooth transition from in-stream to hyporheic transport conditions and a second with enhanced turbulent transport at the sediment-water interface, were fit to steady-state subsurface concentration profiles observed in laboratory experiments. The mixing profile with enhanced interfacial transport better matched the observed concentration profiles and overall mass retention in the streambed. The best-fit mixing profiles were then used to simulate upscaled solute transport in a stream. Enhanced mixing coupled in-stream and hyporheic solute transport, causing solutes exchanged into the shallow subsurface to have travel times similar to the water column. This extended the exponential region of the in-stream solute breakthrough curve, and delayed the onset of the heavy power-law tailing induced by deeper and slower hyporheic porewater velocities. Slopes of observed power-law tails were greater than those predicted from stochastic transport theory, and also changed in time. In addition, rapid hyporheic transport velocities truncated the hyporheic residence time distribution by causing mass to exit the stream reach via subsurface advection, yielding strong exponential tempering in the in-stream breakthrough curves at the timescale of advective hyporheic transport through the reach. These results show that strong turbulent mixing across the sediment-water interface violates the conventional separation of surface and subsurface flows used in current models for solute transport in rivers. Instead, the full distribution of
Energy Technology Data Exchange (ETDEWEB)
Alleon, G. [EADS-CCR, 31 - Blagnac (France); Carpentieri, B.; Du, I.S.; Giraud, L.; Langou, J.; Martin, E. [Cerfacs, 31 - Toulouse (France)
2003-07-01
The boundary element method has become a popular tool for the solution of Maxwell's equations in electromagnetism. It discretizes only the surface of the radiating object and gives rise to linear systems that are smaller in size compared to those arising from finite element or finite difference discretizations. However, these systems are prohibitively demanding in terms of memory for direct methods and challenging to solve by iterative methods. In this paper we address the iterative solution via preconditioned Krylov methods of electromagnetic scattering problems expressed in an integral formulation, with main focus on the design of the pre-conditioner. We consider an approximate inverse method based on the Frobenius-norm minimization with a pattern prescribed in advance. The pre-conditioner is constructed from a sparse approximation of the dense coefficient matrix, and the patterns both for the pre-conditioner and for the coefficient matrix are computed a priori using geometric information from the mesh. We describe the implementation of the approximate inverse in an out-of-core parallel code that uses multipole techniques for the matrix-vector products, and show results on the numerical scalability of our method on systems of size up to one million unknowns. We propose an embedded iterative scheme based on the GMRES method and combined with multipole techniques, aimed at improving the robustness of the approximate inverse for large problems. We prove by numerical experiments that the proposed scheme enables the solution of very large and difficult problems efficiently at reduced computational and memory cost. Finally we perform a preliminary study on a spectral two-level pre-conditioner to enhance the robustness of our method. This numerical technique exploits spectral information of the preconditioned systems to build a low rank-update of the pre-conditioner. (authors)
International Nuclear Information System (INIS)
Alleon, G.; Carpentieri, B.; Du, I.S.; Giraud, L.; Langou, J.; Martin, E.
2003-01-01
The boundary element method has become a popular tool for the solution of Maxwell's equations in electromagnetism. It discretizes only the surface of the radiating object and gives rise to linear systems that are smaller in size compared to those arising from finite element or finite difference discretizations. However, these systems are prohibitively demanding in terms of memory for direct methods and challenging to solve by iterative methods. In this paper we address the iterative solution via preconditioned Krylov methods of electromagnetic scattering problems expressed in an integral formulation, with main focus on the design of the pre-conditioner. We consider an approximate inverse method based on the Frobenius-norm minimization with a pattern prescribed in advance. The pre-conditioner is constructed from a sparse approximation of the dense coefficient matrix, and the patterns both for the pre-conditioner and for the coefficient matrix are computed a priori using geometric information from the mesh. We describe the implementation of the approximate inverse in an out-of-core parallel code that uses multipole techniques for the matrix-vector products, and show results on the numerical scalability of our method on systems of size up to one million unknowns. We propose an embedded iterative scheme based on the GMRES method and combined with multipole techniques, aimed at improving the robustness of the approximate inverse for large problems. We prove by numerical experiments that the proposed scheme enables the solution of very large and difficult problems efficiently at reduced computational and memory cost. Finally we perform a preliminary study on a spectral two-level pre-conditioner to enhance the robustness of our method. This numerical technique exploits spectral information of the preconditioned systems to build a low rank-update of the pre-conditioner. (authors)
Leung, Juliana Y.; Srinivasan, Sanjay
2016-09-01
Modeling transport process at large scale requires proper scale-up of subsurface heterogeneity and an understanding of its interaction with the underlying transport mechanisms. A technique based on volume averaging is applied to quantitatively assess the scaling characteristics of effective mass transfer coefficient in heterogeneous reservoir models. The effective mass transfer coefficient represents the combined contribution from diffusion and dispersion to the transport of non-reactive solute particles within a fluid phase. Although treatment of transport problems with the volume averaging technique has been published in the past, application to geological systems exhibiting realistic spatial variability remains a challenge. Previously, the authors developed a new procedure where results from a fine-scale numerical flow simulation reflecting the full physics of the transport process albeit over a sub-volume of the reservoir are integrated with the volume averaging technique to provide effective description of transport properties. The procedure is extended such that spatial averaging is performed at the local-heterogeneity scale. In this paper, the transport of a passive (non-reactive) solute is simulated on multiple reservoir models exhibiting different patterns of heterogeneities, and the scaling behavior of effective mass transfer coefficient (Keff) is examined and compared. One such set of models exhibit power-law (fractal) characteristics, and the variability of dispersion and Keff with scale is in good agreement with analytical expressions described in the literature. This work offers an insight into the impacts of heterogeneity on the scaling of effective transport parameters. A key finding is that spatial heterogeneity models with similar univariate and bivariate statistics may exhibit different scaling characteristics because of the influence of higher order statistics. More mixing is observed in the channelized models with higher-order continuity. It
Xiao-Li Ding; Juan J. Nieto
2018-01-01
In this paper, we investigate analytical solutions of multi-time scale fractional stochastic differential equations driven by fractional Brownian motions. We firstly decompose homogeneous multi-time scale fractional stochastic differential equations driven by fractional Brownian motions into independent differential subequations, and give their analytical solutions. Then, we use the variation of constant parameters to obtain the solutions of nonhomogeneous multi-time scale fractional stochast...
Testing linear growth rate formulas of non-scale endogenous growth models
Ziesemer, Thomas
2017-01-01
Endogenous growth theory has produced formulas for steady-state growth rates of income per capita which are linear in the growth rate of the population. Depending on the details of the models, slopes and intercepts are positive, zero or negative. Empirical tests have taken over the assumption of
High-performance small-scale solvers for linear Model Predictive Control
DEFF Research Database (Denmark)
Frison, Gianluca; Sørensen, Hans Henrik Brandenborg; Dammann, Bernd
2014-01-01
, with the two main research areas of explicit MPC and tailored on-line MPC. State-of-the-art solvers in this second class can outperform optimized linear-algebra libraries (BLAS) only for very small problems, and do not explicitly exploit the hardware capabilities, relying on compilers for that. This approach...
Towards TeV-scale electron-positron collisions: the Compact Linear Collider (CLIC)
Doebert, Steffen; Sicking, Eva
2018-02-01
The Compact Linear Collider (CLIC), a future electron-positron collider at the energy frontier, has the potential to change our understanding of the universe. Proposed to follow the Large Hardron Collider (LHC) programme at CERN, it is conceived for precision measurements as well as for searches for new phenomena.
Scale up of 2,4-dichlorophenol removal from aqueous solutions using Brassica napus hairy roots
Energy Technology Data Exchange (ETDEWEB)
Angelini, Vanina A. [Departamento de Biologia Molecular, FCEFQN, Universidad Nacional de Rio Cuarto, 5800 Rio Cuarto, Cordoba (Argentina); Orejas, Joaquin [Facultad de Ingenieria, Universidad Nacional de Rio Cuarto, 5800 Rio Cuarto, Cordoba (Argentina); Medina, Maria I. [Departamento de Biologia Molecular, FCEFQN, Universidad Nacional de Rio Cuarto, 5800 Rio Cuarto, Cordoba (Argentina); Agostini, Elizabeth, E-mail: eagostini@exa.unrc.edu.ar [Departamento de Biologia Molecular, FCEFQN, Universidad Nacional de Rio Cuarto, 5800 Rio Cuarto, Cordoba (Argentina)
2011-01-15
Research highlights: {yields}B. napus hairy roots were effectively used for a large scale removal of 2,4-DCP. {yields} High removal efficiencies were obtained (98%) in a short time (30 min). {yields} Roots were re-used for six consecutive cycles with high efficiency. {yields} Post removal solutions showed no toxicity. {yields} This method could be used for continuous and safe treatment of phenolic effluents. - Abstract: Chlorophenols are harmful pollutants, frequently found in the effluents of several industries. For this reason, many environmental friendly technologies are being explored for their removal from industrial wastewaters. The aim of the present work was to study the scale up of 2,4-dichlorophenol (2,4-DCP) removal from synthetic wastewater, using Brassica napus hairy roots and H{sub 2}O{sub 2} in a discontinuous stirred tank reactor. We have analyzed some operational conditions, because the scale up of such process was poorly studied. High removal efficiencies were obtained (98%) in a short time (30 min). When roots were re-used for six consecutive cycles, 2,4-DCP removal efficiency decreased from 98 to 86%, in the last cycle. After the removal process, the solutions obtained from the reactor were assessed for their toxicity using an acute test with Lactuca sativa L. seeds. Results suggested that the treated solution was less toxic than the parent solution, because neither inhibition of lettuce germination nor effects in root and hypocotyl lengths were observed. Therefore, we provide evidence that Brassica napus hairy roots could be effectively used to detoxify solutions containing 2,4-DCP and they have considerable potential for a large scale removal of this pollutant. Thus, this study could help to design a method for continuous and safe treatment of effluents containing chlorophenols.
Solution approach for a large scale personnel transport system for a large company in Latin America
Energy Technology Data Exchange (ETDEWEB)
Garzón-Garnica, Eduardo-Arturo; Caballero-Morales, Santiago-Omar; Martínez-Flores, José-Luis
2017-07-01
The present paper focuses on the modelling and solution of a large-scale personnel transportation system in Mexico where many routes and vehicles are currently used to service 525 points. The routing system proposed can be applied to many cities in the Latin-American region. Design/methodology/approach: This system was modelled as a VRP model considering the use of real-world transit times, and the fact that routes start at the farthest point from the destination center. Experiments were performed on different sized sets of service points. As the size of the instances was increased, the performance of the heuristic method was assessed in comparison with the results of an exact algorithm, the results remaining very close between both. When the size of the instance was full-scale and the exact algorithm took too much time to solve the problem, then the heuristic algorithm provided a feasible solution. Supported by the validation with smaller scale instances, where the difference between both solutions was close to a 6%, the full –scale solution obtained with the heuristic algorithm was considered to be within that same range. Findings: The proposed modelling and solving method provided a solution that would produce significant savings in the daily operation of the routes. Originality/value: The urban distribution of the cities in Latin America is unique to other regions in the world. The general layout of the large cities in this region includes a small town center, usually antique, and a somewhat disordered outer region. The lack of a vehicle-centered urban planning poses distinct challenges for vehicle routing problems in the region. The use of a heuristic VRP combined with the results of an exact VRP, allowed the obtention of an improved routing plan specific to the requirements of the region.
Solution approach for a large scale personnel transport system for a large company in Latin America
International Nuclear Information System (INIS)
Garzón-Garnica, Eduardo-Arturo; Caballero-Morales, Santiago-Omar; Martínez-Flores, José-Luis
2017-01-01
The present paper focuses on the modelling and solution of a large-scale personnel transportation system in Mexico where many routes and vehicles are currently used to service 525 points. The routing system proposed can be applied to many cities in the Latin-American region. Design/methodology/approach: This system was modelled as a VRP model considering the use of real-world transit times, and the fact that routes start at the farthest point from the destination center. Experiments were performed on different sized sets of service points. As the size of the instances was increased, the performance of the heuristic method was assessed in comparison with the results of an exact algorithm, the results remaining very close between both. When the size of the instance was full-scale and the exact algorithm took too much time to solve the problem, then the heuristic algorithm provided a feasible solution. Supported by the validation with smaller scale instances, where the difference between both solutions was close to a 6%, the full –scale solution obtained with the heuristic algorithm was considered to be within that same range. Findings: The proposed modelling and solving method provided a solution that would produce significant savings in the daily operation of the routes. Originality/value: The urban distribution of the cities in Latin America is unique to other regions in the world. The general layout of the large cities in this region includes a small town center, usually antique, and a somewhat disordered outer region. The lack of a vehicle-centered urban planning poses distinct challenges for vehicle routing problems in the region. The use of a heuristic VRP combined with the results of an exact VRP, allowed the obtention of an improved routing plan specific to the requirements of the region.
