potential integral equation: Topics by Science.gov

Sample records for potential integral equation

A numerical solution for two-dimensional Fredholm integral equations of the second kind with kernels of the logarithmic potential form

NASA Technical Reports Server (NTRS)

Gabrielsen, R. E.; Uenal, A.

1981-01-01

Two dimensional Fredholm integral equations with logarithmic potential kernels are numerically solved. The explicit consequence of these solutions to their true solutions is demonstrated. The results are based on a previous work in which numerical solutions were obtained for Fredholm integral equations of the second kind with continuous kernels.
Distribution theory for Schrödinger’s integral equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lange, Rutger-Jan, E-mail: rutger-jan.lange@cantab.net

2015-12-15

Much of the literature on point interactions in quantum mechanics has focused on the differential form of Schrödinger’s equation. This paper, in contrast, investigates the integral form of Schrödinger’s equation. While both forms are known to be equivalent for smooth potentials, this is not true for distributional potentials. Here, we assume that the potential is given by a distribution defined on the space of discontinuous test functions. First, by using Schrödinger’s integral equation, we confirm a seminal result by Kurasov, which was originally obtained in the context of Schrödinger’s differential equation. This hints at a possible deeper connection between bothmore » forms of the equation. We also sketch a generalisation of Kurasov’s [J. Math. Anal. Appl. 201(1), 297–323 (1996)] result to hypersurfaces. Second, we derive a new closed-form solution to Schrödinger’s integral equation with a delta prime potential. This potential has attracted considerable attention, including some controversy. Interestingly, the derived propagator satisfies boundary conditions that were previously derived using Schrödinger’s differential equation. Third, we derive boundary conditions for “super-singular” potentials given by higher-order derivatives of the delta potential. These boundary conditions cannot be incorporated into the normal framework of self-adjoint extensions. We show that the boundary conditions depend on the energy of the solution and that probability is conserved. This paper thereby confirms several seminal results and derives some new ones. In sum, it shows that Schrödinger’s integral equation is a viable tool for studying singular interactions in quantum mechanics.« less
Extension of the KLI approximation toward the exact optimized effective potential.

PubMed

Iafrate, G J; Krieger, J B

2013-03-07

The integral equation for the optimized effective potential (OEP) is utilized in a compact form from which an accurate OEP solution for the spin-unrestricted exchange-correlation potential, Vxcσ, is obtained for any assumed orbital-dependent exchange-correlation energy functional. The method extends beyond the Krieger-Li-Iafrate (KLI) approximation toward the exact OEP result. The compact nature of the OEP equation arises by replacing the integrals involving the Green's function terms in the traditional OEP equation by an equivalent first-order perturbation theory wavefunction often referred to as the "orbital shift" function. Significant progress is then obtained by solving the equation for the first order perturbation theory wavefunction by use of Dalgarno functions which are determined from well known methods of partial differential equations. The use of Dalgarno functions circumvents the need to explicitly address the Green's functions and the associated problems with "sum over states" numerics; as well, the Dalgarno functions provide ease in dealing with inherent singularities arising from the origin and the zeros of the occupied orbital wavefunctions. The Dalgarno approach for finding a solution to the OEP equation is described herein, and a detailed illustrative example is presented for the special case of a spherically symmetric exchange-correlation potential. For the case of spherical symmetry, the relevant Dalgarno function is derived by direct integration of the appropriate radial equation while utilizing a user friendly method which explicitly treats the singular behavior at the origin and at the nodal singularities arising from the zeros of the occupied states. The derived Dalgarno function is shown to be an explicit integral functional of the exact OEP Vxcσ, thus allowing for the reduction of the OEP equation to a self-consistent integral equation for the exact exchange-correlation potential; the exact solution to this integral equation can be determined by iteration with the natural zeroth order correction given by the KLI exchange-correlation potential. Explicit analytic results are provided to illustrate the first order iterative correction beyond the KLI approximation. The derived correction term to the KLI potential explicitly involves spatially weighted products of occupied orbital densities in any assumed orbital-dependent exchange-correlation energy functional; as well, the correction term is obtained with no adjustable parameters. Moreover, if the equation for the exact optimized effective potential is further iterated, one can obtain the OEP as accurately as desired.
Extension of the KLI approximation toward the exact optimized effective potential

NASA Astrophysics Data System (ADS)

Iafrate, G. J.; Krieger, J. B.

2013-03-01

The integral equation for the optimized effective potential (OEP) is utilized in a compact form from which an accurate OEP solution for the spin-unrestricted exchange-correlation potential, Vxcσ, is obtained for any assumed orbital-dependent exchange-correlation energy functional. The method extends beyond the Krieger-Li-Iafrate (KLI) approximation toward the exact OEP result. The compact nature of the OEP equation arises by replacing the integrals involving the Green's function terms in the traditional OEP equation by an equivalent first-order perturbation theory wavefunction often referred to as the "orbital shift" function. Significant progress is then obtained by solving the equation for the first order perturbation theory wavefunction by use of Dalgarno functions which are determined from well known methods of partial differential equations. The use of Dalgarno functions circumvents the need to explicitly address the Green's functions and the associated problems with "sum over states" numerics; as well, the Dalgarno functions provide ease in dealing with inherent singularities arising from the origin and the zeros of the occupied orbital wavefunctions. The Dalgarno approach for finding a solution to the OEP equation is described herein, and a detailed illustrative example is presented for the special case of a spherically symmetric exchange-correlation potential. For the case of spherical symmetry, the relevant Dalgarno function is derived by direct integration of the appropriate radial equation while utilizing a user friendly method which explicitly treats the singular behavior at the origin and at the nodal singularities arising from the zeros of the occupied states. The derived Dalgarno function is shown to be an explicit integral functional of the exact OEP Vxcσ, thus allowing for the reduction of the OEP equation to a self-consistent integral equation for the exact exchange-correlation potential; the exact solution to this integral equation can be determined by iteration with the natural zeroth order correction given by the KLI exchange-correlation potential. Explicit analytic results are provided to illustrate the first order iterative correction beyond the KLI approximation. The derived correction term to the KLI potential explicitly involves spatially weighted products of occupied orbital densities in any assumed orbital-dependent exchange-correlation energy functional; as well, the correction term is obtained with no adjustable parameters. Moreover, if the equation for the exact optimized effective potential is further iterated, one can obtain the OEP as accurately as desired.
Integral Equations and Scattering Solutions for a Square-Well Potential.

ERIC Educational Resources Information Center

Bagchi, B.; Seyler, R. G.

1979-01-01

Derives Green's functions and integral equations for scattering solutions subject to a variety of boundary conditions. Exact solutions are obtained for the case of a finite spherical square-well potential, and properties of these solutions are discussed. (Author/HM)
Solution of steady and unsteady transonic-vortex flows using Euler and full-potential equations

NASA Technical Reports Server (NTRS)

Kandil, Osama A.; Chuang, Andrew H.; Hu, Hong

1989-01-01

Two methods are presented for inviscid transonic flows: unsteady Euler equations in a rotating frame of reference for transonic-vortex flows and integral solution of full-potential equation with and without embedded Euler domains for transonic airfoil flows. The computational results covered: steady and unsteady conical vortex flows; 3-D steady transonic vortex flow; and transonic airfoil flows. The results are in good agreement with other computational results and experimental data. The rotating frame of reference solution is potentially efficient as compared with the space fixed reference formulation with dynamic gridding. The integral equation solution with embedded Euler domain is computationally efficient and as accurate as the Euler equations.
Squared eigenfunctions for the Sasa-Satsuma equation

NASA Astrophysics Data System (ADS)

Yang, Jianke; Kaup, D. J.

2009-02-01

Squared eigenfunctions are quadratic combinations of Jost functions and adjoint Jost functions which satisfy the linearized equation of an integrable equation. They are needed for various studies related to integrable equations, such as the development of its soliton perturbation theory. In this article, squared eigenfunctions are derived for the Sasa-Satsuma equation whose spectral operator is a 3×3 system, while its linearized operator is a 2×2 system. It is shown that these squared eigenfunctions are sums of two terms, where each term is a product of a Jost function and an adjoint Jost function. The procedure of this derivation consists of two steps: First is to calculate the variations of the potentials via variations of the scattering data by the Riemann-Hilbert method. The second one is to calculate the variations of the scattering data via the variations of the potentials through elementary calculations. While this procedure has been used before on other integrable equations, it is shown here, for the first time, that for a general integrable equation, the functions appearing in these variation relations are precisely the squared eigenfunctions and adjoint squared eigenfunctions satisfying, respectively, the linearized equation and the adjoint linearized equation of the integrable system. This proof clarifies this procedure and provides a unified explanation for previous results of squared eigenfunctions on individual integrable equations. This procedure uses primarily the spectral operator of the Lax pair. Thus two equations in the same integrable hierarchy will share the same squared eigenfunctions (except for a time-dependent factor). In the Appendix, the squared eigenfunctions are presented for the Manakov equations whose spectral operator is closely related to that of the Sasa-Satsuma equation.
Some Exact Results for the Schroedinger Wave Equation with a Time Dependent Potential

NASA Technical Reports Server (NTRS)

Campbell, Joel

2009-01-01

The time dependent Schroedinger equation with a time dependent delta function potential is solved exactly for many special cases. In all other cases the problem can be reduced to an integral equation of the Volterra type. It is shown that by knowing the wave function at the origin, one may derive the wave function everywhere. Thus, the problem is reduced from a PDE in two variables to an integral equation in one. These results are used to compare adiabatic versus sudden changes in the potential. It is shown that adiabatic changes in the p otential lead to conservation of the normalization of the probability density.
Inverse Scattering Problem For The Schrödinger Equation With An Additional Quadratic Potential On The Entire Axis

NASA Astrophysics Data System (ADS)

Guseinov, I. M.; Khanmamedov, A. Kh.; Mamedova, A. F.

2018-04-01

We consider the Schrödinger equation with an additional quadratic potential on the entire axis and use the transformation operator method to study the direct and inverse problems of the scattering theory. We obtain the main integral equations of the inverse problem and prove that the basic equations are uniquely solvable.
The application of the integral equation theory to study the hydrophobic interaction

PubMed Central

Mohorič, Tomaž; Urbic, Tomaz; Hribar-Lee, Barbara

2014-01-01

The Wertheim's integral equation theory was tested against newly obtained Monte Carlo computer simulations to describe the potential of mean force between two hydrophobic particles. An excellent agreement was obtained between the theoretical and simulation results. Further, the Wertheim's integral equation theory with polymer Percus-Yevick closure qualitatively correctly (with respect to the experimental data) describes the solvation structure under conditions where the simulation results are difficult to obtain with good enough accuracy. PMID:24437891
A new treatment of nonlocality in scattering process

NASA Astrophysics Data System (ADS)

Upadhyay, N. J.; Bhagwat, A.; Jain, B. K.

2018-01-01

Nonlocality in the scattering potential leads to an integro-differential equation. In this equation nonlocality enters through an integral over the nonlocal potential kernel. The resulting Schrödinger equation is usually handled by approximating r,{r}{\\prime }-dependence of the nonlocal kernel. The present work proposes a novel method to solve the integro-differential equation. The method, using the mean value theorem of integral calculus, converts the nonhomogeneous term to a homogeneous term. The effective local potential in this equation turns out to be energy independent, but has relative angular momentum dependence. This method is accurate and valid for any form of nonlocality. As illustrative examples, the total and differential cross sections for neutron scattering off 12C, 56Fe and 100Mo nuclei are calculated with this method in the low energy region (up to 10 MeV) and are found to be in reasonable accord with the experiments.
Algorithms for the computation of solutions of the Ornstein-Zernike equation.

PubMed

Peplow, A T; Beardmore, R E; Bresme, F

2006-10-01

We introduce a robust and efficient methodology to solve the Ornstein-Zernike integral equation using the pseudoarc length (PAL) continuation method that reformulates the integral equation in an equivalent but nonstandard form. This enables the computation of solutions in regions where the compressibility experiences large changes or where the existence of multiple solutions and so-called branch points prevents Newton's method from converging. We illustrate the use of the algorithm with a difficult problem that arises in the numerical solution of integral equations, namely the evaluation of the so-called no-solution line of the Ornstein-Zernike hypernetted chain (HNC) integral equation for the Lennard-Jones potential. We are able to use the PAL algorithm to solve the integral equation along this line and to connect physical and nonphysical solution branches (both isotherms and isochores) where appropriate. We also show that PAL continuation can compute solutions within the no-solution region that cannot be computed when Newton and Picard methods are applied directly to the integral equation. While many solutions that we find are new, some correspond to states with negative compressibility and consequently are not physical.
Study of thermal properties of the metastable supersaturated vapor with the integral equation method

NASA Astrophysics Data System (ADS)

Nie, Chu; Geng, Jun; Marlow, W. H.

2008-02-01

Pressure, excess chemical potential, and excess free energy data for different densities of the supersaturated argon vapor at reduced temperatures from 0.7 to 1.2 are obtained by solving the integral equation with perturbation correction to the radial distribution function [F. Lado, Phys. Rev. 135, A1013 (1964)]. For those state points where there is no solution, the integral equation is solved with the interaction between argon atoms modeled by Lennard-Jones potential plus a repulsive potential with one controlling parameter, αexp(-r /σ) and in the end, all the thermal properties are mapped back to the α =0 case. Our pressure data and the spinodal obtained from the current method are compared with a molecular dynamics simulation study [A. Linhart et al., J. Chem. Phys. 122, 144506 (2005)] of the same system.
An exterior Poisson solver using fast direct methods and boundary integral equations with applications to nonlinear potential flow

NASA Technical Reports Server (NTRS)

Young, D. P.; Woo, A. C.; Bussoletti, J. E.; Johnson, F. T.

1986-01-01

A general method is developed combining fast direct methods and boundary integral equation methods to solve Poisson's equation on irregular exterior regions. The method requires O(N log N) operations where N is the number of grid points. Error estimates are given that hold for regions with corners and other boundary irregularities. Computational results are given in the context of computational aerodynamics for a two-dimensional lifting airfoil. Solutions of boundary integral equations for lifting and nonlifting aerodynamic configurations using preconditioned conjugate gradient are examined for varying degrees of thinness.
A Conditionally Integrable Bi-confluent Heun Potential Involving Inverse Square Root and Centrifugal Barrier Terms

NASA Astrophysics Data System (ADS)

Ishkhanyan, Tigran A.; Krainov, Vladimir P.; Ishkhanyan, Artur M.

2018-05-01

We present a conditionally integrable potential, belonging to the bi-confluent Heun class, for which the Schrödinger equation is solved in terms of the confluent hypergeometric functions. The potential involves an attractive inverse square root term x-1/2 with arbitrary strength and a repulsive centrifugal barrier core x-2 with the strength fixed to a constant. This is a potential well defined on the half-axis. Each of the fundamental solutions composing the general solution of the Schrödinger equation is written as an irreducible linear combination, with non-constant coefficients, of two confluent hypergeometric functions. We present the explicit solution in terms of the non-integer order Hermite functions of scaled and shifted argument and discuss the bound states supported by the potential. We derive the exact equation for the energy spectrum and approximate that by a highly accurate transcendental equation involving trigonometric functions. Finally, we construct an accurate approximation for the bound-state energy levels.
PAN AIR: A Computer Program for Predicting Subsonic or Supersonic Linear Potential Flows About Arbitrary Configurations Using a Higher Order Panel Method. Volume 1; Theory Document (Version 1.1)

NASA Technical Reports Server (NTRS)

Magnus, Alfred E.; Epton, Michael A.

1981-01-01

An outline of the derivation of the differential equation governing linear subsonic and supersonic potential flow is given. The use of Green's Theorem to obtain an integral equation over the boundary surface is discussed. The engineering techniques incorporated in the PAN AIR (Panel Aerodynamics) program (a discretization method which solves the integral equation for arbitrary first order boundary conditions) are then discussed in detail. Items discussed include the construction of the compressibility transformations, splining techniques, imposition of the boundary conditions, influence coefficient computation (including the concept of the finite part of an integral), computation of pressure coefficients, and computation of forces and moments.
Nonlocal integrable PDEs from hierarchies of symmetry laws: The example of Pohlmeyer-Lund-Regge equation and its reflectionless potential solutions

NASA Astrophysics Data System (ADS)

Demontis, F.; Ortenzi, G.; van der Mee, C.

2018-04-01

By following the ideas presented by Fukumoto and Miyajima in Fukumoto and Miyajima (1996) we derive a generalized method for constructing integrable nonlocal equations starting from any bi-Hamiltonian hierarchy supplied with a recursion operator. This construction provides the right framework for the application of the full machinery of the inverse scattering transform. We pay attention to the Pohlmeyer-Lund-Regge equation coming from the nonlinear Schrödinger hierarchy and construct the formula for the reflectionless potential solutions which are generalizations of multi-solitons. Some explicit examples are discussed.
Numerical quadrature methods for integrals of singular periodic functions and their application to singular and weakly singular integral equations

NASA Technical Reports Server (NTRS)

Sidi, A.; Israeli, M.

1986-01-01

High accuracy numerical quadrature methods for integrals of singular periodic functions are proposed. These methods are based on the appropriate Euler-Maclaurin expansions of trapezoidal rule approximations and their extrapolations. They are used to obtain accurate quadrature methods for the solution of singular and weakly singular Fredholm integral equations. Such periodic equations are used in the solution of planar elliptic boundary value problems, elasticity, potential theory, conformal mapping, boundary element methods, free surface flows, etc. The use of the quadrature methods is demonstrated with numerical examples.
A first-order Green's function approach to supersonic oscillatory flow: A mixed analytic and numeric treatment

NASA Technical Reports Server (NTRS)

Freedman, M. I.; Sipcic, S.; Tseng, K.

1985-01-01

A frequency domain Green's Function Method for unsteady supersonic potential flow around complex aircraft configurations is presented. The focus is on the supersonic range wherein the linear potential flow assumption is valid. In this range the effects of the nonlinear terms in the unsteady supersonic compressible velocity potential equation are negligible and therefore these terms will be omitted. The Green's function method is employed in order to convert the potential flow differential equation into an integral one. This integral equation is then discretized, through standard finite element technique, to yield a linear algebraic system of equations relating the unknown potential to its prescribed co-normalwash (boundary condition) on the surface of the aircraft. The arbitrary complex aircraft configuration (e.g., finite-thickness wing, wing-body-tail) is discretized into hyperboloidal (twisted quadrilateral) panels. The potential and co-normalwash are assumed to vary linearly within each panel. The long range goal is to develop a comprehensive theory for unsteady supersonic potential aerodynamic which is capable of yielding accurate results even in the low supersonic (i.e., high transonic) range.
On the solution of integral equations with a generalized cauchy kernal

NASA Technical Reports Server (NTRS)

Kaya, A. C.; Erdogan, F.

1986-01-01

A certain class of singular integral equations that may arise from the mixed boundary value problems in nonhonogeneous materials is considered. The distinguishing feature of these equations is that in addition to the Cauchy singularity, the kernels contain terms that are singular only at the end points. In the form of the singular integral equations adopted, the density function is a potential or a displacement and consequently the kernal has strong singularities of the form (t-x)(-2), x(n-2) (t+x)(n), (n is = or 2, 0 x, t b). The complex function theory is used to determine the fundamental function of the problem for the general case and a simple numerical technique is described to solve the integral equation. Two examples from the theory of elasticity are then considered to show the application of the technique.

A family of wave equations with some remarkable properties.

PubMed

da Silva, Priscila Leal; Freire, Igor Leite; Sampaio, Júlio Cesar Santos

2018-02-01

We consider a family of homogeneous nonlinear dispersive equations with two arbitrary parameters. Conservation laws are established from the point symmetries and imply that the whole family admits square integrable solutions. Recursion operators are found for two members of the family investigated. For one of them, a Lax pair is also obtained, proving its complete integrability. From the Lax pair, we construct a Miura-type transformation relating the original equation to the Korteweg-de Vries (KdV) equation. This transformation, on the other hand, enables us to obtain solutions of the equation from the kernel of a Schrödinger operator with potential parametrized by the solutions of the KdV equation. In particular, this allows us to exhibit a kink solution to the completely integrable equation from the 1-soliton solution of the KdV equation. Finally, peakon-type solutions are also found for a certain choice of the parameters, although for this particular case the equation is reduced to a homogeneous second-order nonlinear evolution equation.
Integrability of the one dimensional Schrödinger equation

NASA Astrophysics Data System (ADS)

Combot, Thierry

2018-02-01

We present a definition of integrability for the one-dimensional Schrödinger equation, which encompasses all known integrable systems, i.e., systems for which the spectrum can be explicitly computed. For this, we introduce the class of rigid functions, built as Liouvillian functions, but containing all solutions of rigid differential operators in the sense of Katz, and a notion of natural of boundary conditions. We then make a complete classification of rational integrable potentials. Many new integrable cases are found, some of them physically interesting.
From Nothing to Something II: Nonlinear Systems via Consistent Correlated Bang

NASA Astrophysics Data System (ADS)

Lou, Sen-Yue

2017-06-01

Chinese ancient sage Laozi said everything comes from \\emph{\\bf \\em "nothing"}. \\rm In the first letter (Chin. Phys. Lett. 30 (2013) 080202), infinitely many discrete integrable systems have been obtained from "nothing" via simple principles (Dao). In this second letter, a new idea, the consistent correlated bang, is introduced to obtain nonlinear dynamic systems including some integrable ones such as the continuous nonlinear Schr\\"odinger equation (NLS), the (potential) Korteweg de Vries (KdV) equation, the (potential) Kadomtsev-Petviashvili (KP) equation and the sine-Gordon (sG) equation. These nonlinear systems are derived from nothing via suitable "Dao", the shifted parity, the charge conjugate, the delayed time reversal, the shifted exchange, the shifted-parity-rotation and so on.
A General Theory of Unsteady Compressible Potential Aerodynamics

NASA Technical Reports Server (NTRS)

Morino, L.