Solution approach for a large scale personnel transport system for a large company in Latin America
Directory of Open Access Journals (Sweden)
Eduardo-Arturo Garzón-Garnica
2017-10-01
Full Text Available Purpose: The present paper focuses on the modelling and solution of a large-scale personnel transportation system in Mexico where many routes and vehicles are currently used to service 525 points. The routing system proposed can be applied to many cities in the Latin-American region. Design/methodology/approach: This system was modelled as a VRP model considering the use of real-world transit times, and the fact that routes start at the farthest point from the destination center. Experiments were performed on different sized sets of service points. As the size of the instances was increased, the performance of the heuristic method was assessed in comparison with the results of an exact algorithm, the results remaining very close between both. When the size of the instance was full-scale and the exact algorithm took too much time to solve the problem, then the heuristic algorithm provided a feasible solution. Supported by the validation with smaller scale instances, where the difference between both solutions was close to a 6%, the full –scale solution obtained with the heuristic algorithm was considered to be within that same range. Findings: The proposed modelling and solving method provided a solution that would produce significant savings in the daily operation of the routes. Originality/value: The urban distribution of the cities in Latin America is unique to other regions in the world. The general layout of the large cities in this region includes a small town center, usually antique, and a somewhat disordered outer region. The lack of a vehicle-centered urban planning poses distinct challenges for vehicle routing problems in the region. The use of a heuristic VRP combined with the results of an exact VRP, allowed the obtention of an improved routing plan specific to the requirements of the region.
Scale up of 2,4-dichlorophenol removal from aqueous solutions using Brassica napus hairy roots
International Nuclear Information System (INIS)
Angelini, Vanina A.; Orejas, Joaquin; Medina, Maria I.; Agostini, Elizabeth
2011-01-01
Research highlights: →B. napus hairy roots were effectively used for a large scale removal of 2,4-DCP. → High removal efficiencies were obtained (98%) in a short time (30 min). → Roots were re-used for six consecutive cycles with high efficiency. → Post removal solutions showed no toxicity. → This method could be used for continuous and safe treatment of phenolic effluents. - Abstract: Chlorophenols are harmful pollutants, frequently found in the effluents of several industries. For this reason, many environmental friendly technologies are being explored for their removal from industrial wastewaters. The aim of the present work was to study the scale up of 2,4-dichlorophenol (2,4-DCP) removal from synthetic wastewater, using Brassica napus hairy roots and H 2 O 2 in a discontinuous stirred tank reactor. We have analyzed some operational conditions, because the scale up of such process was poorly studied. High removal efficiencies were obtained (98%) in a short time (30 min). When roots were re-used for six consecutive cycles, 2,4-DCP removal efficiency decreased from 98 to 86%, in the last cycle. After the removal process, the solutions obtained from the reactor were assessed for their toxicity using an acute test with Lactuca sativa L. seeds. Results suggested that the treated solution was less toxic than the parent solution, because neither inhibition of lettuce germination nor effects in root and hypocotyl lengths were observed. Therefore, we provide evidence that Brassica napus hairy roots could be effectively used to detoxify solutions containing 2,4-DCP and they have considerable potential for a large scale removal of this pollutant. Thus, this study could help to design a method for continuous and safe treatment of effluents containing chlorophenols.
Harvey, J. W.; Packman, A. I.
2010-12-01
Surface water and groundwater flow interact with the channel geomorphology and sediments in ways that determine how material is transported, stored, and transformed in stream corridors. Solute and sediment transport affect important ecological processes such as carbon and nutrient dynamics and stream metabolism, processes that are fundamental to stream health and function. Many individual mechanisms of transport and storage of solute and sediment have been studied, including surface water exchange between the main channel and side pools, hyporheic flow through shallow and deep subsurface flow paths, and sediment transport during both baseflow and floods. A significant challenge arises from non-linear and scale-dependent transport resulting from natural, fractal fluvial topography and associated broad, multi-scale hydrologic interactions. Connections between processes and linkages across scales are not well understood, imposing significant limitations on system predictability. The whole-stream tracer experimental approach is popular because of the spatial averaging of heterogeneous processes; however the tracer results, implemented alone and analyzed using typical models, cannot usually predict transport beyond the very specific conditions of the experiment. Furthermore, the results of whole stream tracer experiments tend to be biased due to unavoidable limitations associated with sampling frequency, measurement sensitivity, and experiment duration. We recommend that whole-stream tracer additions be augmented with hydraulic and topographic measurements and also with additional tracer measurements made directly in storage zones. We present examples of measurements that encompass interactions across spatial and temporal scales and models that are transferable to a wide range of flow and geomorphic conditions. These results show how the competitive effects between the different forces driving hyporheic flow, operating at different spatial scales, creates a situation
Imprint of non-linear effects on HI intensity mapping on large scales
Energy Technology Data Exchange (ETDEWEB)
Umeh, Obinna, E-mail: umeobinna@gmail.com [Department of Physics and Astronomy, University of the Western Cape, Cape Town 7535 (South Africa)
2017-06-01
Intensity mapping of the HI brightness temperature provides a unique way of tracing large-scale structures of the Universe up to the largest possible scales. This is achieved by using a low angular resolution radio telescopes to detect emission line from cosmic neutral Hydrogen in the post-reionization Universe. We use general relativistic perturbation theory techniques to derive for the first time the full expression for the HI brightness temperature up to third order in perturbation theory without making any plane-parallel approximation. We use this result and the renormalization prescription for biased tracers to study the impact of nonlinear effects on the power spectrum of HI brightness temperature both in real and redshift space. We show how mode coupling at nonlinear order due to nonlinear bias parameters and redshift space distortion terms modulate the power spectrum on large scales. The large scale modulation may be understood to be due to the effective bias parameter and effective shot noise.
Hung, Linda; Huang, Chen; Shin, Ilgyou; Ho, Gregory S.; Lignères, Vincent L.; Carter, Emily A.
2010-12-01
: Intel with ifort; AMD Opteron with pathf90 Operating system: Linux Has the code been vectorized or parallelized?: Yes. Parallelization is implemented through domain composition using MPI. RAM: Problem dependent, but 2 GB is sufficient for up to 10,000 ions. Classification: 7.3 External routines: FFTW 2.1.5 ( http://www.fftw.org) Catalogue identifier of previous version: AEBN_v1_0 Journal reference of previous version: Comput. Phys. Comm. 179 (2008) 839 Does the new version supersede the previous version?: Yes Nature of problem: Given a set of coordinates describing the initial ion positions under periodic boundary conditions, recovers the ground state energy, electron density, ion positions, and cell lattice vectors predicted by orbital-free density functional theory. The computation of all terms is effectively linear scaling. Parallelization is implemented through domain decomposition, and up to ˜10,000 ions may be included in the calculation on just a single processor, limited by RAM. For example, when optimizing the geometry of ˜50,000 aluminum ions (plus vacuum) on 48 cores, a single iteration of conjugate gradient ion geometry optimization takes ˜40 minutes wall time. However, each CG geometry step requires two or more electron density optimizations, so step times will vary. Solution method: Computes energies as described in text; minimizes this energy with respect to the electron density, ion positions, and cell lattice vectors. Reasons for new version: To allow much larger systems to be simulated using PROFESS. Restrictions: PROFESS cannot use nonlocal (such as ultrasoft) pseudopotentials. A variety of local pseudopotential files are available at the Carter group website ( http://www.princeton.edu/mae/people/faculty/carter/homepage/research/localpseudopotentials/). Also, due to the current state of the kinetic energy functionals, PROFESS is only reliable for main group metals and some properties of semiconductors. Running time: Problem dependent: the test
Directory of Open Access Journals (Sweden)
Chi-Chang Wang
2013-09-01
Full Text Available This paper seeks to use the proposed residual correction method in coordination with the monotone iterative technique to obtain upper and lower approximate solutions of singularly perturbed non-linear boundary value problems. First, the monotonicity of a non-linear differential equation is reinforced using the monotone iterative technique, then the cubic-spline method is applied to discretize and convert the differential equation into the mathematical programming problems of an inequation, and finally based on the residual correction concept, complex constraint solution problems are transformed into simpler questions of equational iteration. As verified by the four examples given in this paper, the method proposed hereof can be utilized to fast obtain the upper and lower solutions of questions of this kind, and to easily identify the error range between mean approximate solutions and exact solutions.
Wang, Fei; Yang, Fan; Tian, Yang; Liu, Jiawei; Shen, Jiwei; Bai, Quan
2018-01-01
A stoichiometric displacement model for retention (SDM-R) of small solutes and proteins based on hydrophilic interaction chromatography (HILIC) was presented. A linear equation that related the logarithm of the capacity factor of the solute to the logarithm of the concentration of water in the mobile phase was derived. The stoichiometric displacement parameters, Z (the number of water molecules required to displace a solute from ligands) and lgI (containing a number of constants that relate to the affinity of solute to the ligands) could be obtained from the slope and the intercept of the linear plots of lgk' vs. lg[H 2 O]. The retention behaviors and retention mechanism of 15 kinds of small solutes and 6 kinds of proteins on 5 kinds HILIC columns with different ligands were investigated with SDM-R in typical range of water concentration in mobile phase. A good linear relationship between lgk' and lg[H 2 O] demonstrated that the most rational retention mechanism of solute in HILIC was a stoichiometric displacement process between solute and solvent molecules with water as displacing agents, which was not only valid for small solutes, but also could be used to explain the retention mechanism of biopolymers in HILIC. Comparing with the partition and adsorption models in HILIC, SDM-R was superior to them. Copyright © 2017 Elsevier B.V. All rights reserved.
Periodic Solution of Second-Order Hamiltonian Systems with a Change Sign Potential on Time Scales
Directory of Open Access Journals (Sweden)
You-Hui Su
2009-01-01
Full Text Available This paper is concerned with the second-order Hamiltonian system on time scales 𝕋 of the form uΔΔ(ρ(t+μb(t|u(t|μ−2u(t+∇¯H(t,u(t=0, Δ-a.e. t∈[0,T]𝕋 , u(0−u(T=uΔ(ρ(0−uΔ(ρ(T=0, where 0,T∈𝕋. By using the minimax methods in critical theory, an existence theorem of periodic solution for the above system is established. As an application, an example is given to illustrate the result. This is probably the first time the existence of periodic solutions for second-order Hamiltonian system on time scales has been studied by critical theory.
Dynamical scaling in polymer solutions investigated by the neutron spin echo technique
International Nuclear Information System (INIS)
Richter, D.; Ewen, B.
1979-01-01
Chain dynamics in polymer solutions was investigated by means of the recently developed neutron spin echo spectroscopy. - By this technique, it was possible for the first time to verify unambiguously the scaling predictions of the Zimm model in the case of single chain behaviour and to observe the cross over to many chain behaviour. The segmental diffusion of single chains exhibits deviations from a simple exponential law, indicating the importance of memory effects. (orig.) [de
Murthy, Dhiraj; Bowman, S. A.
2014-01-01
Though full of promise, Big Data research success is often contingent on access to the newest, most advanced, and often expensive hardware systems and the expertise needed to build and implement such systems. As a result, the accessibility of the growing number of Big Data-capable technology solutions has often been the preserve of business analytics. Pay as you store/process services like Amazon Web Services have opened up possibilities for smaller scale Big Data projects. There is high dema...
Solution matching for a three-point boundary-value problem on atime scale
Directory of Open Access Journals (Sweden)
Martin Eggensperger
2004-07-01
Full Text Available Let $mathbb{T}$ be a time scale such that $t_1, t_2, t_3 in mathbb{T}$. We show the existence of a unique solution for the three-point boundary value problem $$displaylines{ y^{DeltaDeltaDelta}(t = f(t, y(t, y^Delta(t, y^{DeltaDelta}(t, quad t in [t_1, t_3] cap mathbb{T},cr y(t_1 = y_1, quad y(t_2 = y_2, quad y(t_3 = y_3,. }$$ We do this by matching a solution to the first equation satisfying a two-point boundary conditions on $[t_1, t_2] cap mathbb{T}$ with a solution satisfying a two-point boundary conditions on $[t_2, t_3] cap mathbb{T}$.