1974-01-01

The general theory of potential aerodynamic flow around a lifting body having arbitrary shape and motion is presented. By using the Green function method, an integral representation for the potential is obtained for both supersonic and subsonic flow. Under small perturbation assumption, the potential at any point, P, in the field depends only upon the values of the potential and its normal derivative on the surface, sigma, of the body. Hence, if the point P approaches the surface of the body, the representation reduces to an integro-differential equation relating the potential and its normal derivative (which is known from the boundary conditions) on the surface sigma. For the important practical case of small harmonic oscillation around a rest position, the equation reduces to a two-dimensional Fredholm integral equation of second-type. It is shown that this equation reduces properly to the lifting surface theories as well as other classical mathematical formulas. The question of uniqueness is examined and it is shown that, for thin wings, the operator becomes singular as the thickness approaches zero. This fact may yield numerical problems for very thin wings.
On the solution of integral equations with a generalized cauchy kernel

NASA Technical Reports Server (NTRS)

Kaya, A. C.; Erdogan, F.

1986-01-01

In this paper a certain class of singular integral equations that may arise from the mixed boundary value problems in nonhomogeneous materials is considered. The distinguishing feature of these equations is that in addition to the Cauchy singularity, the kernels contain terms that are singular only at the end points. In the form of the singular integral equations adopted, the density function is a potential or a displacement and consequently the kernel has strong singularities of the form (t-x) sup-2, x sup n-2 (t+x) sup n, (n or = 2, 0x,tb). The complex function theory is used to determine the fundamental function of the problem for the general case and a simple numerical technique is described to solve the integral equation. Two examples from the theory of elasticity are then considered to show the application of the technique.
The Riemann-Lanczos equations in general relativity and their integrability

NASA Astrophysics Data System (ADS)

Dolan, P.; Gerber, A.

2008-06-01

The aim of this paper is to examine the Riemann-Lanczos equations and how they can be made integrable. They consist of a system of linear first-order partial differential equations that arise in general relativity, whereby the Riemann curvature tensor is generated by an unknown third-order tensor potential field called the Lanczos tensor. Our approach is based on the theory of jet bundles, where all field variables and all their partial derivatives of all relevant orders are treated as independent variables alongside the local manifold coordinates (xa) on the given space-time manifold M. This approach is adopted in (a) Cartan's method of exterior differential systems, (b) Vessiot's dual method using vector field systems, and (c) the Janet-Riquier theory of systems of partial differential equations. All three methods allow for the most general situations under which integrability conditions can be found. They give equivalent results, namely, that involutivity is always achieved at all generic points of the jet manifold M after a finite number of prolongations. Two alternative methods that appear in the general relativity literature to find integrability conditions for the Riemann-Lanczos equations generate new partial differential equations for the Lanczos potential that introduce a source term, which is nonlinear in the components of the Riemann tensor. We show that such sources do not occur when either of method (a), (b), or (c) are used.
Solving the Schroedinger Equation of Atoms and Molecules without Analytical Integration Based on the Free Iterative-Complement-Interaction Wave Function

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakatsuji, H.; Nakashima, H.; Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Nishikyo-ku, Kyoto 615-8510

2007-12-14

A local Schroedinger equation (LSE) method is proposed for solving the Schroedinger equation (SE) of general atoms and molecules without doing analytic integrations over the complement functions of the free ICI (iterative-complement-interaction) wave functions. Since the free ICI wave function is potentially exact, we can assume a flatness of its local energy. The variational principle is not applicable because the analytic integrations over the free ICI complement functions are very difficult for general atoms and molecules. The LSE method is applied to several 2 to 5 electron atoms and molecules, giving an accuracy of 10{sup -5} Hartree in total energy.more » The potential energy curves of H{sub 2} and LiH molecules are calculated precisely with the free ICI LSE method. The results show the high potentiality of the free ICI LSE method for developing accurate predictive quantum chemistry with the solutions of the SE.« less
Error and Complexity Analysis for a Collocation-Grid-Projection Plus Precorrected-FFT Algorithm for Solving Potential Integral Equations with LaPlace or Helmholtz Kernels

NASA Technical Reports Server (NTRS)

Phillips, J. R.

1996-01-01

In this paper we derive error bounds for a collocation-grid-projection scheme tuned for use in multilevel methods for solving boundary-element discretizations of potential integral equations. The grid-projection scheme is then combined with a precorrected FFT style multilevel method for solving potential integral equations with 1/r and e(sup ikr)/r kernels. A complexity analysis of this combined method is given to show that for homogeneous problems, the method is order n natural log n nearly independent of the kernel. In addition, it is shown analytically and experimentally that for an inhomogeneity generated by a very finely discretized surface, the combined method slows to order n(sup 4/3). Finally, examples are given to show that the collocation-based grid-projection plus precorrected-FFT scheme is competitive with fast-multipole algorithms when considering realistic problems and 1/r kernels, but can be used over a range of spatial frequencies with only a small performance penalty.
Optimized effective potential in real time: Problems and prospects in time-dependent density-functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mundt, Michael; Kuemmel, Stephan

2006-08-15

The integral equation for the time-dependent optimized effective potential (TDOEP) in time-dependent density-functional theory is transformed into a set of partial-differential equations. These equations only involve occupied Kohn-Sham orbitals and orbital shifts resulting from the difference between the exchange-correlation potential and the orbital-dependent potential. Due to the success of an analog scheme in the static case, a scheme that propagates orbitals and orbital shifts in real time is a natural candidate for an exact solution of the TDOEP equation. We investigate the numerical stability of such a scheme. An approximation beyond the Krieger-Li-Iafrate approximation for the time-dependent exchange-correlation potential ismore » analyzed.« less
Path integral solution for a Klein-Gordon particle in vector and scalar deformed radial Rosen-Morse-type potentials

NASA Astrophysics Data System (ADS)

Khodja, A.; Kadja, A.; Benamira, F.; Guechi, L.

2017-12-01

The problem of a Klein-Gordon particle moving in equal vector and scalar Rosen-Morse-type potentials is solved in the framework of Feynman's path integral approach. Explicit path integration leads to a closed form for the radial Green's function associated with different shapes of the potentials. For q≤-1, and 1/2α ln | q|0, it is shown that the quantization conditions for the bound state energy levels E_{nr} are transcendental equations which can be solved numerically. Three special cases such as the standard radial Manning-Rosen potential (| q| =1), the standard radial Rosen-Morse potential (V2→ -V2,q=1) and the radial Eckart potential (V1→ -V1,q=1) are also briefly discussed.
Connectivity as an alternative to boundary integral equations: Construction of bases

PubMed Central

Herrera, Ismael; Sabina, Federico J.

1978-01-01

In previous papers Herrera developed a theory of connectivity that is applicable to the problem of connecting solutions defined in different regions, which occurs when solving partial differential equations and many problems of mechanics. In this paper we explain how complete connectivity conditions can be used to replace boundary integral equations in many situations. We show that completeness is satisfied not only in steady-state problems such as potential, reduced wave equation and static and quasi-static elasticity, but also in time-dependent problems such as heat and wave equations and dynamical elasticity. A method to obtain bases of connectivity conditions, which are independent of the regions considered, is also presented. PMID:16592522
Cauchy-Jost function and hierarchy of integrable equations

NASA Astrophysics Data System (ADS)

Boiti, M.; Pempinelli, F.; Pogrebkov, A. K.

2015-11-01

We describe the properties of the Cauchy-Jost (also known as Cauchy-Baker-Akhiezer) function of the Kadomtsev-Petviashvili-II equation. Using the bar partial -method, we show that for this function, all equations of the Kadomtsev-Petviashvili-II hierarchy are given in a compact and explicit form, including equations for the Cauchy-Jost function itself, time evolutions of the Jost solutions, and evolutions of the potential of the heat equation.
AKNS hierarchy, Darboux transformation and conservation laws of the 1D nonautonomous nonlinear Schroedinger equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao Dun; Center for Interdisciplinary Studies, Lanzhou University, Lanzhou 730000; Zhang Yujuan

2011-04-15

By constructing nonisospectral Ablowitz-Kaup-Newell-Segur (AKNS) hierarchy, we investigate the nonautonomous nonlinear Schroedinger (NLS) equations which have been used to describe the Feshbach resonance management in matter-wave solitons in Bose-Einstein condensate and the dispersion and nonlinearity managements for optical solitons. It is found that these equations are some special cases of a new integrable model of nonlocal nonautonomous NLS equations. Based on the Lax pairs, the Darboux transformation and conservation laws are explored. It is shown that the local external potentials would break down the classical infinite number of conservation laws. The result indicates that the integrability of the nonautonomous NLSmore » systems may be nontrivial in comparison to the conventional concept of integrability in the canonical case.« less
On the solution of integral equations with a generalized Cauchy kernel

NASA Technical Reports Server (NTRS)

Kaya, A. C.; Erdogan, F.

1987-01-01

A numerical technique is developed analytically to solve a class of singular integral equations occurring in mixed boundary-value problems for nonhomogeneous elastic media with discontinuities. The approach of Kaya and Erdogan (1987) is extended to treat equations with generalized Cauchy kernels, reformulating the boundary-value problems in terms of potentials as the unknown functions. The numerical implementation of the solution is discussed, and results for an epoxy-Al plate with a crack terminating at the interface and loading normal to the crack are presented in tables.
On the existence of mosaic-skeleton approximations for discrete analogues of integral operators

NASA Astrophysics Data System (ADS)

Kashirin, A. A.; Taltykina, M. Yu.

2017-09-01

Exterior three-dimensional Dirichlet problems for the Laplace and Helmholtz equations are considered. By applying methods of potential theory, they are reduced to equivalent Fredholm boundary integral equations of the first kind, for which discrete analogues, i.e., systems of linear algebraic equations (SLAEs) are constructed. The existence of mosaic-skeleton approximations for the matrices of the indicated systems is proved. These approximations make it possible to reduce the computational complexity of an iterative solution of the SLAEs. Numerical experiments estimating the capabilities of the proposed approach are described.
A finite-element analysis for steady and oscillatory supersonic flows around complex configurations

NASA Technical Reports Server (NTRS)

Morino, L.; Chen, L. T.

1974-01-01

The problem of small perturbation potential supersonic flow around complex configurations is considered. This problem requires the solution of an integral equation relating the values of the potential on the surface of the body to the values of the normal derivative, which is known from the small perturbation boundary conditions. The surface of the body is divided into small (hyperboloidal quadrilateral) surface elements, sigma sub i, which are described in terms of the Cartesian components of the four corner points. The values of the potential (and its normal derivative) within each element is assumed to be constant and equal to its value at the centroid of the element, and this yields a set of linear algebraic equations. The coefficients of the equation are given by source and doublet integrals over the surface elements, sigma sub i. The results obtained using the above formulation are compared with existing analytical and experimental results.
Steady and Oscillatory, Subsonic and Supersonic, Aerodynamic Pressure and Generalized Forces for Complex Aircraft Configurations and Applications to Flutter. M.S. Thesis

NASA Technical Reports Server (NTRS)

Chen, L. T.

1975-01-01

A general method for analyzing aerodynamic flows around complex configurations is presented. By applying the Green function method, a linear integral equation relating the unknown, small perturbation potential on the surface of the body, to the known downwash is obtained. The surfaces of the aircraft, wake and diaphragm (if necessary) are divided into small quadrilateral elements which are approximated with hyperboloidal surfaces. The potential and its normal derivative are assumed to be constant within each element. This yields a set of linear algebraic equations and the coefficients are evaluated analytically. By using Gaussian elimination method, equations are solved for the potentials at the centroids of elements. The pressure coefficient is evaluated by the finite different method; the lift and moment coefficients are evaluated by numerical integration. Numerical results are presented, and applications to flutter are also included.
Wave propagation problem for a micropolar elastic waveguide

NASA Astrophysics Data System (ADS)

Kovalev, V. A.; Murashkin, E. V.; Radayev, Y. N.

2018-04-01

A propagation problem for coupled harmonic waves of translational displacements and microrotations along the axis of a long cylindrical waveguide is discussed at present study. Microrotations modeling is carried out within the linear micropolar elasticity frameworks. The mathematical model of the linear (or even nonlinear) micropolar elasticity is also expanded to a field theory model by variational least action integral and the least action principle. The governing coupled vector differential equations of the linear micropolar elasticity are given. The translational displacements and microrotations in the harmonic coupled wave are decomposed into potential and vortex parts. Calibrating equations providing simplification of the equations for the wave potentials are proposed. The coupled differential equations are then reduced to uncoupled ones and finally to the Helmholtz wave equations. The wave equations solutions for the translational and microrotational waves potentials are obtained for a high-frequency range.
A finite element formulation for supersonic flows around complex configurations

NASA Technical Reports Server (NTRS)

Morino, L.

1974-01-01

The problem of small perturbation potential supersonic flow around complex configurations is considered. This problem requires the solution of an integral equation relating the values of the potential on the surface of the body to the values of the normal derivative, which is known from the small perturbation boundary conditions. The surface of the body is divided into small (hyperboloidal quadrilateral) surface elements which are described in terms of the Cartesian components of the four corner points. The values of the potential (and its normal derivative) within each element are assumed to be constant and equal to its value at the centroid of the element. This yields a set of linear algebraic equations whose coefficients are given by source and doublet integrals over the surface elements. Closed form evaluations of the integrals are presented.
A boundary integral approach in primitive variables for free surface flows

NASA Astrophysics Data System (ADS)

Casciola, C.; Piva, R.

The boundary integral formulation, very efficient for free surface potential flows, was considered for its possible extension to rotational flows either inviscid or viscous. We first analyze a general formulation for unsteady Navier-Stokes equations in primitive variables, which reduces to a representation for the Euler equations in the limiting case of Reynolds infinity. A first simplified model for rotational flows, obtained by decoupling kinematics and dynamics, reduces the integral equations to a known kinematical form whose mathematical and numerical properties have been studied. The dynamics equations to complete the model are obtained for the free surface and the wake. A simple and efficient scheme for the study of the non linear evolution of the wave system and its interaction with the body wake is presented. A steady state version for the calculation of the wave resistance is also reported. A second model was proposed for the simulation of rotational separated regions, by coupling the integral equations in velocity with an integral equation for the vorticity at the body boundary. The same procedure may be extended to include the diffusion of the vorticity in the flowfield. The vortex shedding from a cylindrical body in unsteady motion is discussed, as a first application of the model.

Investigation of viscous/inviscid interaction in transonic flow over airfoils with suction

NASA Technical Reports Server (NTRS)

Vemuru, C. S.; Tiwari, S. N.

1988-01-01

The viscous/inviscid interaction over transonic airfoils with and without suction is studied. The streamline angle at the edge of the boundary layer is used to couple the viscous and inviscid flows. The potential flow equations are solved for the inviscid flow field. In the shock region, the Euler equations are solved using the method of integral relations. For this, the potential flow solution is used as the initial and boundary conditions. An integral method is used to solve the laminar boundary-layer equations. Since both methods are integral methods, a continuous interaction is allowed between the outer inviscid flow region and the inner viscous flow region. To avoid the Goldstein singularity near the separation point the laminar boundary-layer equations are derived in an inverse form to obtain solution for the flows with small separations. The displacement thickness distribution is specified instead of the usual pressure distribution to solve the boundry-layer equations. The Euler equations are solved for the inviscid flow using the finite volume technique and the coupling is achieved by a surface transpiration model. A method is developed to apply a minimum amount of suction that is required to have an attached flow on the airfoil. The turbulent boundary layer equations are derived using the bi-logarithmic wall law for mass transfer. The results are found to be in good agreement with available experimental data and with the results of other computational methods.
Symmetric and arbitrarily high-order Birkhoff-Hermite time integrators and their long-time behaviour for solving nonlinear Klein-Gordon equations

NASA Astrophysics Data System (ADS)

Liu, Changying; Iserles, Arieh; Wu, Xinyuan

2018-03-01

The Klein-Gordon equation with nonlinear potential occurs in a wide range of application areas in science and engineering. Its computation represents a major challenge. The main theme of this paper is the construction of symmetric and arbitrarily high-order time integrators for the nonlinear Klein-Gordon equation by integrating Birkhoff-Hermite interpolation polynomials. To this end, under the assumption of periodic boundary conditions, we begin with the formulation of the nonlinear Klein-Gordon equation as an abstract second-order ordinary differential equation (ODE) and its operator-variation-of-constants formula. We then derive a symmetric and arbitrarily high-order Birkhoff-Hermite time integration formula for the nonlinear abstract ODE. Accordingly, the stability, convergence and long-time behaviour are rigorously analysed once the spatial differential operator is approximated by an appropriate positive semi-definite matrix, subject to suitable temporal and spatial smoothness. A remarkable characteristic of this new approach is that the requirement of temporal smoothness is reduced compared with the traditional numerical methods for PDEs in the literature. Numerical results demonstrate the advantage and efficiency of our time integrators in comparison with the existing numerical approaches.
On the Solution of Elliptic Partial Differential Equations on Regions with Corners

DTIC Science & Technology

2015-07-09

In this report we investigate the solution of boundary value problems on polygonal domains for elliptic partial differential equations . We observe...that when the problems are formulated as the boundary integral equations of classical potential theory, the solutions are representable by series of...efficient numerical algorithms. The results are illustrated by a number of numerical examples. On the solution of elliptic partial differential equations on
DOE Office of Scientific and Technical Information (OSTI.GOV)

Chou, Chia-Chun, E-mail: ccchou@mx.nthu.edu.tw

The Schrödinger–Langevin equation with linear dissipation is integrated by propagating an ensemble of Bohmian trajectories for the ground state of quantum systems. Substituting the wave function expressed in terms of the complex action into the Schrödinger–Langevin equation yields the complex quantum Hamilton–Jacobi equation with linear dissipation. We transform this equation into the arbitrary Lagrangian–Eulerian version with the grid velocity matching the flow velocity of the probability fluid. The resulting equation is simultaneously integrated with the trajectory guidance equation. Then, the computational method is applied to the harmonic oscillator, the double well potential, and the ground vibrational state of methyl iodide.more » The excellent agreement between the computational and the exact results for the ground state energies and wave functions shows that this study provides a synthetic trajectory approach to the ground state of quantum systems.« less
Local thermodynamics and the generalized Gibbs-Duhem equation in systems with long-range interactions.

PubMed

Latella, Ivan; Pérez-Madrid, Agustín

2013-10-01

The local thermodynamics of a system with long-range interactions in d dimensions is studied using the mean-field approximation. Long-range interactions are introduced through pair interaction potentials that decay as a power law in the interparticle distance. We compute the local entropy, Helmholtz free energy, and grand potential per particle in the microcanonical, canonical, and grand canonical ensembles, respectively. From the local entropy per particle we obtain the local equation of state of the system by using the condition of local thermodynamic equilibrium. This local equation of state has the form of the ideal gas equation of state, but with the density depending on the potential characterizing long-range interactions. By volume integration of the relation between the different thermodynamic potentials at the local level, we find the corresponding equation satisfied by the potentials at the global level. It is shown that the potential energy enters as a thermodynamic variable that modifies the global thermodynamic potentials. As a result, we find a generalized Gibbs-Duhem equation that relates the potential energy to the temperature, pressure, and chemical potential. For the marginal case where the power of the decaying interaction potential is equal to the dimension of the space, the usual Gibbs-Duhem equation is recovered. As examples of the application of this equation, we consider spatially uniform interaction potentials and the self-gravitating gas. We also point out a close relationship with the thermodynamics of small systems.
Shear viscosity of binary mixtures: The Gay-Berne potential

NASA Astrophysics Data System (ADS)

Khordad, R.

2012-05-01

The Gay-Berne (GB) potential model is an interesting and useful model to study the real systems. Using the potential model, we intend to examine the thermodynamical properties of some anisotropic binary mixtures in two different phases, liquid and gas. For this purpose, we apply the integral equation method and solve numerically the Percus-Yevick (PY) integral equation. Then, we obtain the expansion coefficients of correlation functions to calculate the thermodynamical properties. Finally, we compare our results with the available experimental data [e.g., HFC-125 + propane, R-125/143a, methanol + toluene, benzene + methanol, cyclohexane + ethanol, benzene + ethanol, carbon tetrachloride + ethyl acetate, and methanol + ethanol]. The results show that the GB potential model is capable for predicting the thermodynamical properties of binary mixtures with acceptable accuracy.
A finite-element analysis for steady and oscillatory subsonic flow around complex configurations

NASA Technical Reports Server (NTRS)

Chen, L. T.; Suciu, E. O.; Morino, L.