Luenser, Arne; Schurkus, Henry F; Ochsenfeld, Christian
2017-04-11
A reformulation of the random phase approximation within the resolution-of-the-identity (RI) scheme is presented, that is competitive to canonical molecular orbital RI-RPA already for small- to medium-sized molecules. For electronically sparse systems drastic speedups due to the reduced scaling behavior compared to the molecular orbital formulation are demonstrated. Our reformulation is based on two ideas, which are independently useful: First, a Cholesky decomposition of density matrices that reduces the scaling with basis set size for a fixed-size molecule by one order, leading to massive performance improvements. Second, replacement of the overlap RI metric used in the original AO-RPA by an attenuated Coulomb metric. Accuracy is significantly improved compared to the overlap metric, while locality and sparsity of the integrals are retained, as is the effective linear scaling behavior.
International Nuclear Information System (INIS)
Valat, J.
1960-12-01
Universal stability diagrams have been calculated and experimentally checked for Hill-Meissner type equations with square-wave coefficients. The study of these equations in the phase-plane has then made it possible to extend the periodic solution calculations to the case of non-linear differential equations with periodic square-wave coefficients. This theory has been checked experimentally. For non-linear coupled systems with constant coefficients, a search was first made for solutions giving an algebraic motion. The elliptical and Fuchs's functions solve such motions. The study of non-algebraic motions is more delicate, apart from the study of nonlinear Lissajous's motions. A functional analysis shows that it is possible however in certain cases to decouple the system and to find general solutions. For non-linear coupled systems with periodic square-wave coefficients it is then possible to calculate the conditions leading to periodic solutions, if the two non-linear associated systems with constant coefficients fall into one of the categories of the above paragraph. (author) [fr
A large-scale linear complementarity model of the North American natural gas market
International Nuclear Information System (INIS)
Gabriel, Steven A.; Jifang Zhuang; Kiet, Supat
2005-01-01
The North American natural gas market has seen significant changes recently due to deregulation and restructuring. For example, third party marketers can contract for transportation and purchase of gas to sell to end-users. While the intent was a more competitive market, the potential for market power exists. We analyze this market using a linear complementarity equilibrium model including producers, storage and peak gas operators, third party marketers and four end-use sectors. The marketers are depicted as Nash-Cournot players determining supply to meet end-use consumption, all other players are in perfect competition. Results based on National Petroleum Council scenarios are presented. (Author)
Lohans, Christopher T; Towle, Kaitlyn M; Miskolzie, Mark; McKay, Ryan T; van Belkum, Marco J; McMullen, Lynn M; Vederas, John C
2013-06-11
Leaderless bacteriocins are a class of ribosomally synthesized antimicrobial peptides that are produced by certain Gram-positive bacteria without an N-terminal leader section. These bacteriocins are of great interest due to their potent inhibition of many Gram-positive organisms, including food-borne pathogens such as Listeria and Clostridium spp. We now report the NMR solution structures of enterocins 7A and 7B, leaderless bacteriocins recently isolated from Enterococcus faecalis 710C. These are the first three-dimensional structures to be reported for bacteriocins of this class. Unlike most other linear Gram-positive bacteriocins, enterocins 7A and 7B are highly structured in aqueous conditions. Both peptides are primarily α-helical, adopting a similar overall fold. The structures can be divided into three separate α-helical regions: the N- and C-termini are both α-helical, separated by a central kinked α-helix. The overall structures bear an unexpected resemblance to carnocyclin A, a 60-residue peptide that is cyclized via an amide bond between the C- and N-termini and has a saposin fold. Because of synergism observed for other two-peptide leaderless bacteriocins, it was of interest to probe possible binding interactions between enterocins 7A and 7B. However, despite synergistic activity observed between these peptides, no significant binding interaction was observed based on NMR and isothermal calorimetry.
Barnett, Alex H.; Nelson, Bradley J.; Mahoney, J. Matthew
2015-09-01
We apply boundary integral equations for the first time to the two-dimensional scattering of time-harmonic waves from a smooth obstacle embedded in a continuously-graded unbounded medium. In the case we solve, the square of the wavenumber (refractive index) varies linearly in one coordinate, i.e. (Δ + E +x2) u (x1 ,x2) = 0 where E is a constant; this models quantum particles of fixed energy in a uniform gravitational field, and has broader applications to stratified media in acoustics, optics and seismology. We evaluate the fundamental solution efficiently with exponential accuracy via numerical saddle-point integration, using the truncated trapezoid rule with typically 102 nodes, with an effort that is independent of the frequency parameter E. By combining with a high-order Nyström quadrature, we are able to solve the scattering from obstacles 50 wavelengths across to 11 digits of accuracy in under a minute on a desktop or laptop.
Xiao, Lin; Liao, Bolin; Li, Shuai; Chen, Ke
2018-02-01
In order to solve general time-varying linear matrix equations (LMEs) more efficiently, this paper proposes two nonlinear recurrent neural networks based on two nonlinear activation functions. According to Lyapunov theory, such two nonlinear recurrent neural networks are proved to be convergent within finite-time. Besides, by solving differential equation, the upper bounds of the finite convergence time are determined analytically. Compared with existing recurrent neural networks, the proposed two nonlinear recurrent neural networks have a better convergence property (i.e., the upper bound is lower), and thus the accurate solutions of general time-varying LMEs can be obtained with less time. At last, various different situations have been considered by setting different coefficient matrices of general time-varying LMEs and a great variety of computer simulations (including the application to robot manipulators) have been conducted to validate the better finite-time convergence of the proposed two nonlinear recurrent neural networks. Copyright © 2017 Elsevier Ltd. All rights reserved.
The solution of linear systems of equations with a structural analysis code on the NAS CRAY-2
Poole, Eugene L.; Overman, Andrea L.
1988-01-01
Two methods for solving linear systems of equations on the NAS Cray-2 are described. One is a direct method; the other is an iterative method. Both methods exploit the architecture of the Cray-2, particularly the vectorization, and are aimed at structural analysis applications. To demonstrate and evaluate the methods, they were installed in a finite element structural analysis code denoted the Computational Structural Mechanics (CSM) Testbed. A description of the techniques used to integrate the two solvers into the Testbed is given. Storage schemes, memory requirements, operation counts, and reformatting procedures are discussed. Finally, results from the new methods are compared with results from the initial Testbed sparse Choleski equation solver for three structural analysis problems. The new direct solvers described achieve the highest computational rates of the methods compared. The new iterative methods are not able to achieve as high computation rates as the vectorized direct solvers but are best for well conditioned problems which require fewer iterations to converge to the solution.
International Nuclear Information System (INIS)
Hamann, Jan; Hannestad, Steen; Melchiorri, Alessandro; Wong, Yvonne Y Y
2008-01-01
We explore and compare the performances of two non-linear correction and scale-dependent biasing models for the extraction of cosmological information from galaxy power spectrum data, especially in the context of beyond-ΛCDM (CDM: cold dark matter) cosmologies. The first model is the well known Q model, first applied in the analysis of Two-degree Field Galaxy Redshift Survey data. The second, the P model, is inspired by the halo model, in which non-linear evolution and scale-dependent biasing are encapsulated in a single non-Poisson shot noise term. We find that while the two models perform equally well in providing adequate correction for a range of galaxy clustering data in standard ΛCDM cosmology and in extensions with massive neutrinos, the Q model can give unphysical results in cosmologies containing a subdominant free-streaming dark matter whose temperature depends on the particle mass, e.g., relic thermal axions, unless a suitable prior is imposed on the correction parameter. This last case also exposes the danger of analytic marginalization, a technique sometimes used in the marginalization of nuisance parameters. In contrast, the P model suffers no undesirable effects, and is the recommended non-linear correction model also because of its physical transparency
Hamann, Jan; Hannestad, Steen; Melchiorri, Alessandro; Wong, Yvonne Y. Y.
2008-07-01
We explore and compare the performances of two non-linear correction and scale-dependent biasing models for the extraction of cosmological information from galaxy power spectrum data, especially in the context of beyond-ΛCDM (CDM: cold dark matter) cosmologies. The first model is the well known Q model, first applied in the analysis of Two-degree Field Galaxy Redshift Survey data. The second, the P model, is inspired by the halo model, in which non-linear evolution and scale-dependent biasing are encapsulated in a single non-Poisson shot noise term. We find that while the two models perform equally well in providing adequate correction for a range of galaxy clustering data in standard ΛCDM cosmology and in extensions with massive neutrinos, the Q model can give unphysical results in cosmologies containing a subdominant free-streaming dark matter whose temperature depends on the particle mass, e.g., relic thermal axions, unless a suitable prior is imposed on the correction parameter. This last case also exposes the danger of analytic marginalization, a technique sometimes used in the marginalization of nuisance parameters. In contrast, the P model suffers no undesirable effects, and is the recommended non-linear correction model also because of its physical transparency.
Rai, Durgesh K.; Beaucage, Gregory; Ratkanthwar, Kedar; Beaucage, Peter; Ramachandran, Ramnath; Hadjichristidis, Nikolaos
2015-01-01
Star polymers provide model architectures to understand the dynamic and rheological effects of chain confinement for a range of complex topological structures like branched polymers, colloids, and micelles. It is important to describe the structure of such macromolecular topologies using small-angle neutron and x-ray scattering to facilitate understanding of their structure-property relationships. Modeling of scattering from linear, Gaussian polymers, such as in the melt, has applied the random phase approximation using the Debye polymer scattering function. The Flory-Huggins interaction parameter can be obtained using neutron scattering by this method. Gaussian scaling no longer applies for more complicated chain topologies or when chains are in good solvents. For symmetric star polymers, chain scaling can differ from ν=0.5(df=2) due to excluded volume, steric interaction between arms, and enhanced density due to branching. Further, correlation between arms in a symmetric star leads to an interference term in the scattering function first described by Benoit for Gaussian chains. In this work, a scattering function is derived which accounts for interarm correlations in symmetric star polymers as well as the polymer-solvent interaction parameter for chains of arbitrary scaling dimension using a hybrid Unified scattering function. The approach is demonstrated for linear, four-arm and eight-arm polyisoprene stars in deuterated p-xylene.
Rai, Durgesh K.
2015-07-15
Star polymers provide model architectures to understand the dynamic and rheological effects of chain confinement for a range of complex topological structures like branched polymers, colloids, and micelles. It is important to describe the structure of such macromolecular topologies using small-angle neutron and x-ray scattering to facilitate understanding of their structure-property relationships. Modeling of scattering from linear, Gaussian polymers, such as in the melt, has applied the random phase approximation using the Debye polymer scattering function. The Flory-Huggins interaction parameter can be obtained using neutron scattering by this method. Gaussian scaling no longer applies for more complicated chain topologies or when chains are in good solvents. For symmetric star polymers, chain scaling can differ from ν=0.5(df=2) due to excluded volume, steric interaction between arms, and enhanced density due to branching. Further, correlation between arms in a symmetric star leads to an interference term in the scattering function first described by Benoit for Gaussian chains. In this work, a scattering function is derived which accounts for interarm correlations in symmetric star polymers as well as the polymer-solvent interaction parameter for chains of arbitrary scaling dimension using a hybrid Unified scattering function. The approach is demonstrated for linear, four-arm and eight-arm polyisoprene stars in deuterated p-xylene.
Boddohi, Soheil; Killingsworth, Christopher; Kipper, Matt
2008-03-01
Chitosan (a weak polycation) and heparin (a strong polyanion) are used to make polyelectrolyte multilayers (PEM). PEM thickness and composition are determined as a function of solution pH (4.6 to 5.8) and ionic strength (0.1 to 0.5 M). Over this range, increasing pH increases the PEM thickness; however, the sensitivity to changes in pH is a strong function of ionic strength. The PEM thickness data are correlated to the polymer conformation in solution. Polyelectrolyte conformation in solution is characterized by gel permeation chromatography (GPC). The highest sensitivity of PEM structure to pH is obtained at intermediate ionic strength. Different interactions govern the conformation and adsorption phenomena at low and high ionic strength, leading to reduced sensitivity to solution pH at extreme ionic strengths. The correspondence between PEM thickness and polymer solution conformation offers opportunities to tune polymer thin film structure at the nanometer length scale by controlling simple, reproducible processing conditions.
A Systematic Multi-Time Scale Solution for Regional Power Grid Operation
Zhu, W. J.; Liu, Z. G.; Cheng, T.; Hu, B. Q.; Liu, X. Z.; Zhou, Y. F.