1974-01-01

The problem of potential subsonic flow around complex configurations is considered. The solution is given of an integral equation relating the values of the potential on the surface of the body to the values of the normal derivative, which is known from the boundary conditions. The surface of the body is divided into small (hyperboloidal quadrilateral) surface elements, which are described in terms of the Cartesian components of the four corner points. The values of the potential (and its normal derivative) within each element is assumed to be constant and equal to its value at the centroid of the element. The coefficients of the equation are given by source and doublet integrals over the surface elements. Closed form evaluations of the integrals are presented. The results obtained with the above formulation are compared with existing analytical and experimental results.
Simulation Of Wave Function And Probability Density Of Modified Poschl Teller Potential Derived Using Supersymmetric Quantum Mechanics

NASA Astrophysics Data System (ADS)

Angraini, Lily Maysari; Suparmi, Variani, Viska Inda

2010-12-01

SUSY quantum mechanics can be applied to solve Schrodinger equation for high dimensional system that can be reduced into one dimensional system and represented in lowering and raising operators. Lowering and raising operators can be obtained using relationship between original Hamiltonian equation and the (super) potential equation. In this paper SUSY quantum mechanics is used as a method to obtain the wave function and the energy level of the Modified Poschl Teller potential. The graph of wave function equation and probability density is simulated by using Delphi 7.0 programming language. Finally, the expectation value of quantum mechanics operator could be calculated analytically using integral form or probability density graph resulted by the programming.
Eigen solutions and entropic system for Hellmann potential in the presence of the Schrödinger equation

NASA Astrophysics Data System (ADS)

Onate, C. A.; Onyeaju, M. C.; Ikot, A. N.; Ebomwonyi, O.

2017-11-01

By using the supersymmetric approach, we studied the approximate analytic solutions of the three-dimensional Schrödinger equation with the Hellmann potential by applying a suitable approximation scheme to the centrifugal term. The solutions of other useful potentials, such as Coulomb potential and Yukawa potential, are obtained by transformation of variables from the Hellmann potential. Finally, we calculated the Tsallis entropy and Rényi entropy both in position and momentum spaces under the Hellmann potential using integral method. The effects of these entropies on the angular momentum quantum number are investigated in detail.
A momentum-space formulation without partial wave decomposition for scattering of two spin-half particles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fachruddin, Imam, E-mail: imam.fachruddin@sci.ui.ac.id; Salam, Agus

2016-03-11

A new momentum-space formulation for scattering of two spin-half particles, both either identical or unidentical, is formulated. As basis states the free linear-momentum states are not expanded into the angular-momentum states, the system’s spin states are described by the product of the spin states of the two particles, and the system’s isospin states by the total isospin states of the two particles. We evaluate the Lippmann-Schwinger equations for the T-matrix elements in these basis states. The azimuthal behavior of the potential and of the T-matrix elements leads to a set of coupled integral equations for the T-matrix elements in twomore » variables only, which are the magnitude of the relative momentum and the scattering angle. Some symmetry relations for the potential and the T-matrix elements reduce the number of the integral equations to be solved. A set of six spin operators to express any interaction of two spin-half particles is introduced. We show the spin-averaged differential cross section as being calculated in terms of the solution of the set of the integral equations.« less
On the Debye-Hückel effect of electric screening

NASA Astrophysics Data System (ADS)

Campos, L. M. B. C.; Lau, F. J. P.

2014-07-01

The paper considers non-linear self-consistent electric potential equation (Sec. I), due to a cloud made of a single species of electric charges, satisfying a Boltzmann distribution law (Sec. II). Exact solutions are obtained in a simple logarithmic form, in three cases: (Sec. III) spherical radial symmetry; (Sec. IV) plane parallel symmetry; (Sec. V) a special case of azimuthal-cylindrical symmetry. All these solutions, and their transformations (Sec. VI), involve the Debye-Hückel radius; the latter was originally defined from a solution of the linearized self-consistent potential equation. Using an exact solution of the self-consistent potential equation, the distance at which the potential vanishes differs from the Debye-Hückel radius by a factor of √2 . The preceding (Secs. II-VI) simple logarithmic exact solutions of the self-consistent potential equations involve no arbitrary constants, and thus are special or singular integrals not the general integral. The general solution of the self-consistent potential equation is obtained in the plane parallel case (Sec. VII), and it involves two arbitrary constants that can be reduced to one via a translation (Sec. VIII). The plots of dimensionless potential (Figure 1), electric field (Figure 2), charge density (Figure 3), and total charge between ζ and infinity (Figure 4), versus distance normalized to Debye-Hückel radius ζ ≡ z/a, show that (Sec. IX) there is a continuum of solutions, ranging from a charge distribution concentrated inside the Debye-Hückel radius to one spread-out beyond it. The latter case leads to the limiting case of logarithmic potential, and stronger electric field; the former case, of very concentrated charge distribution, leads to a fratricide effect and weaker electric field.
Volume integrals associated with the inhomogeneous Helmholtz equation. Part 1: Ellipsoidal region

NASA Technical Reports Server (NTRS)

Fu, L. S.; Mura, T.

1983-01-01

Problems of wave phenomena in fields of acoustics, electromagnetics and elasticity are often reduced to an integration of the inhomogeneous Helmholtz equation. Results are presented for volume integrals associated with the Helmholtz operator, nabla(2) to alpha(2), for the case of an ellipsoidal region. By using appropriate Taylor series expansions and multinomial theorem, these volume integrals are obtained in series form for regions r 4' and r r', where r and r' are distances from the origin to the point of observation and source, respectively. Derivatives of these integrals are easily evaluated. When the wave number approaches zero, the results reduce directly to the potentials of variable densities.
Schwarzschild and linear potentials in Mannheim's model of conformal gravity

NASA Astrophysics Data System (ADS)

Phillips, Peter R.

2018-05-01

We study the equations of conformal gravity, as given by Mannheim, in the weak field limit, so that a linear approximation is adequate. Specialising to static fields with spherical symmetry, we obtain a second-order equation for one of the metric functions. We obtain the Green function for this equation, and represent the metric function in the form of integrals over the source. Near a compact source such as the Sun the solution no longer has a form that is compatible with observations. We conclude that a solution of Mannheim type (a Schwarzschild term plus a linear potential of galactic scale) cannot exist for these field equations.
A generalized linear integrate-and-fire neural model produces diverse spiking behaviors.

PubMed

Mihalaş, Stefan; Niebur, Ernst

2009-03-01

For simulations of neural networks, there is a trade-off between the size of the network that can be simulated and the complexity of the model used for individual neurons. In this study, we describe a generalization of the leaky integrate-and-fire model that produces a wide variety of spiking behaviors while still being analytically solvable between firings. For different parameter values, the model produces spiking or bursting, tonic, phasic or adapting responses, depolarizing or hyperpolarizing after potentials and so forth. The model consists of a diagonalizable set of linear differential equations describing the time evolution of membrane potential, a variable threshold, and an arbitrary number of firing-induced currents. Each of these variables is modified by an update rule when the potential reaches threshold. The variables used are intuitive and have biological significance. The model's rich behavior does not come from the differential equations, which are linear, but rather from complex update rules. This single-neuron model can be implemented using algorithms similar to the standard integrate-and-fire model. It is a natural match with event-driven algorithms for which the firing times are obtained as a solution of a polynomial equation.
A Generalized Linear Integrate-and-Fire Neural Model Produces Diverse Spiking Behaviors

PubMed Central

Mihalaş, Ştefan; Niebur, Ernst

2010-01-01

For simulations of neural networks, there is a trade-off between the size of the network that can be simulated and the complexity of the model used for individual neurons. In this study, we describe a generalization of the leaky integrate-and-fire model that produces a wide variety of spiking behaviors while still being analytically solvable between firings. For different parameter values, the model produces spiking or bursting, tonic, phasic or adapting responses, depolarizing or hyperpolarizing after potentials and so forth. The model consists of a diagonalizable set of linear differential equations describing the time evolution of membrane potential, a variable threshold, and an arbitrary number of firing-induced currents. Each of these variables is modified by an update rule when the potential reaches threshold. The variables used are intuitive and have biological significance. The model’s rich behavior does not come from the differential equations, which are linear, but rather from complex update rules. This single-neuron model can be implemented using algorithms similar to the standard integrate-and-fire model. It is a natural match with event-driven algorithms for which the firing times are obtained as a solution of a polynomial equation. PMID:18928368
Alternate solution to generalized Bernoulli equations via an integrating factor: an exact differential equation approach

NASA Astrophysics Data System (ADS)

Tisdell, C. C.

2017-08-01

Solution methods to exact differential equations via integrating factors have a rich history dating back to Euler (1740) and the ideas enjoy applications to thermodynamics and electromagnetism. Recently, Azevedo and Valentino presented an analysis of the generalized Bernoulli equation, constructing a general solution by linearizing the problem through a substitution. The purpose of this note is to present an alternative approach using 'exact methods', illustrating that a substitution and linearization of the problem is unnecessary. The ideas may be seen as forming a complimentary and arguably simpler approach to Azevedo and Valentino that have the potential to be assimilated and adapted to pedagogical needs of those learning and teaching exact differential equations in schools, colleges, universities and polytechnics. We illustrate how to apply the ideas through an analysis of the Gompertz equation, which is of interest in biomathematical models of tumour growth.
On the Debye–Hückel effect of electric screening

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campos, L. M. B. C.; Lau, F. J. P.

2014-07-15

The paper considers non-linear self-consistent electric potential equation (Sec. I), due to a cloud made of a single species of electric charges, satisfying a Boltzmann distribution law (Sec. II). Exact solutions are obtained in a simple logarithmic form, in three cases: (Sec. III) spherical radial symmetry; (Sec. IV) plane parallel symmetry; (Sec. V) a special case of azimuthal-cylindrical symmetry. All these solutions, and their transformations (Sec. VI), involve the Debye-Hückel radius; the latter was originally defined from a solution of the linearized self-consistent potential equation. Using an exact solution of the self-consistent potential equation, the distance at which the potentialmore » vanishes differs from the Debye-Hückel radius by a factor of √(2). The preceding (Secs. II–VI) simple logarithmic exact solutions of the self-consistent potential equations involve no arbitrary constants, and thus are special or singular integrals not the general integral. The general solution of the self-consistent potential equation is obtained in the plane parallel case (Sec. VII), and it involves two arbitrary constants that can be reduced to one via a translation (Sec. VIII). The plots of dimensionless potential (Figure 1), electric field (Figure 2), charge density (Figure 3), and total charge between ζ and infinity (Figure 4), versus distance normalized to Debye-Hückel radius ζ ≡ z/a, show that (Sec. IX) there is a continuum of solutions, ranging from a charge distribution concentrated inside the Debye-Hückel radius to one spread-out beyond it. The latter case leads to the limiting case of logarithmic potential, and stronger electric field; the former case, of very concentrated charge distribution, leads to a fratricide effect and weaker electric field.« less
Bending of Euler-Bernoulli nanobeams based on the strain-driven and stress-driven nonlocal integral models: a numerical approach

NASA Astrophysics Data System (ADS)

Oskouie, M. Faraji; Ansari, R.; Rouhi, H.

2018-04-01

Eringen's nonlocal elasticity theory is extensively employed for the analysis of nanostructures because it is able to capture nanoscale effects. Previous studies have revealed that using the differential form of the strain-driven version of this theory leads to paradoxical results in some cases, such as bending analysis of cantilevers, and recourse must be made to the integral version. In this article, a novel numerical approach is developed for the bending analysis of Euler-Bernoulli nanobeams in the context of strain- and stress-driven integral nonlocal models. This numerical approach is proposed for the direct solution to bypass the difficulties related to converting the integral governing equation into a differential equation. First, the governing equation is derived based on both strain-driven and stress-driven nonlocal models by means of the minimum total potential energy. Also, in each case, the governing equation is obtained in both strong and weak forms. To solve numerically the derived equations, matrix differential and integral operators are constructed based upon the finite difference technique and trapezoidal integration rule. It is shown that the proposed numerical approach can be efficiently applied to the strain-driven nonlocal model with the aim of resolving the mentioned paradoxes. Also, it is able to solve the problem based on the strain-driven model without inconsistencies of the application of this model that are reported in the literature.
The Application of a Boundary Integral Equation Method to the Prediction of Ducted Fan Engine Noise

NASA Technical Reports Server (NTRS)

Dunn, M. H.; Tweed, J.; Farassat, F.

1999-01-01

The prediction of ducted fan engine noise using a boundary integral equation method (BIEM) is considered. Governing equations for the BIEM are based on linearized acoustics and describe the scattering of incident sound by a thin, finite-length cylindrical duct in the presence of a uniform axial inflow. A classical boundary value problem (BVP) is derived that includes an axisymmetric, locally reacting liner on the duct interior. Using potential theory, the BVP is recast as a system of hypersingular boundary integral equations with subsidiary conditions. We describe the integral equation derivation and solution procedure in detail. The development of the computationally efficient ducted fan noise prediction program TBIEM3D, which implements the BIEM, and its utility in conducting parametric noise reduction studies are discussed. Unlike prediction methods based on spinning mode eigenfunction expansions, the BIEM does not require the decomposition of the interior acoustic field into its radial and axial components which, for the liner case, avoids the solution of a difficult complex eigenvalue problem. Numerical spectral studies are presented to illustrate the nexus between the eigenfunction expansion representation and BIEM results. We demonstrate BIEM liner capability by examining radiation patterns for several cases of practical interest.
Reduction of the two dimensional stationary Navier-Stokes problem to a sequence of Fredholm integral equations of the second kind

NASA Technical Reports Server (NTRS)

Gabrielsen, R. E.

1981-01-01

Present approaches to solving the stationary Navier-Stokes equations are of limited value; however, there does exist an equivalent representation of the problem that has significant potential in solving such problems. This is due to the fact that the equivalent representation consists of a sequence of Fredholm integral equations of the second kind, and the solving of this type of problem is very well developed. For the problem in this form, there is an excellent chance to also determine explicit error estimates, since bounded, rather than unbounded, linear operators are dealt with.

On square-integrability of solutions of the stationary Schrödinger equation for the quantum harmonic oscillator in two dimensional constant curvature spaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noguera, Norman, E-mail: norman.noguera@ucr.ac.cr; Rózga, Krzysztof, E-mail: krzysztof.rozga@upr.edu

In this work, one provides a justification of the condition that is usually imposed on the parameters of the hypergeometric equation, related to the solutions of the stationary Schrödinger equation for the harmonic oscillator in two-dimensional constant curvature spaces, in order to determine the solutions which are square-integrable. One proves that in case of negative curvature, it is a necessary condition of square integrability and in case of positive curvature, a necessary condition of regularity. The proof is based on the analytic continuation formulas for the hypergeometric function. It is observed also that the same is true in case ofmore » a slightly more general potential than the one for harmonic oscillator.« less
Integral Equations in Computational Electromagnetics: Formulations, Properties and Isogeometric Analysis

NASA Astrophysics Data System (ADS)

Lovell, Amy Elizabeth

Computational electromagnetics (CEM) provides numerical methods to simulate electromagnetic waves interacting with its environment. Boundary integral equation (BIE) based methods, that solve the Maxwell's equations in the homogeneous or piecewise homogeneous medium, are both efficient and accurate, especially for scattering and radiation problems. Development and analysis electromagnetic BIEs has been a very active topic in CEM research. Indeed, there are still many open problems that need to be addressed or further studied. A short and important list includes (1) closed-form or quasi-analytical solutions to time-domain integral equations, (2) catastrophic cancellations at low frequencies, (3) ill-conditioning due to high mesh density, multi-scale discretization, and growing electrical size, and (4) lack of flexibility due to re-meshing when increasing number of forward numerical simulations are involved in the electromagnetic design process. This dissertation will address those several aspects of boundary integral equations in computational electromagnetics. The first contribution of the dissertation is to construct quasi-analytical solutions to time-dependent boundary integral equations using a direct approach. Direct inverse Fourier transform of the time-harmonic solutions is not stable due to the non-existence of the inverse Fourier transform of spherical Hankel functions. Using new addition theorems for the time-domain Green's function and dyadic Green's functions, time-domain integral equations governing transient scattering problems of spherical objects are solved directly and stably for the first time. Additional, the direct time-dependent solutions, together with the newly proposed time-domain dyadic Green's functions, can enrich the time-domain spherical multipole theory. The second contribution is to create a novel method of moments (MoM) framework to solve electromagnetic boundary integral equation on subdivision surfaces. The aim is to avoid the meshing and re-meshing stages to accelerate the design process when the geometry needs to be updated. Two schemes to construct basis functions on the subdivision surface have been explored. One is to use the div-conforming basis function, and the other one is to create a rigorous iso-geometric approach based on the subdivision basis function with better smoothness properties. This new framework provides us better accuracy, more stability and high flexibility. The third contribution is a new stable integral equation formulation to avoid catastrophic cancellations due to low-frequency breakdown or dense-mesh breakdown. Many of the conventional integral equations and their associated post-processing operations suffer from numerical catastrophic cancellations, which can lead to ill-conditioning of the linear systems or serious accuracy problems. Examples includes low-frequency breakdown and dense mesh breakdown. Another instability may come from nontrivial null spaces of involving integral operators that might be related with spurious resonance or topology breakdown. This dissertation presents several sets of new boundary integral equations and studies their analytical properties. The first proposed formulation leads to the scalar boundary integral equations where only scalar unknowns are involved. Besides the requirements of gaining more stability and better conditioning in the resulting linear systems, multi-physics simulation is another driving force for new formulations. Scalar and vector potentials (rather than electromagnetic field) based formulation have been studied for this purpose. Those new contributions focus on different stages of boundary integral equations in an almost independent manner, e.g. isogeometric analysis framework can be used to solve different boundary integral equations, and the time-dependent solutions to integral equations from different formulations can be achieved through the same methodology proposed.
Non-autonomous multi-rogue waves for spin-1 coupled nonlinear Gross-Pitaevskii equation and management by external potentials.

PubMed

Li, Li; Yu, Fajun

2017-09-06

We investigate non-autonomous multi-rogue wave solutions in a three-component(spin-1) coupled nonlinear Gross-Pitaevskii(GP) equation with varying dispersions, higher nonlinearities, gain/loss and external potentials. The similarity transformation allows us to relate certain class of multi-rogue wave solutions of the spin-1 coupled nonlinear GP equation to the solutions of integrable coupled nonlinear Schrödinger(CNLS) equation. We study the effect of time-dependent quadratic potential on the profile and dynamic of non-autonomous rogue waves. With certain requirement on the backgrounds, some non-autonomous multi-rogue wave solutions exhibit the different shapes with two peaks and dip in bright-dark rogue waves. Then, the managements with external potential and dynamic behaviors of these solutions are investigated analytically. The results could be of interest in such diverse fields as Bose-Einstein condensates, nonlinear fibers and super-fluids.
Integral equation calculations for the photodisintegration process {sup 4}He({gamma},{ital n}){sup 3}He

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ellerkmann, G.; Sandhas, W.; Sofianos, S.A.

1996-06-01

Results obtained by solving Alt-Grassberger-Sandhas (AGS)-type integral equations for the photodisintegration of {sup 4}He, employing the Malfliet-Tjon potential, are compared with the latest experimental data. Good agreement between theory and experiment is found in electric dipole approximation for the total cross section, but the differential cross sections differ at higher energies. This discrepancy is reduced, but not fully removed by taking into account the electric quadrupole contributions. In order to get some feeling for the sensitivity to the underlying potential, we also show calculations based on the Yamaguchi potential. They differ from the Malfliet-Tjon results in a way which resemblesmore » the trends known from triton photodisintegration. {copyright} {ital 1996 The American Physical Society.}« less
Computational attributes of the integral form of the equation of transfer

NASA Technical Reports Server (NTRS)

Frankel, J. I.

1991-01-01

Difficulties can arise in radiative and neutron transport calculations when a highly anisotropic scattering phase function is present. In the presence of anisotropy, currently used numerical solutions are based on the integro-differential form of the linearized Boltzmann transport equation. This paper, departs from classical thought and presents an alternative numerical approach based on application of the integral form of the transport equation. Use of the integral formalism facilitates the following steps: a reduction in dimensionality of the system prior to discretization, the use of symbolic manipulation to augment the computational procedure, and the direct determination of key physical quantities which are derivable through the various Legendre moments of the intensity. The approach is developed in the context of radiative heat transfer in a plane-parallel geometry, and results are presented and compared with existing benchmark solutions. Encouraging results are presented to illustrate the potential of the integral formalism for computation. The integral formalism appears to possess several computational attributes which are well-suited to radiative and neutron transport calculations.
Proceedings of the American Towing Tank Conference (21st) Held in Washington, DC. on 5-7th August 1986,

DTIC Science & Technology

1987-08-01

have been lenge of all in the yachting world: the involved has been innovative and produc- recovery of the America’s cup. tive. Much has been achieved...system. This patented device is an Reynolds numbers, and consequently more pro- exciting innovation , with potential applica- nounced viscous flow...yields an integral equation for the pressure which can be converted to a manage - able non-homogeneous integral equation by means of a Fourier transform
Volterra integral equation-factorisation method and nucleus-nucleus elastic scattering

NASA Astrophysics Data System (ADS)

Laha, U.; Majumder, M.; Bhoi, J.