2017-10-01
Many aspects need to be taken into consideration in a regional grid while making schedule plans. In this paper, a systematic multi-time scale solution for regional power grid operation considering large scale renewable energy integration and Ultra High Voltage (UHV) power transmission is proposed. In the time scale aspect, we discuss the problem from month, week, day-ahead, within-day to day-behind, and the system also contains multiple generator types including thermal units, hydro-plants, wind turbines and pumped storage stations. The 9 subsystems of the scheduling system are described, and their functions and relationships are elaborated. The proposed system has been constructed in a provincial power grid in Central China, and the operation results further verified the effectiveness of the system.
Burgers' turbulence problem with linear or quadratic external potential
DEFF Research Database (Denmark)
Barndorff-Nielsen, Ole Eiler; Leonenko, N.N.
2005-01-01
We consider solutions of Burgers' equation with linear or quadratic external potential and stationary random initial conditions of Ornstein-Uhlenbeck type. We study a class of limit laws that correspond to a scale renormalization of the solutions.......We consider solutions of Burgers' equation with linear or quadratic external potential and stationary random initial conditions of Ornstein-Uhlenbeck type. We study a class of limit laws that correspond to a scale renormalization of the solutions....
Rapakoulia, Trisevgeni
2017-08-09
Motivation: Drug combination therapy for treatment of cancers and other multifactorial diseases has the potential of increasing the therapeutic effect, while reducing the likelihood of drug resistance. In order to reduce time and cost spent in comprehensive screens, methods are needed which can model additive effects of possible drug combinations. Results: We here show that the transcriptional response to combinatorial drug treatment at promoters, as measured by single molecule CAGE technology, is accurately described by a linear combination of the responses of the individual drugs at a genome wide scale. We also find that the same linear relationship holds for transcription at enhancer elements. We conclude that the described approach is promising for eliciting the transcriptional response to multidrug treatment at promoters and enhancers in an unbiased genome wide way, which may minimize the need for exhaustive combinatorial screens.
The Study of Non-Linear Acceleration of Particles during Substorms Using Multi-Scale Simulations
International Nuclear Information System (INIS)
Ashour-Abdalla, Maha
2011-01-01
To understand particle acceleration during magnetospheric substorms we must consider the problem on multple scales ranging from the large scale changes in the entire magnetosphere to the microphysics of wave particle interactions. In this paper we present two examples that demonstrate the complexity of substorm particle acceleration and its multi-scale nature. The first substorm provided us with an excellent example of ion acceleration. On March 1, 2008 four THEMIS spacecraft were in a line extending from 8 R E to 23 R E in the magnetotail during a very large substorm during which ions were accelerated to >500 keV. We used a combination of a global magnetohydrodynamic and large scale kinetic simulations to model the ion acceleration and found that the ions gained energy by non-adiabatic trajectories across the substorm electric field in a narrow region extending across the magnetotail between x = -10 R E and x = -15 R E . In this strip called the 'wall region' the ions move rapidly in azimuth and gain 100s of keV. In the second example we studied the acceleration of electrons associated with a pair of dipolarization fronts during a substorm on February 15, 2008. During this substorm three THEMIS spacecraft were grouped in the near-Earth magnetotail (x ∼-10 R E ) and observed electron acceleration of >100 keV accompanied by intense plasma waves. We used the MHD simulations and analytic theory to show that adiabatic motion (betatron and Fermi acceleration) was insufficient to account for the electron acceleration and that kinetic processes associated with the plasma waves were important.
Flexible non-linear predictive models for large-scale wind turbine diagnostics
DEFF Research Database (Denmark)
Bach-Andersen, Martin; Rømer-Odgaard, Bo; Winther, Ole
2017-01-01
We demonstrate how flexible non-linear models can provide accurate and robust predictions on turbine component temperature sensor data using data-driven principles and only a minimum of system modeling. The merits of different model architectures are evaluated using data from a large set...... of turbines operating under diverse conditions. We then go on to test the predictive models in a diagnostic setting, where the output of the models are used to detect mechanical faults in rotor bearings. Using retrospective data from 22 actual rotor bearing failures, the fault detection performance...... of the models are quantified using a structured framework that provides the metrics required for evaluating the performance in a fleet wide monitoring setup. It is demonstrated that faults are identified with high accuracy up to 45 days before a warning from the hard-threshold warning system....
Study of vibrations and stabilization of linear collider final doublets at the sub-nanometer scale
International Nuclear Information System (INIS)
Bolzon, B.
2007-11-01
CLIC is one of the current projects of high energy linear colliders. Vertical beam sizes of 0.7 nm at the time of the collision and fast ground motion of a few nanometers impose an active stabilization of the final doublets at a fifth of nanometer above 4 Hz. The majority of my work concerned vibrations and active stabilization study of cantilever and slim beams in order to be representative of the final doublets of CLIC. In a first part, measured performances of different types of vibration sensors associated to an appropriate instrumentation showed that accurate measurements of ground motion are possible from 0.1 Hz up to 2000 Hz on a quiet site. Also, electrochemical sensors answering a priori the specifications of CLIC can be incorporated in the active stabilization at a fifth of nanometer. In a second part, an experimental and numerical study of beam vibrations enabled to validate the efficiency of the numerical prediction incorporated then in the simulation of the active stabilization. Also, a study of the impact of ground motion and of acoustic noise on beam vibrations showed that an active stabilization is necessary at least up to 1000 Hz. In a third part, results on the active stabilization of a beam at its two first resonances are shown down to amplitudes of a tenth of nanometer above 4 Hz by using in parallel a commercial system performing passive and active stabilization of the clamping. The last part is related to a study of a support for the final doublets of a linear collider prototype in phase of finalization, the ATF2 prototype. This work showed that relative motion between this support and the ground is below imposed tolerances (6 nm above 0.1 Hz) with appropriate boundary conditions. (author)
International Nuclear Information System (INIS)
Das, R.N.
1980-01-01
The key equation which commonly appears for radiative transfer in a finite stellar atmosphere having ground reflection according to Lambert's law is considered in this paper. The exact solution of this equation is obtained for surface quantities in terms of the X-Y equations of Chandrasekhar by the method of Laplace transform and linear singular operators. This exact method is widely applicable for obtaining the solution for surface quantities in a finite atmosphere. (orig.)
Chapter 6. Scaling Up Solutions to State, National and Global Levels
Directory of Open Access Journals (Sweden)
Daniel Kammen
2016-12-01
Full Text Available Scaling-up solutions require learning and adapting lessons between locations and at different scales. To accomplish this, common metrics are vital to building a shared language. For California, this has meant careful financial, cradle-to-grave life-cycle assessment methods leading to carbon accounting in many avenues of government (via the Low Carbon Fuel Standard or the Cap and Trade program. These methods themselves interact, such as the use of carbon accounting for the resources needed to manage water and other key resources; the use of criteria air pollution monitoring to identify environmental injustices; and the use of carbon market revenues to address these inequalities, through investment in best available abatement technologies (BACT and in job creation in disadvantaged communities anticipated in the emerging clean energy sector. Creating interdisciplinary partnerships across the UC Campuses and the National Laboratories to innovate science and technology is critical to scalable carbon neutrality solutions. As an example, we can build coordinated research and development programs across UC and California, with strong partnerships with the Federal government to coordinate and “multiply” resources that accelerate development and deployment. These partnerships should be strongly goal-focused, i.e., they are created to solve specific, large problems, to enable quantitatively measurable outcomes within energy generation, efficiency and CO2 abatement categories. Intersectoral partnerships should be fostered across campuses, laboratories, with state, federal and multi-lateral organizations funding to develop technologies and deploy solutions at scale. Integrated partnerships with industry are required to influence markets, deploy solutions, and create new industries and jobs. Beyond California, we need to establish consortia with industry and foundations to deploy solutions at the regional, state, national, and international scale to
Directory of Open Access Journals (Sweden)
Chen Qi
2013-07-01
Full Text Available Non-linear chirp scaling (NLCS is a feasible method to deal with time-variant frequency modulation (FM rate problem in synthetic aperture radar (SAR imaging. However, approximations in derivation of NLCS spectrum lead to performance decline in some cases. Presented is the exact spectrum of the NLCS function. Simulation with a geosynchronous synthetic aperture radar (GEO-SAR configuration is implemented. The results show that using the presented spectrum can significantly improve imaging performance, and the NLCS algorithm is suitable for GEO-SAR imaging after modification.
Self-interacting inelastic dark matter: a viable solution to the small scale structure problems
Energy Technology Data Exchange (ETDEWEB)
Blennow, Mattias; Clementz, Stefan; Herrero-Garcia, Juan, E-mail: emb@kth.se, E-mail: scl@kth.se, E-mail: juan.herrero-garcia@adelaide.edu.au [Department of Physics, School of Engineering Sciences, KTH Royal Institute of Technology, AlbaNova University Center, 106 91 Stockholm (Sweden)
2017-03-01
Self-interacting dark matter has been proposed as a solution to the small-scale structure problems, such as the observed flat cores in dwarf and low surface brightness galaxies. If scattering takes place through light mediators, the scattering cross section relevant to solve these problems may fall into the non-perturbative regime leading to a non-trivial velocity dependence, which allows compatibility with limits stemming from cluster-size objects. However, these models are strongly constrained by different observations, in particular from the requirements that the decay of the light mediator is sufficiently rapid (before Big Bang Nucleosynthesis) and from direct detection. A natural solution to reconcile both requirements are inelastic endothermic interactions, such that scatterings in direct detection experiments are suppressed or even kinematically forbidden if the mass splitting between the two-states is sufficiently large. Using an exact solution when numerically solving the Schrödinger equation, we study such scenarios and find regions in the parameter space of dark matter and mediator masses, and the mass splitting of the states, where the small scale structure problems can be solved, the dark matter has the correct relic abundance and direct detection limits can be evaded.
Linear perturbation theory for tidal streams and the small-scale CDM power spectrum
Bovy, Jo; Erkal, Denis; Sanders, Jason L.
2017-04-01
Tidal streams in the Milky Way are sensitive probes of the population of low-mass dark matter subhaloes predicted in cold dark matter (CDM) simulations. We present a new calculus for computing the effect of subhalo fly-bys on cold streams based on the action-angle representation of streams. The heart of this calculus is a line-of-parallel-angle approach that calculates the perturbed distribution function of a stream segment by undoing the effect of all relevant impacts. This approach allows one to compute the perturbed stream density and track in any coordinate system in minutes for realizations of the subhalo distribution down to 105 M⊙, accounting for the stream's internal dispersion and overlapping impacts. We study the statistical properties of density and track fluctuations with large suites of simulations of the effect of subhalo fly-bys. The one-dimensional density and track power spectra along the stream trace the subhalo mass function, with higher mass subhaloes producing power only on large scales, while lower mass subhaloes cause structure on smaller scales. We also find significant density and track bispectra that are observationally accessible. We further demonstrate that different projections of the track all reflect the same pattern of perturbations, facilitating their observational measurement. We apply this formalism to data for the Pal 5 stream and make a first rigorous determination of 10^{+11}_{-6} dark matter subhaloes with masses between 106.5 and 109 M⊙ within 20 kpc from the Galactic centre [corresponding to 1.4^{+1.6}_{-0.9} times the number predicted by CDM-only simulations or to fsub(r matter is clumpy on the smallest scales relevant for galaxy formation.
Theoretical explanation of present mirror experiments and linear stability of larger scaled machines
International Nuclear Information System (INIS)
Berk, H.L.; Baldwin, D.E.; Cutler, T.A.; Lodestro, L.L.; Maron, N.; Pearlstein, L.D.; Rognlien, T.D.; Stewart, J.J.; Watson, D.C.
1976-01-01
A quasilinear model for the evolution of the 2XIIB mirror experiment is presented and shown to reproduce the time evolution of the experiment. From quasilinear theory it follows that the energy lifetime is the Spitzer electron drag time for T/sub e/ approximately less than 0.1T/sub i/. By computing the stability boundary of the DCLC mode, with warm plasma stabilization, the electron temperature is predicted as a function of radial scale length. In addition, the effect of finite length corrections to the Alfven cyclotron mode is assessed
Directory of Open Access Journals (Sweden)
Ulaş Yurtsever
2017-03-01
Full Text Available In this study, an experimental system entailing ciprofloxacin hydrochloride (CIP removal from aqueous solution is modeled by using artificial neural networks (ANNs. For modeling of CIP removal from aqueous solution using bentonite and activated carbon, we utilized the combination of output-dependent data scaling (ODDS with ANN, and the combination of ODDS with multivariable linear regression model (MVLR. The ANN model normalized via ODDS performs better in comparison with the ANN model scaled via standard normalization. Four distinct hybrid models, ANN with standard normalization, ANN with ODDS, MVLR with standard normalization, and MVLR with ODDS, were also applied. We observed that ANN and MVLR estimations’ consistency, accuracy ratios and model performances increase as a result of pre-processing with ODDS.
DEFF Research Database (Denmark)
D'Souza, Sonia; Rasmussen, John; Schwirtz, Ansgar
2012-01-01
and valuable ergonomic tool. Objective: To investigate age and gender effects on the torque-producing ability in the knee and elbow in older adults. To create strength scaled equations based on age, gender, upper/lower limb lengths and masses using multiple linear regression. To reduce the number of dependent...... flexors. Results: Males were signifantly stronger than females across all age groups. Elbow peak torque (EPT) was better preserved from 60s to 70s whereas knee peak torque (KPT) reduced significantly (PGender, thigh mass and age best...... predicted KPT (R2=0.60). Gender, forearm mass and age best predicted EPT (R2=0.75). Good crossvalidation was established for both elbow and knee models. Conclusion: This cross-sectional study of muscle strength created and validated strength scaled equations of EPT and KPT using only gender, segment mass...
Compilation of field-scale caisson data on solute transport in the unsaturated zone
International Nuclear Information System (INIS)
Polzer, W.L.; Essington, E.H.; Fuentes, H.R.; Nyhan, J.W.
1986-11-01
Los Alamos National Laboratory has conducted technical support studies to assess siting requirements mandated by Nuclear Regulatory Commission in 10 CFR Part 61. Field-scale transport studies were conducted under unsaturated moisture conditions and under steady and unsteady flow conditions in large caissons located and operated in a natural (field) environment. Moisture content, temperature, flow rate, base-line chemical, tracer influent, and tracer breakthrough data collected during tracer migration studies in the caisson are compiled in tables and graphs. Data suggest that the imposition of a period of drainage (influent solution flow was stopped) may cause an increase in tracer concentration in the soil solution at various sampling points in the caisson. Evaporation during drainage and diffusion of the tracers from immobile to mobile water are two phenomena that could explain the increase. Data also suggest that heterogeneity of sorption sites may increase the variability in transport of sorbing tracers compared with nonsorbing tracers
International Nuclear Information System (INIS)
Rockhold, M.L.
1993-02-01
A field-scale, unsaturated flow and solute transport experiment at the Las Cruces trench site in New Mexico was simulated as part of a ''blind'' modeling exercise to demonstrate the ability or inability of uncalibrated models to predict unsaturated flow and solute transport in spatially variable porous media. Simulations were conducted using a recently developed multiphase flow and transport simulator. Uniform and heterogeneous soil models were tested, and data from a previous experiment at the site were used with an inverse procedure to estimate water retention parameters. A spatial moment analysis was used to provide a quantitative basis for comparing the mean observed and simulated flow and transport behavior. The results of this study suggest that defensible predictions of waste migration and fate at low-level waste sites will ultimately require site-specific data for model calibration
Strength and reversibility of stereotypes for a rotary control with linear scales.
Chan, Alan H S; Chan, W H
2008-02-01
Using real mechanical controls, this experiment studied strength and reversibility of direction-of-motion stereotypes and response times for a rotary control with horizontal and vertical scales. Thirty-eight engineering undergraduates (34 men and 4 women) ages 23 to 47 years (M=29.8, SD=7.7) took part in the experiment voluntarily. The effects of instruction of change of pointer position and control plane on movement compatibility were analyzed with precise quantitative measures of strength and a reversibility index of stereotype. Comparisons of the strength and reversibility values of these two configurations with those of rotary control-circular display, rotary control-digital counter, four-way lever-circular display, and four-way lever-digital counter were made. The results of this study provided significant implications for the industrial design of control panels for improved human performance.
Quantifying feedforward control: a linear scaling model for fingertip forces and object weight.
Lu, Ying; Bilaloglu, Seda; Aluru, Viswanath; Raghavan, Preeti
2015-07-01
The ability to predict the optimal fingertip forces according to object properties before the object is lifted is known as feedforward control, and it is thought to occur due to the formation of internal representations of the object's properties. The control of fingertip forces to objects of different weights has been studied extensively by using a custom-made grip device instrumented with force sensors. Feedforward control is measured by the rate of change of the vertical (load) force before the object is lifted. However, the precise relationship between the rate of change of load force and object weight and how it varies across healthy individuals in a population is not clearly understood. Using sets of 10 different weights, we have shown that there is a log-linear relationship between the fingertip load force rates and weight among neurologically intact individuals. We found that after one practice lift, as the weight increased, the peak load force rate (PLFR) increased by a fixed percentage, and this proportionality was common among the healthy subjects. However, at any given weight, the level of PLFR varied across individuals and was related to the efficiency of the muscles involved in lifting the object, in this case the wrist and finger extensor muscles. These results quantify feedforward control during grasp and lift among healthy individuals and provide new benchmarks to interpret data from neurologically impaired populations as well as a means to assess the effect of interventions on restoration of feedforward control and its relationship to muscular control. Copyright © 2015 the American Physiological Society.
Directory of Open Access Journals (Sweden)
Yanmei Sun
2012-01-01
Full Text Available By using the Leggett-Williams fixed theorem, we establish the existence of multiple positive solutions for second-order nonhomogeneous Sturm-Liouville boundary value problems with linear functional boundary conditions. One explicit example with singularity is presented to demonstrate the application of our main results.
Brem, Gerrit; Brouwers, J.J.H.
1990-01-01
In Part I, analytical solutions were given for the non-linear isothermal heterogeneous conversion of a porous solid particle. Account was taken of a reaction rate of general order with respect to the gas reactant, intrinsic reaction surface area and effective pore diffusion, which change with solid
Brem, G.; Brouwers, J.J.H.
1990-01-01
In Part I, analytical solutions were given for the non-linear isothermal heterogeneous conversion of a porous solid particle. Account was taken of a reaction rate of general order with respect to the gas reactant, intrinsic reaction surface area and effective pore diffusion, which change with solid
Energy Technology Data Exchange (ETDEWEB)
Stepinski, Dominique C. [Argonne National Lab. (ANL), Argonne, IL (United States); Vandegrift, G. F. [Argonne National Lab. (ANL), Argonne, IL (United States)
2015-09-30
Argonne is assisting SHINE Medical Technologies (SHINE) in their efforts to develop SHINE, an accelerator-driven process that will utilize a uranyl-sulfate solution for the production of fission product Mo-99. An integral part of the process is the development of a column for the separation and recovery of Mo-99, followed by a concentration column to reduce the product volume from 15-25 L to <1 L. Argonne has collected data from batch studies and breakthrough column experiments to utilize the VERSE (Versatile Reaction Separation) simulation program (Purdue University) to design plant-scale product recovery and concentration processes.
Mixing of Process Heels, Process Solutions and Recycle Streams: Small-Scale Simulant
International Nuclear Information System (INIS)
Kaplan, D.I.
2001-01-01
The overall objective of this small-scale simulant mixing study was to identify the processes within the Hanford Site River Protection Project - Waste Treatment Plant (RPP-WTP) that may generate precipitates and to identify the types of precipitates formed. This information can be used to identify where mixtures of various solutions will cause precipitation of solids, potentially causing operational problems such as fouling equipment or increasing the amount of High Level Waste glass produced. Having this information will help guide protocols for flushing or draining tanks, mixing internal recycle streams, and mixing waste tank supernates. This report contains the discussion and thermodynamic chemical speciation modeling of the raw data
Meso-scale Modeling of Block Copolymers Self-Assembly in Casting Solutions for Membrane Manufacture
Moreno Chaparro, Nicolas
2016-05-01
Isoporous membranes manufactured from diblock copolymer are successfully produced at laboratory scale under controlled conditions. Because of the complex phenomena involved, membrane preparation requires trial and error methodologies to find the optimal conditions, leading to a considerable demand of resources. Experimental insights demonstrate that the self-assembly of the block copolymers in solution has an effect on the final membrane structure. Nevertheless, the complete understanding of these multi-scale phenomena is elusive. Herein we use the coarse-grained method Dissipative Particle Dynamics to study the self-assembly of block copolymers that are used for the preparation of the membranes. To simulate representative time and length scales, we introduce a framework for model reduction of polymer chain representations for dissipative particle dynamics, which preserves the properties governing the phase equilibria. We reduce the number of degrees of freedom by accounting for the correlation between beads in fine-grained models via power laws and the consistent scaling of the simulation parameters. The coarse-graining models are consistent with the experimental evidence, showing a morphological transition of the aggregates as the polymer concentration and solvent affinity change. We show that hexagonal packing of the micelles can occur in solution within different windows of polymer concentration depending on the solvent affinity. However, the shape and size dispersion of the micelles determine the characteristic arrangement. We describe the order of crew-cut micelles using a rigid-sphere approximation and propose different phase parameters that characterize the emergence of monodisperse-spherical micelles in solution. Additionally, we investigate the effect of blending asymmetric diblock copolymers (AB/AC) over the properties of the membranes. We observe that the co-assembly mechanism localizes the AC molecules at the interface of A and B domains, and induces
International Nuclear Information System (INIS)
Sergienko, I.V.; Golodnikov, A.N.
1984-01-01
This article applies the methods of decompositions, which are used to solve continuous linear problems, to integer and partially integer problems. The fall-vector method is used to solve the obtained coordinate problems. An algorithm of the fall-vector is described. The Kornai-Liptak decomposition principle is used to reduce the integer linear programming problem to integer linear programming problems of a smaller dimension and to a discrete coordinate problem with simple constraints
Transfer of reactive solutes in the unsaturated zone of soils at several observation scales
International Nuclear Information System (INIS)
Limousin, G.
2006-10-01
The transfer of contaminants in the unsaturated zone of soils is driven by numerous mechanisms. Field studies are sometimes difficult to set up, and so the question is raised about the reliability of laboratory measurements for describing a field situation. The nuclear power plant at Brennilis (Finistere, France) has been chosen to study the transfer of strontium, cobalt and inert tracers in the soil of this industrial site. Several observation scales have been tested (batch, stirred flow-through reactor, sieved-soil column, un-repacked or repacked soil-core lysimeter, field experiments) in order to determine, at each scale, the factors that influence the transfer of these contaminants, then to verify the adequacy between the different observation scales and their field representativeness. Regarding the soil hydrodynamic properties, the porosity, the water content in the field, the pore water velocity at the water content in the field, the saturation hydraulic conductivity and the dispersion coefficient of this embanked soil are spatially less heterogeneous than those of agricultural or non-anthropic soils. The results obtained with lysimeter and field experiments suggest that hydrodynamics of this unstructured soil can be studied on a repacked sample if the volume is high compared to the rare big-size stones. Regarding the chemical soil-contaminant interactions, cobalt and strontium isotherms are non-linear at concentration higher than 10 -4 mol.L -1 , cobalt adsorption and desorption are fast and independent on pH. On the contrary, at concentration lower than 3.5 x 10 -6 mol.L -1 , cobalt and strontium isotherms are linear, cobalt desorption is markedly slower than adsorption and both cobalt partition coefficient at equilibrium and its reaction kinetics are highly pH-dependent. For both elements, the results obtained with batch, stirred flow-through reactor and sieved-soil column are in adequacy. However, strontium batch adsorption measurements at equilibrium do
Alconis, Jenalyn; Eco, Rodrigo; Mahar Francisco Lagmay, Alfredo; Lester Saddi, Ivan; Mongaya, Candeze; Figueroa, Kathleen Gay
2014-05-01
In response to the slew of disasters that devastates the Philippines on a regular basis, the national government put in place a program to address this problem. The Nationwide Operational Assessment of Hazards, or Project NOAH, consolidates the diverse scientific research being done and pushes the knowledge gained to the forefront of disaster risk reduction and management. Current activities of the project include installing rain gauges and water level sensors, conducting LIDAR surveys of critical river basins, geo-hazard mapping, and running information education campaigns. Approximately 700 automated weather stations and rain gauges installed in strategic locations in the Philippines hold the groundwork for the rainfall visualization system in the Project NOAH web portal at http://noah.dost.gov.ph. The system uses near real-time data from these stations installed in critical river basins. The sensors record the amount of rainfall in a particular area as point data updated every 10 to 15 minutes. The sensor sends the data to a central server either via GSM network or satellite data transfer for redundancy. The web portal displays the sensors as a placemarks layer on a map. When a placemark is clicked, it displays a graph of the rainfall data for the past 24 hours. The rainfall data is harvested by batch determined by a one-hour time frame. The program uses linear interpolation as the methodology implemented to visually represent a near real-time rainfall map. The algorithm allows very fast processing which is essential in near real-time systems. As more sensors are installed, precision is improved. This visualized dataset enables users to quickly discern where heavy rainfall is concentrated. It has proven invaluable on numerous occasions, such as last August 2013 when intense to torrential rains brought about by the enhanced Southwest Monsoon caused massive flooding in Metro Manila. Coupled with observations from Doppler imagery and water level sensors along the
Naturalness in low-scale SUSY models and "non-linear" MSSM
Antoniadis, I; Ghilencea, D M
2014-01-01
In MSSM models with various boundary conditions for the soft breaking terms (m_{soft}) and for a higgs mass of 126 GeV, there is a (minimal) electroweak fine-tuning Delta\\approx 800 to 1000 for the constrained MSSM and Delta\\approx 500 for non-universal gaugino masses. These values, often regarded as unacceptably large, may indicate a problem of supersymmetry (SUSY) breaking, rather than of SUSY itself. A minimal modification of these models is to lower the SUSY breaking scale in the hidden sector (\\sqrt f) to few TeV, which we show to restore naturalness to more acceptable levels Delta\\approx 80 for the most conservative case of low tan_beta and ultraviolet boundary conditions as in the constrained MSSM. This is done without introducing additional fields in the visible sector, unlike other models that attempt to reduce Delta. In the present case Delta is reduced due to additional (effective) quartic higgs couplings proportional to the ratio m_{soft}/(\\sqrt f) of the visible to the hidden sector SUSY breaking...