2018-04-01

An approximate solution for the nuclear Hulthén plus atomic Hulthén potentials is constructed by solving the associated Volterra integral equation by series substitution method. Within the framework of supersymmetry-inspired factorisation method, this solution is exploited to construct higher partial wave interactions. The merit of our approach is examined by computing elastic scattering phases of the α {-}α system by the judicious use of phase function method. Reasonable agreements in phase shifts are obtained with standard data.
Confining potential in momentum space

NASA Technical Reports Server (NTRS)

Norbury, John W.; Kahana, David E.; Maung, Khin Maung

1992-01-01

A method is presented for the solution in momentum space of the bound state problem with a linear potential in r space. The potential is unbounded at large r leading to a singularity at small q. The singularity is integrable, when regulated by exponentially screening the r-space potential, and is removed by a subtraction technique. The limit of zero screening is taken analytically, and the numerical solution of the subtracted integral equation gives eigenvalues and wave functions in good agreement with position space calculations.
Deformed coset models from gauged WZW actions

NASA Astrophysics Data System (ADS)

Park, Q.-Han

1994-06-01

A general Lagrangian formulation of integrably deformed G/H-coset models is given. We consider the G/H-coset model in terms of the gauged Wess-Zumino-Witten action and obtain an integrable deformation by adding a potential energy term Tr(gTg -1overlineT) , where algebra elements T, overlineT belong to the center of the algebra h associated with the subgroup H. We show that the classical equation of motion of the deformed coset model can be identified with the integrability condition of certain linear equations which makes the use of the inverse scattering method possible. Using the linear equation, we give a systematic way to construct infinitely many conserved currents as well as soliton solutions. In the case of the parafermionic SU(2)/U(1)-coset model, we derive n-solitons and conserved currents explicitly.
Extended resolvent and inverse scattering with an application to KPI

NASA Astrophysics Data System (ADS)

Boiti, M.; Pempinelli, F.; Pogrebkov, A. K.; Prinari, B.

2003-08-01

We present in detail an extended resolvent approach for investigating linear problems associated to 2+1 dimensional integrable equations. Our presentation is based as an example on the nonstationary Schrödinger equation with potential being a perturbation of the one-soliton potential by means of a decaying two-dimensional function. Modification of the inverse scattering theory as well as properties of the Jost solutions and spectral data as follows from the resolvent approach are given.
Matrix Methods for Solving Hartree-Fock Equations in Atomic Structure Calculations and Line Broadening

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gomez, Thomas; Nagayama, Taisuke; Fontes, Chris

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

DOE PAGES

Gomez, Thomas; Nagayama, Taisuke; Fontes, Chris; ...

2018-04-23

Atomic structure of N-electron atoms is often determined by solving the Hartree-Fock equations, which are a set of integro-differential equations. The integral part of the Hartree-Fock equations treats electron exchange, but the Hartree-Fock equations are not often treated as an integro-differential equation. The exchange term is often approximated as an inhomogeneous or an effective potential so that the Hartree-Fock equations become a set of ordinary differential equations (which can be solved using the usual shooting methods). Because the Hartree-Fock equations are an iterative-refinement method, the inhomogeneous term relies on the previous guess of the wavefunction. In addition, there are numericalmore » complications associated with solving inhomogeneous differential equations. This work uses matrix methods to solve the Hartree-Fock equations as an integro-differential equation. It is well known that a derivative operator can be expressed as a matrix made of finite-difference coefficients; energy eigenvalues and eigenvectors can be obtained by using linear-algebra packages. The integral (exchange) part of the Hartree-Fock equation can be approximated as a sum and written as a matrix. The Hartree-Fock equations can be solved as a matrix that is the sum of the differential and integral matrices. We compare calculations using this method against experiment and standard atomic structure calculations. This matrix method can also be used to solve for free-electron wavefunctions, thus improving how the atoms and free electrons interact. Here, this technique is important for spectral line broadening in two ways: it improves the atomic structure calculations, and it improves the motion of the plasma electrons that collide with the atom.« less
Partner symmetries of the complex Monge Ampère equation yield hyper-Kähler metrics without continuous symmetries

NASA Astrophysics Data System (ADS)

Malykh, A. A.; Nutku, Y.; Sheftel, M. B.

2003-10-01

We extend the Mason-Newman Lax pair for the elliptic complex Monge-Ampère equation so that this equation itself emerges as an algebraic consequence. We regard the function in the extended Lax equations as a complex potential. Their differential compatibility condition coincides with the determining equation for the symmetries of the complex Monge-Ampère equation. We shall identify the real and imaginary parts of the potential, which we call partner symmetries, with the translational and dilatational symmetry characteristics, respectively. Then we choose the dilatational symmetry characteristic as the new unknown replacing the Kähler potential. This directly leads to a Legendre transformation. Studying the integrability conditions of the Legendre-transformed system we arrive at a set of linear equations satisfied by a single real potential. This enables us to construct non-invariant solutions of the Legendre transform of the complex Monge-Ampère equation. Using these solutions we obtained explicit Legendre-transformed hyper-Kähler metrics with a anti-self-dual Riemann curvature 2-form that admit no Killing vectors. They satisfy the Einstein field equations with Euclidean signature. We give the detailed derivation of the solution announced earlier and present a new solution with an added parameter. We compare our method of partner symmetries for finding non-invariant solutions to that of Dunajski and Mason who use 'hidden' symmetries for the same purpose.
Spheroidal Integral Equations for Geodetic Inversion of Geopotential Gradients

NASA Astrophysics Data System (ADS)

Novák, Pavel; Šprlák, Michal

2018-03-01

The static Earth's gravitational field has traditionally been described in geodesy and geophysics by the gravitational potential (geopotential for short), a scalar function of 3-D position. Although not directly observable, geopotential functionals such as its first- and second-order gradients are routinely measured by ground, airborne and/or satellite sensors. In geodesy, these observables are often used for recovery of the static geopotential at some simple reference surface approximating the actual Earth's surface. A generalized mathematical model is represented by a surface integral equation which originates in solving Dirichlet's boundary-value problem of the potential theory defined for the harmonic geopotential, spheroidal boundary and globally distributed gradient data. The mathematical model can be used for combining various geopotential gradients without necessity of their re-sampling or prior continuation in space. The model extends the apparatus of integral equations which results from solving boundary-value problems of the potential theory to all geopotential gradients observed by current ground, airborne and satellite sensors. Differences between spherical and spheroidal formulations of integral kernel functions of Green's kind are investigated. Estimated differences reach relative values at the level of 3% which demonstrates the significance of spheroidal approximation for flattened bodies such as the Earth. The observation model can be used for combined inversion of currently available geopotential gradients while exploring their spectral and stochastic characteristics. The model would be even more relevant to gravitational field modelling of other bodies in space with more pronounced spheroidal geometry than that of the Earth.
A Potential Function Derivation of a Constitutive Equation for Inelastic Material Response

NASA Technical Reports Server (NTRS)

Stouffer, D. C.; Elfoutouh, N. A.

1983-01-01

Physical and thermodynamic concepts are used to develop a potential function for application to high temperature polycrystalline material response. Inherent in the formulation is a differential relationship between the potential function and constitutive equation in terms of the state variables. Integration of the differential relationship produces a state variable evolution equation that requires specification of the initial value of the state variable and its time derivative. It is shown that the initial loading rate, which is directly related to the initial hardening rate, can significantly influence subsequent material response. This effect is consistent with observed material behavior on the macroscopic and microscopic levels, and may explain the wide scatter in response often found in creep testing.
Relation of Different Type Love-Shida Numbers Determined with the Use of Time-Varying Incremental Gravitational Potential

NASA Astrophysics Data System (ADS)

Varga, Peter; Grafarend, Erik; Engels, Johannes

2017-03-01

There are different equations to describe relations between different classes of Love-Shida numbers. In this study with the use of the time-varying gravitational potential an integral relation was obtained which connects tidal Love-Shida numbers (h, l, k), load numbers (h', l', k'), potential free Love-Shida numbers generated by normal (h″, l″, k″) and horizontal (h‴, l‴, k‴) stresses. The equations obtained in frame of present study is the only one which - holds for every type of Love-Shida numbers, - describes a relationship not between different, but the same type of Love-Shida numbers, - does not follow from the sixth-order differential equation system of motion usually applied to calculate the Love-Shida numbers.
Application of the Green's function method for 2- and 3-dimensional steady transonic flows

NASA Technical Reports Server (NTRS)

Tseng, K.

1984-01-01

A Time-Domain Green's function method for the nonlinear time-dependent three-dimensional aerodynamic potential equation is presented. The Green's theorem is being used to transform the partial differential equation into an integro-differential-delay equation. Finite-element and finite-difference methods are employed for the spatial and time discretizations to approximate the integral equation by a system of differential-delay equations. Solution may be obtained by solving for this nonlinear simultaneous system of equations in time. This paper discusses the application of the method to the Transonic Small Disturbance Equation and numerical results for lifting and nonlifting airfoils and wings in steady flows are presented.
Elimination of secular terms from the differential equations for the elements of perturbed two-body motion

NASA Technical Reports Server (NTRS)

Bond, Victor R.; Fraietta, Michael F.

1991-01-01

In 1961, Sperling linearized and regularized the differential equations of motion of the two-body problem by changing the independent variable from time to fictitious time by Sundman's transformation (r = dt/ds) and by embedding the two-body energy integral and the Laplace vector. In 1968, Burdet developed a perturbation theory which was uniformly valid for all types of orbits using a variation of parameters approach on the elements which appeared in Sperling's equations for the two-body solution. In 1973, Bond and Hanssen improved Burdet's set of differential equations by embedding the total energy (which is a constant when the potential function is explicitly dependent upon time.) The Jacobian constant was used as an element to replace the total energy in a reformulation of the differential equations of motion. In the process, another element which is proportional to a component of the angular momentum was introduced. Recently trajectories computed during numerical studies of atmospheric entry from circular orbits and low thrust beginning in near-circular orbits exhibited numerical instability when solved by the method of Bond and Gottlieb (1989) for long time intervals. It was found that this instability was due to secular terms which appear on the righthand sides of the differential equations of some of the elements. In this paper, this instability is removed by the introduction of another vector integral called the delta integral (which replaces the Laplace Vector) and another scalar integral which removes the secular terms. The introduction of these integrals requires a new derivation of the differential equations for most of the elements. For this rederivation, the Lagrange method of variation of parameters is used, making the development more concise. Numerical examples of this improvement are presented.
Integral equation methods for vesicle electrohydrodynamics in three dimensions

NASA Astrophysics Data System (ADS)

Veerapaneni, Shravan

2016-12-01

In this paper, we develop a new boundary integral equation formulation that describes the coupled electro- and hydro-dynamics of a vesicle suspended in a viscous fluid and subjected to external flow and electric fields. The dynamics of the vesicle are characterized by a competition between the elastic, electric and viscous forces on its membrane. The classical Taylor-Melcher leaky-dielectric model is employed for the electric response of the vesicle and the Helfrich energy model combined with local inextensibility is employed for its elastic response. The coupled governing equations for the vesicle position and its transmembrane electric potential are solved using a numerical method that is spectrally accurate in space and first-order in time. The method uses a semi-implicit time-stepping scheme to overcome the numerical stiffness associated with the governing equations.
Normal compression wave scattering by a permeable crack in a fluid-saturated poroelastic solid

NASA Astrophysics Data System (ADS)

Song, Yongjia; Hu, Hengshan; Rudnicki, John W.