The large-scale gravitational bias from the quasi-linear regime.
Bernardeau, F.
1996-08-01
It is known that in gravitational instability scenarios the nonlinear dynamics induces non-Gaussian features in cosmological density fields that can be investigated with perturbation theory. Here, I derive the expression of the joint moments of cosmological density fields taken at two different locations. The results are valid when the density fields are filtered with a top-hat filter window function, and when the distance between the two cells is large compared to the smoothing length. In particular I show that it is possible to get the generating function of the coefficients C_p,q_ defined by _c_=C_p,q_ ^p+q-2^ where δ({vec}(x)) is the local smoothed density field. It is then possible to reconstruct the joint density probability distribution function (PDF), generalizing for two points what has been obtained previously for the one-point density PDF. I discuss the validity of the large separation approximation in an explicit numerical Monte Carlo integration of the C_2,1_ parameter as a function of |{vec}(x)_1_-{vec}(x)_2_|. A straightforward application is the calculation of the large-scale ``bias'' properties of the over-dense (or under-dense) regions. The properties and the shape of the bias function are presented in details and successfully compared with numerical results obtained in an N-body simulation with CDM initial conditions.
Directory of Open Access Journals (Sweden)
Xiao-Li Ding
2018-01-01
Full Text Available In this paper, we investigate analytical solutions of multi-time scale fractional stochastic differential equations driven by fractional Brownian motions. We firstly decompose homogeneous multi-time scale fractional stochastic differential equations driven by fractional Brownian motions into independent differential subequations, and give their analytical solutions. Then, we use the variation of constant parameters to obtain the solutions of nonhomogeneous multi-time scale fractional stochastic differential equations driven by fractional Brownian motions. Finally, we give three examples to demonstrate the applicability of our obtained results.
Directory of Open Access Journals (Sweden)
Masatoshi Hasegawa
2017-10-01
Full Text Available This paper reviews the development of new high-temperature polymeric materials applicable to plastic substrates in image display devices with a focus on our previous results. Novel solution-processable colorless polyimides (PIs with ultra-low linear coefficients of thermal expansion (CTE are proposed in this paper. First, the principles of the coloration of PI films are briefly discussed, including the influence of the processing conditions on the film coloration, as well as the chemical and physical factors dominating the low CTE characteristics of the resultant PI films to clarify the challenges in simultaneously achieving excellent optical transparency, a very high Tg, a very low CTE, and excellent film toughness. A possible approach of achieving these target properties is to use semi-cycloaliphatic PI systems consisting of linear chain structures. However, semi-cycloaliphatic PIs obtained using cycloaliphatic diamines suffer various problems during precursor polymerization, cyclodehydration (imidization, and film preparation. In particular, when using trans-1,4-cyclohexanediamine (t-CHDA as the cycloaliphatic diamine, a serious problem emerges: salt formation in the initial stages of the precursor polymerization, which terminates the polymerization in some cases or significantly extends the reaction period. The system derived from 3,3′,4,4′-biphenyltetracarboxylic dianhydride (s-BPDA and t-CHDA can be polymerized by a controlled heating method and leads to a PI film with relatively good properties, i.e., excellent light transmittance at 400 nm (T400 = ~80%, a high Tg (>300 °C, and a very low CTE (10 ppm·K−1. However, this PI film is somewhat brittle (the maximum elongation at break, εb max is about 10%. On the other hand, the combination of cycloaliphatic tetracarboxylic dianhydrides and aromatic diamines does not result in salt formation. The steric structures of cycloaliphatic tetracarboxylic dianhydrides significantly influence
Larin, S.V.; Lyulin, S.V.; Lyulin, A.V.; Darinskii, A.A.
2009-01-01
Complexes of fully ionized third-generation dendrimers with oppositely charged linear polyelectrolyte chains are studied by the Brownian dynamics method. A freely jointed model of a dendrimer and a linear chain is used. Electrostatic interactions are considered within the Debye-Hückel approximation
Koval, I.A.; Akhideno, H.; Tanase, S.; Belle, C.; Duboc, C.; Saint-Aman, E.; Gamez, P.; Tooke, D.M.; Spek, A.L.; Pierre, J.-L.; Reedijk, J.
2007-01-01
A linear trinuclear copper(II) complex containing phenoxido- and alkoxido-bridges between the metal centers has been isolated and structurally characterized. The complex cation consists of a linear array of three copper ions, assembled by means of two doubly deprotonated ligands. The octahedral
International Nuclear Information System (INIS)
Gaudry, Jean-Baptiste
2000-01-01
This research thesis reports the study of two mechanisms of non linear interaction of a laser wave with matter. More particularly, it reports the experimental investigation of non linear optical properties of organometallic molecules in solution, as well as the damage of perfect silica under laser irradiation by using simulation codes. As far as optical properties are concerned, the author highlights the influence of the electronic configuration of the metal present in the organometallic compound, and the influence of the ligand on the second-order non-linear response. As far as the simulation is concerned, some experimental results have been reproduced. This work can be useful for the investigation of the extrinsic damage of imperfect materials, and for the design of experiments of transient measurements of excited silica [fr
Wilkinson, Karl A; Hine, Nicholas D M; Skylaris, Chris-Kriton
2014-11-11
We present a hybrid MPI-OpenMP implementation of Linear-Scaling Density Functional Theory within the ONETEP code. We illustrate its performance on a range of high performance computing (HPC) platforms comprising shared-memory nodes with fast interconnect. Our work has focused on applying OpenMP parallelism to the routines which dominate the computational load, attempting where possible to parallelize different loops from those already parallelized within MPI. This includes 3D FFT box operations, sparse matrix algebra operations, calculation of integrals, and Ewald summation. While the underlying numerical methods are unchanged, these developments represent significant changes to the algorithms used within ONETEP to distribute the workload across CPU cores. The new hybrid code exhibits much-improved strong scaling relative to the MPI-only code and permits calculations with a much higher ratio of cores to atoms. These developments result in a significantly shorter time to solution than was possible using MPI alone and facilitate the application of the ONETEP code to systems larger than previously feasible. We illustrate this with benchmark calculations from an amyloid fibril trimer containing 41,907 atoms. We use the code to study the mechanism of delamination of cellulose nanofibrils when undergoing sonification, a process which is controlled by a large number of interactions that collectively determine the structural properties of the fibrils. Many energy evaluations were needed for these simulations, and as these systems comprise up to 21,276 atoms this would not have been feasible without the developments described here.
Ohlsson, Gabriel; Tabaei, Seyed R; Beech, Jason; Kvassman, Jan; Johanson, Urban; Kjellbom, Per; Tegenfeldt, Jonas O; Höök, Fredrik
2012-11-21
Screening assays designed to probe ligand and drug-candidate regulation of membrane proteins responsible for ion-translocation across the cell membrane are wide spread, while efficient means to screen membrane-protein facilitated transport of uncharged solutes are sparse. We report on a microfluidic-based system to monitor transport of uncharged solutes across the membrane of multiple (>100) individually resolved surface-immobilized liposomes. This was accomplished by rapidly switching (solution above dye-containing liposomes immobilized on the floor of a microfluidic channel. With liposomes encapsulating the pH-sensitive dye carboxyfluorescein (CF), internal changes in pH induced by transport of a weak acid (acetic acid) could be measured at time scales down to 25 ms. The applicability of the set up to study biological transport reactions was demonstrated by examining the osmotic water permeability of human aquaporin (AQP5) reconstituted in proteoliposomes. In this case, the rate of osmotic-induced volume changes of individual proteoliposomes was time resolved by imaging the self quenching of encapsulated calcein in response to an osmotic gradient. Single-liposome analysis of both pure and AQP5-containing liposomes revealed a relatively large heterogeneity in osmotic permeability. Still, in the case of AQP5-containing liposomes, the single liposome data suggest that the membrane-protein incorporation efficiency depends on liposome size, with higher incorporation efficiency for larger liposomes. The benefit of low sample consumption and automated liquid handling is discussed in terms of pharmaceutical screening applications.
A solution to the economic dispatch using EP based SA algorithm on large scale power system
Energy Technology Data Exchange (ETDEWEB)
Christober Asir Rajan, C. [Department of EEE, Pondicherry Engineering College, Pondicherry 605 014 (India)
2010-07-15
This paper develops a new approach for solving the Economic Load Dispatch (ELD) using an integrated algorithm based on Evolutionary Programming (EP) and Simulated Annealing (SA) on large scale power system. Classical methods employed for solving Economic Load Dispatch are calculus-based. For generator units having quadratic fuel cost functions, the classical techniques ignore or flatten out the portions of the incremental fuel cost curves and so may be have difficulties in the determination of the global optimum solution for non-differentiable fuel cost functions. To overcome these problems, the intelligent techniques, namely, Evolutionary Programming and Simulated Annealing are employed. The above said optimization techniques are capable of determining the global or near global optimum dispatch solutions. The validity and effectiveness of the proposed integrated algorithm has been tested with 66-bus Indian utility system, IEEE 5-bus, 30-bus, 118-bus system. And the test results are compared with the results obtained from other methods. Numerical results show that the proposed integrated algorithm can provide accurate solutions within reasonable time for any type of fuel cost functions. (author)
Herath, Narmada; Del Vecchio, Domitilla
2018-03-01
Biochemical reaction networks often involve reactions that take place on different time scales, giving rise to "slow" and "fast" system variables. This property is widely used in the analysis of systems to obtain dynamical models with reduced dimensions. In this paper, we consider stochastic dynamics of biochemical reaction networks modeled using the Linear Noise Approximation (LNA). Under time-scale separation conditions, we obtain a reduced-order LNA that approximates both the slow and fast variables in the system. We mathematically prove that the first and second moments of this reduced-order model converge to those of the full system as the time-scale separation becomes large. These mathematical results, in particular, provide a rigorous justification to the accuracy of LNA models derived using the stochastic total quasi-steady state approximation (tQSSA). Since, in contrast to the stochastic tQSSA, our reduced-order model also provides approximations for the fast variable stochastic properties, we term our method the "stochastic tQSSA+". Finally, we demonstrate the application of our approach on two biochemical network motifs found in gene-regulatory and signal transduction networks.
International Nuclear Information System (INIS)
Mathews, M.D.; Ambekar, B.R.; Tyagi, A.K.
2005-01-01
Cell parameters and linear thermal expansion studies of the Th-M oxide systems with general compositions Th 1-x M x O 2-x/2 (M=Eu 3+ , Gd 3+ and Dy 3+ , 0.0= 1.5 in the ThO 2 lattice. The upper solid solubility limits of EuO 1.5 , GdO 1.5 and DyO 1.5 in the ThO 2 lattice under conditions of slow cooling from 1673K are represented as Th 0.50 Eu 0.50 O 1.75 , Th 0.60 Gd 0.40 O 1.80 and Th 0.85 Dy 0.15 O 1.925 , respectively. The linear thermal expansion (293-1123K) of MO 1.5 and their single-phase solid solutions with thoria were investigated by dilatometery. The average linear thermal expansion coefficients (α-bar ) of the compounds decrease on going from EuO 1.5 to DyO 1.5 . The values of α-bar for EuO 1.5 , GdO 1.5 and DyO 1.5 containing solid solutions showed a downward trend as a function of the dopant concentration. The linear thermal expansion (293-1473K) of the solid solutions investigated by high-temperature XRD also showed a similar trend
Energy Technology Data Exchange (ETDEWEB)
Diacoumis, James A.D.; Wong, Yvonne Y.Y., E-mail: j.diacoumis@unsw.edu.au, E-mail: yvonne.y.wong@unsw.edu.au [School of Physics, The University of New South Wales, Sydney NSW 2052 (Australia)
2017-09-01
The dissipation of small-scale perturbations in the early universe produces a distortion in the blackbody spectrum of cosmic microwave background photons. In this work, we propose to use these distortions as a probe of the microphysics of dark matter on scales 1 Mpc{sup -1}∼< k ∼< 10{sup 4} Mpc{sup -1}. We consider in particular models in which the dark matter is kinetically coupled to either neutrinos or photons until shortly before recombination, and compute the photon heating rate and the resultant μ-distortion in both cases. We show that the μ-parameter is generally enhanced relative to ΛCDM for interactions with neutrinos, and may be either enhanced or suppressed in the case of interactions with photons. The deviations from the ΛCDM signal are potentially within the sensitivity reach of a PRISM-like experiment if σ{sub DM-γ} ∼> 1.1 × 10{sup -30} (m{sub DM}/GeV) cm{sup 2} and σ{sub DM-ν} ∼> 4.8 × 10{sup -32} (m{sub DM}/GeV) cm{sup 2} for time-independent cross sections, and σ{sup 0}{sub DM-γ} ∼> 1.8 × 10{sup -40} (m{sub DM}/GeV) cm{sup 2} and σ{sup 0}{sub DM-ν} ∼> 2.5 × 10{sup -47} (m{sub DM}/GeV) cm{sup 2} for cross sections scaling as temperature squared, coinciding with the parameter regions in which late kinetic decoupling may serve as a solution to the small-scale crisis. Furthermore, these μ-distortion signals differ from those of warm dark matter (no deviation from ΛCDM) and a suppressed primordial power spectrum (a strongly suppressed or negative μ-parameter), demonstrating that CMB spectral distortion can potentially be used to distinguish between solutions to the small-scale crisis.
Directory of Open Access Journals (Sweden)
Zhang Xuemei
2009-01-01
Full Text Available By constructing available upper and lower solutions and combining the Schauder's fixed point theorem with maximum principle, this paper establishes sufficient and necessary conditions to guarantee the existence of as well as positive solutions for a class of singular boundary value problems on time scales. The results significantly extend and improve many known results for both the continuous case and more general time scales. We illustrate our results by one example.
Unified scaling behavior of physical properties of clays in alcohol solutions.
Pujala, Ravi Kumar; Pawar, Nisha; Bohidar, H B
2011-12-15
This paper reports observation of universal scaling of physical properties of clay particles, Laponite (aspect ratio=30) (L) and Na Montmorillonite (MMT, aspect ratio=200), in aqueous alcohol solutions (methanol, ethanol and 1-propanol) with solvent polarity, defined through reaction field factor f(OH)(ɛ(0),n)=[(ɛ(0) - 1/ɛ(0) + 2) - (n(2) - 1/n(2) + 2)], at room temperature (20°C). Here, ɛ(0) and n are the static dielectric constant and refractive index of the solvent concerned. Physical properties (Z) such as zeta potential, effective aggregate size, viscosity and surface tension scaled with the relative solvent polarity as Z∼δf(α); δf=(f(w)(ɛ(0),n) - f(OH)(ɛ(0),n)), where f(w)(ɛ(0),n) is the reaction field factor for water, Z is the normalized physical property, and α is its characteristic scaling exponent. The value of this exponent was found to be invariant of aspect ratio of the clay but dependent on the solvent polarity only. Copyright © 2011 Elsevier Inc. All rights reserved.
Linear programming using Matlab
Ploskas, Nikolaos
2017-01-01
This book offers a theoretical and computational presentation of a variety of linear programming algorithms and methods with an emphasis on the revised simplex method and its components. A theoretical background and mathematical formulation is included for each algorithm as well as comprehensive numerical examples and corresponding MATLAB® code. The MATLAB® implementations presented in this book are sophisticated and allow users to find solutions to large-scale benchmark linear programs. Each algorithm is followed by a computational study on benchmark problems that analyze the computational behavior of the presented algorithms. As a solid companion to existing algorithmic-specific literature, this book will be useful to researchers, scientists, mathematical programmers, and students with a basic knowledge of linear algebra and calculus. The clear presentation enables the reader to understand and utilize all components of simplex-type methods, such as presolve techniques, scaling techniques, pivoting ru...
Rienstra, S.W.; Eversman, W.
2001-01-01
An explicit, analytical, multiple-scales solution for modal sound transmission through slowly varying ducts with mean flow and acoustic lining is tested against a numerical finite-element solution solving the same potential flow equations. The test geometry taken is representative of a high-bypass
Nakano, Masahiko; Yoshikawa, Takeshi; Hirata, So; Seino, Junji; Nakai, Hiromi
2017-11-05
We have implemented a linear-scaling divide-and-conquer (DC)-based higher-order coupled-cluster (CC) and Møller-Plesset perturbation theories (MPPT) as well as their combinations automatically by means of the tensor contraction engine, which is a computerized symbolic algebra system. The DC-based energy expressions of the standard CC and MPPT methods and the CC methods augmented with a perturbation correction were proposed for up to high excitation orders [e.g., CCSDTQ, MP4, and CCSD(2) TQ ]. The numerical assessment for hydrogen halide chains, polyene chains, and first coordination sphere (C1) model of photoactive yellow protein has revealed that the DC-based correlation methods provide reliable correlation energies with significantly less computational cost than that of the conventional implementations. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Identifiability of large-scale non-linear dynamic network models applied to the ADM1-case study.
Nimmegeers, Philippe; Lauwers, Joost; Telen, Dries; Logist, Filip; Impe, Jan Van
2017-06-01
In this work, both the structural and practical identifiability of the Anaerobic Digestion Model no. 1 (ADM1) is investigated, which serves as a relevant case study of large non-linear dynamic network models. The structural identifiability is investigated using the probabilistic algorithm, adapted to deal with the specifics of the case study (i.e., a large-scale non-linear dynamic system of differential and algebraic equations). The practical identifiability is analyzed using a Monte Carlo parameter estimation procedure for a 'non-informative' and 'informative' experiment, which are heuristically designed. The model structure of ADM1 has been modified by replacing parameters by parameter combinations, to provide a generally locally structurally identifiable version of ADM1. This means that in an idealized theoretical situation, the parameters can be estimated accurately. Furthermore, the generally positive structural identifiability results can be explained from the large number of interconnections between the states in the network structure. This interconnectivity, however, is also observed in the parameter estimates, making uncorrelated parameter estimations in practice difficult. Copyright © 2017. Published by Elsevier Inc.
Directory of Open Access Journals (Sweden)
Gabriel Amador
2016-05-01
Full Text Available In this work, after reviewing two different ways to solve Riccati systems, we are able to present an extensive list of families of integrable nonlinear Schrödinger (NLS equations with variable coefficients. Using Riccati equations and similarity transformations, we are able to reduce them to the standard NLS models. Consequently, we can construct bright-, dark- and Peregrine-type soliton solutions for NLS with variable coefficients. As an important application of solutions for the Riccati equation with parameters, by means of computer algebra systems, it is shown that the parameters change the dynamics of the solutions. Finally, we test numerical approximations for the inhomogeneous paraxial wave equation by the Crank-Nicolson scheme with analytical solutions found using Riccati systems. These solutions include oscillating laser beams and Laguerre and Gaussian beams.
Del Rio Amador, Lenin; Lovejoy, Shaun
2016-04-01
Traditionally, most of the models for prediction of the atmosphere behavior in the macroweather and climate regimes follow a deterministic approach. However, modern ensemble forecasting systems using stochastic parameterizations are in fact deterministic/ stochastic hybrids that combine both elements to yield a statistical distribution of future atmospheric states. Nevertheless, the result is both highly complex (both numerically and theoretically) as well as being theoretically eclectic. In principle, it should be advantageous to exploit higher level turbulence type scaling laws. Concretely, in the case for the Global Circulation Models (GCM's), due to sensitive dependence on initial conditions, there is a deterministic predictability limit of the order of 10 days. When these models are coupled with ocean, cryosphere and other process models to make long range, climate forecasts, the high frequency "weather" is treated as a driving noise in the integration of the modelling equations. Following Hasselman, 1976, this has led to stochastic models that directly generate the noise, and model the low frequencies using systems of integer ordered linear ordinary differential equations, the most well-known are the Linear Inverse Models (LIM). For annual global scale forecasts, they are somewhat superior to the GCM's and have been presented as a benchmark for surface temperature forecasts with horizons up to decades. A key limitation for the LIM approach is that it assumes that the temperature has only short range (exponential) decorrelations. In contrast, an increasing body of evidence shows that - as with the models - the atmosphere respects a scale invariance symmetry leading to power laws with potentially enormous memories so that LIM greatly underestimates the memory of the system. In this talk we show that, due to the relatively low macroweather intermittency, the simplest scaling models - fractional Gaussian noise - can be used for making greatly improved forecasts
Existence of positive solutions for semipositone dynamic system on time scales
Directory of Open Access Journals (Sweden)
You-Wei Zhang
2008-08-01
Full Text Available In this paper, we study the following semipositone dynamic system on time scales $$displaylines{ -x^{DeltaDelta}(t=f(t,y+p(t, quad tin(0,T_{mathbb{T}},cr -y^{DeltaDelta}(t=g(t,x, quad tin(0,T_{mathbb{T}},cr x(0=x(sigma^{2}(T=0, cr alpha{y(0}-eta{y^{Delta}{(0}}= gamma{y(sigma(T}+delta{y^{Delta}(sigma(T}=0. }$$ Using fixed point index theory, we show the existence of at least one positive solution. The interesting point is the that nonlinear term is allowed to change sign and may tend to negative infinity.
Energy Technology Data Exchange (ETDEWEB)
Van Handenhove, Carl; Breban, Domnica; Creusot, Christophe [International Atomic Energy Agency, Vienna (Austria); Dransart, Pascal; Dechamp, Luc [Joint Research Centre, European Commission, Ispra, Varese, (Italy); Jarde, Eric [Euriware, Equeurdreville (France)
2011-12-15
The implementation of an effective and efficient IAEA safeguards approach at large scale reprocessing facilities with large throughput and continuous flow of nuclear material requires the introduction of enhanced safeguards measures to provide added assurance about the absence of diversion of nuclear material and confirmation that the facility is operated as declared. One of the enhanced safeguards measures, a Solution Monitoring and Measurement System (SMMS), comprising data collection instruments, data transmission equipment and an advanced Solution Monitoring Software (SMS), is being implemented at a large scale reprocessing plant in Japan. SMS is designed as a tool to enable automatic calculations of volumes, densities and flow-rates in selected process vessels, including most of the vessels of the main nuclear material stream. This software also includes automatic features to support the inspectorate in verifying inventories and inventory changes. The software also enables one to analyze the flows of nuclear material within the process and of specified 'cycles' of operation, and, in order to provide assurance that the facility is being operated as declared to compare these with those expected (reference signatures). The configuration and parameterization work (especially the analytical and comparative work) for the implementation and configuration of the SMS has been carried out jointly between the IAEA, Euriware-France (the software developer) and the Joint Research Centre (JRC)-Ispra. This paper describes the main features of the SMS, including the principles underlying the automatic analysis functionalities. It then focuses on the collaborative work performed by the JRC-Ispra, Euriware and the IAEA for the parameterization of the software (vessels and cycles of operation), including the current status and the future challenges.
Song, Chao; Kwan, Mei-Po; Zhu, Jiping
2017-04-08
An increasing number of fires are occurring with the rapid development of cities, resulting in increased risk for human beings and the environment. This study compares geographically weighted regression-based models, including geographically weighted regression (GWR) and geographically and temporally weighted regression (GTWR), which integrates spatial and temporal effects and global linear regression models (LM) for modeling fire risk at the city scale. The results show that the road density and the spatial distribution of enterprises have the strongest influences on fire risk, which implies that we should focus on areas where roads and enterprises are densely clustered. In addition, locations with a large number of enterprises have fewer fire ignition records, probably because of strict management and prevention measures. A changing number of significant variables across space indicate that heterogeneity mainly exists in the northern and eastern rural and suburban areas of Hefei city, where human-related facilities or road construction are only clustered in the city sub-centers. GTWR can capture small changes in the spatiotemporal heterogeneity of the variables while GWR and LM cannot. An approach that integrates space and time enables us to better understand the dynamic changes in fire risk. Thus governments can use the results to manage fire safety at the city scale.
Directory of Open Access Journals (Sweden)
Dhiraj Murthy
2014-11-01
Full Text Available Though full of promise, Big Data research success is often contingent on access to the newest, most advanced, and often expensive hardware systems and the expertise needed to build and implement such systems. As a result, the accessibility of the growing number of Big Data-capable technology solutions has often been the preserve of business analytics. Pay as you store/process services like Amazon Web Services have opened up possibilities for smaller scale Big Data projects. There is high demand for this type of research in the digital humanities and digital sociology, for example. However, scholars are increasingly finding themselves at a disadvantage as available data sets of interest continue to grow in size and complexity. Without a large amount of funding or the ability to form interdisciplinary partnerships, only a select few find themselves in the position to successfully engage Big Data. This article identifies several notable and popular Big Data technologies typically implemented using large and extremely powerful cloud-based systems and investigates the feasibility and utility of development of Big Data analytics systems implemented using low-cost commodity hardware in basic and easily maintainable configurations for use within academic social research. Through our investigation and experimental case study (in the growing field of social Twitter analytics, we found that not only are solutions like Cloudera’s Hadoop feasible, but that they can also enable robust, deep, and fruitful research outcomes in a variety of use-case scenarios across the disciplines.
Management Of Large Scale Osmotic Dehydration Solution Using The Pearsons Square Algorithm
Directory of Open Access Journals (Sweden)
Oladejo Duduyemi
2015-01-01
Full Text Available ABSTRACT Osmotic dehydration is a widely researched and advantageous pre-treatment process in food preservation but has not enjoyed industrial acceptance because if its highly concentrated and voluminous effluent. The Pearsons square algorithm was employed to give a focussed attack to the problem by developing a user-friendly template for reconstituting effluents for recycling purposes using Java script programme. Outflow from a pilot scale plant was reactivated and introduced into a scheme of operation for continuous OD of fruits and vegetables. Screened and re-concentrated effluent were subjected to statistical analysis in comparison to initial concentrations solution at confidence limit of p0.05. The template proven to be an adequate representation of the Pearsons square algorithm it is sufficiently good in reconstituting used osmotic solutions for repetitive usage. This protocol if adopted in the industry is not only environmentally friendly but also promises significant economic improvement of OD process. Application Recycling of non-reacting media and as a template for automation in continuous OD processing.
Assessment of applications of transport models on regional scale solute transport
Guo, Z.; Fogg, G. E.; Henri, C.; Pauloo, R.
2017-12-01
Regional scale transport models are needed to support the long-term evaluation of groundwater quality and to develop management strategies aiming to prevent serious groundwater degradation. The purpose of this study is to evaluate the capacity of previously-developed upscaling approaches to accurately describe main solute transport processes including the capture of late-time tails under changing boundary conditions. Advective-dispersive contaminant transport in a 3D heterogeneous domain was simulated and used as a reference solution. Equivalent transport under homogeneous flow conditions were then evaluated applying the Multi-Rate Mass Transfer (MRMT) model. The random walk particle tracking method was used for both heterogeneous and homogeneous-MRMT scenarios under steady state and transient conditions. The results indicate that the MRMT model can capture the tails satisfactorily for plume transported with ambient steady-state flow field. However, when boundary conditions change, the mass transfer model calibrated for transport under steady-state conditions cannot accurately reproduce the tailing effect observed for the heterogeneous scenario. The deteriorating impact of transient boundary conditions on the upscaled model is more significant for regions where flow fields are dramatically affected, highlighting the poor applicability of the MRMT approach for complex field settings. Accurately simulating mass in both mobile and immobile zones is critical to represent the transport process under transient flow conditions and will be the future focus of our study.
Multi-scale modelling of ions in solution: from atomistic descriptions to chemical engineering
International Nuclear Information System (INIS)
Molina, J.J.
2011-01-01
Ions in solution play a fundamental role in many physical, chemical, and biological processes. The PUREX process used in the nuclear industry to the treatment of spent nuclear fuels is considered as an example. For industrial applications these systems are usually described using simple analytical models which are fitted to reproduce the available experimental data. In this work, we propose a multi-scale coarse graining procedure to derive such models from atomistic descriptions. First, parameters for classical force-fields of ions in solution are extracted from ab-initio calculations. Effective (McMillan-Mayer) ion-ion potentials are then derived from radial distribution functions measured in classical molecular dynamics simulations, allowing us to define an implicit solvent model of electrolytes. Finally, perturbation calculations are performed to define the best possible representation for these systems, in terms of charged hard-sphere models. Our final model is analytical and contains no free 'fitting' parameters. It shows good agreement with the exact results obtained from Monte-Carlo simulations for the thermodynamic and structural properties. Development of a similar model for the electrolyte viscosity, from information derived from atomistic descriptions, is also introduced. (author)
International Nuclear Information System (INIS)
Fujimura, Kaoru
1980-11-01
The numerical treatment of Orr-Sommerfeld equation which is the fundamental equation of linear hydrodynamic stability theory is described. Present calculation procedure is applied to the two-dimensional quasi-parallel flow for which linearized disturbance equation (Orr-Sommerfeld equation) contains one simple turning point and αR >> 1. The numerical procedure for this problem and one numerical example for Jeffery-Hamel flow (J-H III 1 ) are presented. These treatment can be extended to the other velocity profiles by slight midifications. (author)
International Nuclear Information System (INIS)
Mahanthesh, B.; Gireesha, B.J.; Gorla, R.S. Reddy; Abbasi, F.M.; Shehzad, S.A.
2016-01-01
Numerical solutions of three-dimensional flow over a non-linear stretching surface are developed in this article. An electrically conducting flow of viscous nanoliquid is considered. Heat transfer phenomenon is accounted under thermal radiation, Joule heating and viscous dissipation effects. We considered the variable heat flux condition at the surface of sheet. The governing mathematical equations are reduced to nonlinear ordinary differential systems through suitable dimensionless variables. A well-known shooting technique is implemented to obtain the results of dimensionless velocities and temperature. The obtained results are plotted for multiple values of pertinent parameters to discuss the salient features of these parameters on fluid velocity and temperature. The expressions of skin-friction coefficient and Nusselt number are computed and analyzed comprehensively through numerical values. A comparison of present results with the previous results in absence of nanoparticle volume fraction, mixed convection and magnetic field is computed and an excellent agreement noticed. We also computed the results for both linear and non-linear stretching sheet cases. - Highlights: • Hydromagnetic flow of nanofluid over a bidirectional non-linear stretching surface is examined. • Cu, Al 2 O3 and TiO 2 types nanoparticles are taken into account. • Numerical solutions have been computed and addressed. • The values of skin-friction and Nusselt number are presented.
Energy Technology Data Exchange (ETDEWEB)
Mahanthesh, B., E-mail: bmanths@gmail.com [Department of Mathematics, AIMS Institutes, Peenya, 560058 Bangalore (India); Department of Studies and Research in Mathematics, Kuvempu University, Shankaraghatta, 577451 Shimoga, Karnataka (India); Gireesha, B.J., E-mail: bjgireesu@rediffmail.com [Department of Studies and Research in Mathematics, Kuvempu University, Shankaraghatta, 577451 Shimoga, Karnataka (India); Department of Mechanical Engineering, Cleveland State University, Cleveland, OH (United States); Gorla, R.S. Reddy, E-mail: r.gorla@csuohio.edu [Department of Mechanical Engineering, Cleveland State University, Cleveland, OH (United States); Abbasi, F.M., E-mail: abbasisarkar@gmail.com [Department of Mathematics, Comsats Institute of Information Technology, Islamabad 44000 (Pakistan); Shehzad, S.A., E-mail: ali_qau70@yahoo.com [Department of Mathematics, Comsats Institute of Information Technology, Sahiwal 57000 (Pakistan)
2016-11-01
Numerical solutions of three-dimensional flow over a non-linear stretching surface are developed in this article. An electrically conducting flow of viscous nanoliquid is considered. Heat transfer phenomenon is accounted under thermal radiation, Joule heating and viscous dissipation effects. We considered the variable heat flux condition at the surface of sheet. The governing mathematical equations are reduced to nonlinear ordinary differential systems through suitable dimensionless variables. A well-known shooting technique is implemented to obtain the results of dimensionless velocities and temperature. The obtained results are plotted for multiple values of pertinent parameters to discuss the salient features of these parameters on fluid velocity and temperature. The expressions of skin-friction coefficient and Nusselt number are computed and analyzed comprehensively through numerical values. A comparison of present results with the previous results in absence of nanoparticle volume fraction, mixed convection and magnetic field is computed and an excellent agreement noticed. We also computed the results for both linear and non-linear stretching sheet cases. - Highlights: • Hydromagnetic flow of nanofluid over a bidirectional non-linear stretching surface is examined. • Cu, Al{sub 2}O3 and TiO{sub 2} types nanoparticles are taken into account. • Numerical solutions have been computed and addressed. • The values of skin-friction and Nusselt number are presented.
Anderson, William; Yang, Jianzhi
2017-11-01
Spanwise surface heterogeneity beneath high-Reynolds number, fully-rough wall turbulence is known to induce mean secondary flows in the form of counter-rotating streamwise vortices. The secondary flows are a manifestation of Prandtl's secondary flow of the second kind - driven and sustained by spatial heterogeneity of components of the turbulent (Reynolds averaged) stress tensor. The spacing between adjacent surface heterogeneities serves as a control on the spatial extent of the counter-rotating cells, while their intensity is controlled by the spanwise gradient in imposed drag (where larger gradients associated with more dramatic transitions in roughness induce stronger cells). In this work, we have performed an order of magnitude analysis of the mean (Reynolds averaged) streamwise vorticity transport equation, revealing the scaling dependence of circulation upon spanwise spacing. The scaling arguments are supported by simulation data. Then, we demonstrate that mean streamwise velocity can be predicted a priori via a similarity solution to the mean streamwise vorticity transport equation. A vortex forcing term was used to represent the affects of spanwise topographic heterogeneity within the flow. Efficacy of the vortex forcing term was established with large-eddy simulation cases, wherein vortex forcing model parameters were altered to capture different values of spanwise spacing.
DEFF Research Database (Denmark)
Gersborg-Hansen, Allan; Dammann, Bernd; Aage, Niels
concerned with developing a proper (COMSOL) model rather than developing efficient linear algebra solvers which motivates this investigation of the efficiency of the coupling COMSOL + SPL. The technicalities of making such a coupling is described in detail along with a measure of the speedup...
DEFF Research Database (Denmark)
Larsen, Jon Steffen; Santos, Ilmar
2015-01-01
An efficient finite element scheme for solving the non-linear Reynolds equation for compressible fluid coupled to compliant structures is presented. The method is general and fast and can be used in the analysis of airfoil bearings with simplified or complex foil structure models. To illustrate...
Czech Academy of Sciences Publication Activity Database
Dosoudilová, M.; Lomtatidze, Alexander; Šremr, Jiří
2015-01-01
Roč. 120, June (2015), s. 57-75 ISSN 0362-546X Institutional support: RVO:67985840 Keywords : half-linear system * Hartman -Wintner theorem * Kamenev theorem Subject RIV: BA - General Mathematics Impact factor: 1.125, year: 2015 http://www.sciencedirect.com/science/article/pii/S0362546X15000620
Mills, James W.; And Others
1973-01-01
The Study reported here tested an application of the Linear Programming Model at the Reading Clinic of Drew University. Results, while not conclusive, indicate that this approach yields greater gains in speed scores than a traditional approach for this population. (Author)
Brem, Gerrit; Brouwers, J.J.H.
1990-01-01
Analytical description are presented for non-linear heterogeneous conversion of a porous solid particle reacting with a surrounding gas. Account has been taken of a reaction rate of general order with respect to gas concentration, intrinsic reaction surface area and pore diffusion, which change with
Stieger, M.A.; Richtering, W.
2003-01-01
The influence of shear flow on the phase separation of aqueous poly(N-isopropylacrylamide) (PNiPAM) microgel suspensions was investigated by means of rheo-turbidity and rheo-small angle neutron scattering (rheo-SANS) and compared to the behavior of linear PNiPAM macromolecules. The rheological