2017-04-01

A mathematical formulation is presented for the dynamic stress intensity factor (mode I) of a finite permeable crack subjected to a time-harmonic propagating longitudinal wave in an infinite poroelastic solid. In particular, the effect of the wave-induced fluid flow due to the presence of a liquid-saturated crack on the dynamic stress intensity factor is analyzed. Fourier sine and cosine integral transforms in conjunction with Helmholtz potential theory are used to formulate the mixed boundary-value problem as dual integral equations in the frequency domain. The dual integral equations are reduced to a Fredholm integral equation of the second kind. It is found that the stress intensity factor monotonically decreases with increasing frequency, decreasing the fastest when the crack width and the slow wave wavelength are of the same order. The characteristic frequency at which the stress intensity factor decays the fastest shifts to higher frequency values when the crack width decreases.

Accurate radiative transfer calculations for layered media.

PubMed

Selden, Adrian C

2016-07-01

Simple yet accurate results for radiative transfer in layered media with discontinuous refractive index are obtained by the method of K-integrals. These are certain weighted integrals applied to the angular intensity distribution at the refracting boundaries. The radiative intensity is expressed as the sum of the asymptotic angular intensity distribution valid in the depth of the scattering medium and a transient term valid near the boundary. Integrated boundary equations are obtained, yielding simple linear equations for the intensity coefficients, enabling the angular emission intensity and the diffuse reflectance (albedo) and transmittance of the scattering layer to be calculated without solving the radiative transfer equation directly. Examples are given of half-space, slab, interface, and double-layer calculations, and extensions to multilayer systems are indicated. The K-integral method is orders of magnitude more accurate than diffusion theory and can be applied to layered scattering media with a wide range of scattering albedos, with potential applications to biomedical and ocean optics.
Method of mechanical quadratures for solving singular integral equations of various types

NASA Astrophysics Data System (ADS)

Sahakyan, A. V.; Amirjanyan, H. A.

2018-04-01

The method of mechanical quadratures is proposed as a common approach intended for solving the integral equations defined on finite intervals and containing Cauchy-type singular integrals. This method can be used to solve singular integral equations of the first and second kind, equations with generalized kernel, weakly singular equations, and integro-differential equations. The quadrature rules for several different integrals represented through the same coefficients are presented. This allows one to reduce the integral equations containing integrals of different types to a system of linear algebraic equations.
An integral equation formulation for rigid bodies in Stokes flow in three dimensions

NASA Astrophysics Data System (ADS)

Corona, Eduardo; Greengard, Leslie; Rachh, Manas; Veerapaneni, Shravan

2017-03-01

We present a new derivation of a boundary integral equation (BIE) for simulating the three-dimensional dynamics of arbitrarily-shaped rigid particles of genus zero immersed in a Stokes fluid, on which are prescribed forces and torques. Our method is based on a single-layer representation and leads to a simple second-kind integral equation. It avoids the use of auxiliary sources within each particle that play a role in some classical formulations. We use a spectrally accurate quadrature scheme to evaluate the corresponding layer potentials, so that only a small number of spatial discretization points per particle are required. The resulting discrete sums are computed in O (n) time, where n denotes the number of particles, using the fast multipole method (FMM). The particle positions and orientations are updated by a high-order time-stepping scheme. We illustrate the accuracy, conditioning and scaling of our solvers with several numerical examples.
Analytical and numerical solutions for heat transfer and effective thermal conductivity of cracked media

NASA Astrophysics Data System (ADS)

Tran, A. B.; Vu, M. N.; Nguyen, S. T.; Dong, T. Q.; Le-Nguyen, K.

2018-02-01

This paper presents analytical solutions to heat transfer problems around a crack and derive an adaptive model for effective thermal conductivity of cracked materials based on singular integral equation approach. Potential solution of heat diffusion through two-dimensional cracked media, where crack filled by air behaves as insulator to heat flow, is obtained in a singular integral equation form. It is demonstrated that the temperature field can be described as a function of temperature and rate of heat flow on the boundary and the temperature jump across the cracks. Numerical resolution of this boundary integral equation allows determining heat conduction and effective thermal conductivity of cracked media. Moreover, writing this boundary integral equation for an infinite medium embedding a single crack under a far-field condition allows deriving the closed-form solution of temperature discontinuity on the crack and particularly the closed-form solution of temperature field around the crack. These formulas are then used to establish analytical effective medium estimates. Finally, the comparison between the developed numerical and analytical solutions allows developing an adaptive model for effective thermal conductivity of cracked media. This model takes into account both the interaction between cracks and the percolation threshold.
On the solution of the Helmholtz equation on regions with corners.

PubMed

Serkh, Kirill; Rokhlin, Vladimir

2016-08-16

In this paper we solve several boundary value problems for the Helmholtz equation on polygonal domains. We observe that when the problems are formulated as the boundary integral equations of potential theory, the solutions are representable by series of appropriately chosen Bessel functions. In addition to being analytically perspicuous, the resulting expressions lend themselves to the construction of accurate and efficient numerical algorithms. The results are illustrated by a number of numerical examples.
On the solution of the Helmholtz equation on regions with corners

PubMed Central

Serkh, Kirill; Rokhlin, Vladimir

2016-01-01

In this paper we solve several boundary value problems for the Helmholtz equation on polygonal domains. We observe that when the problems are formulated as the boundary integral equations of potential theory, the solutions are representable by series of appropriately chosen Bessel functions. In addition to being analytically perspicuous, the resulting expressions lend themselves to the construction of accurate and efficient numerical algorithms. The results are illustrated by a number of numerical examples. PMID:27482110
Extending the rubber rope: convergent series, divergent series and the integrating factor

NASA Astrophysics Data System (ADS)

McCartney, Mark

2013-06-01

A well-known mathematical puzzle regarding a worm crawling along an elastic rope is considered. The resulting generalizations provide examples for use in a teaching context including applications of series summation, the use of the integrating factor for the solution of differential equations, and the evaluation of definite integrals. A number of potential classroom exercises are given.
PAN AIR: A computer program for predicting subsonic or supersonic linear potential flows about arbitrary configurations using a higher order panel method. Volume 1: Theory document (version 3.0)

NASA Technical Reports Server (NTRS)

Epton, Michael A.; Magnus, Alfred E.

1990-01-01

An outline of the derivation of the differential equation governing linear subsonic and supersonic potential flow is given. The use of Green's Theorem to obtain an integral equation over the boundary surface is discussed. The engineering techniques incorporated in the Panel Aerodynamics (PAN AIR) program (a discretization method which solves the integral equation for arbitrary first order boundary conditions) are then discussed in detail. Items discussed include the construction of the compressibility transformation, splining techniques, imposition of the boundary conditions, influence coefficient computation (including the concept of the finite part of an integral), computation of pressure coefficients, and computation of forces and moments. Principal revisions to version 3.0 are the following: (1) appendices H and K more fully describe the Aerodynamic Influence Coefficient (AIC) construction; (2) appendix L now provides a complete description of the AIC solution process; (3) appendix P is new and discusses the theory for the new FDP module (which calculates streamlines and offbody points); and (4) numerous small corrections and revisions reflecting the MAG module rewrite.
Function-Space-Based Solution Scheme for the Size-Modified Poisson-Boltzmann Equation in Full-Potential DFT.

PubMed

Ringe, Stefan; Oberhofer, Harald; Hille, Christoph; Matera, Sebastian; Reuter, Karsten

2016-08-09

The size-modified Poisson-Boltzmann (MPB) equation is an efficient implicit solvation model which also captures electrolytic solvent effects. It combines an account of the dielectric solvent response with a mean-field description of solvated finite-sized ions. We present a general solution scheme for the MPB equation based on a fast function-space-oriented Newton method and a Green's function preconditioned iterative linear solver. In contrast to popular multigrid solvers, this approach allows us to fully exploit specialized integration grids and optimized integration schemes. We describe a corresponding numerically efficient implementation for the full-potential density-functional theory (DFT) code FHI-aims. We show that together with an additional Stern layer correction the DFT+MPB approach can describe the mean activity coefficient of a KCl aqueous solution over a wide range of concentrations. The high sensitivity of the calculated activity coefficient on the employed ionic parameters thereby suggests to use extensively tabulated experimental activity coefficients of salt solutions for a systematic parametrization protocol.
Analytical solutions for avalanche-breakdown voltages of single-diffused Gaussian junctions

NASA Astrophysics Data System (ADS)

Shenai, K.; Lin, H. C.

1983-03-01

Closed-form solutions of the potential difference between the two edges of the depletion layer of a single diffused Gaussian p-n junction are obtained by integrating Poisson's equation and equating the magnitudes of the positive and negative charges in the depletion layer. By using the closed form solution of the static Poisson's equation and Fulop's average ionization coefficient, the ionization integral in the depletion layer is computed, which yields the correct values of avalanche breakdown voltage, depletion layer thickness at breakdown, and the peak electric field as a function of junction depth. Newton's method is used for rapid convergence. A flowchart to perform the calculations with a programmable hand-held calculator, such as the TI-59, is shown.
Iso-chemical potential trajectories in the P-T plane for He II

NASA Technical Reports Server (NTRS)

Maytal, B.; Nissen, J. A.; Van Sciver, S. W.

1990-01-01

Trajectories of constant chemical potential in the P-T plane serve as an integral formulation of London's equation. The trajectories are useful for analysis and synthesis of fountain effect pump performance. A family of trajectories is generated from available numerical codes.
Symmetry breaking in two interacting populations of quadratic integrate-and-fire neurons.

PubMed

Ratas, Irmantas; Pyragas, Kestutis

2017-10-01

We analyze the dynamics of two coupled identical populations of quadratic integrate-and-fire neurons, which represent the canonical model for class I neurons near the spiking threshold. The populations are heterogeneous; they include both inherently spiking and excitable neurons. The coupling within and between the populations is global via synapses that take into account the finite width of synaptic pulses. Using a recently developed reduction method based on the Lorentzian ansatz, we derive a closed system of equations for the neuron's firing rates and the mean membrane potentials in both populations. The reduced equations are exact in the infinite-size limit. The bifurcation analysis of the equations reveals a rich variety of nonsymmetric patterns, including a splay state, antiphase periodic oscillations, chimera-like states, and chaotic oscillations as well as bistabilities between various states. The validity of the reduced equations is confirmed by direct numerical simulations of the finite-size networks.
Self-Consistent Sources for Integrable Equations Via Deformations of Binary Darboux Transformations

NASA Astrophysics Data System (ADS)

Chvartatskyi, Oleksandr; Dimakis, Aristophanes; Müller-Hoissen, Folkert

2016-08-01

We reveal the origin and structure of self-consistent source extensions of integrable equations from the perspective of binary Darboux transformations. They arise via a deformation of the potential that is central in this method. As examples, we obtain in particular matrix versions of self-consistent source extensions of the KdV, Boussinesq, sine-Gordon, nonlinear Schrödinger, KP, Davey-Stewartson, two-dimensional Toda lattice and discrete KP equation. We also recover a (2+1)-dimensional version of the Yajima-Oikawa system from a deformation of the pKP hierarchy. By construction, these systems are accompanied by a hetero binary Darboux transformation, which generates solutions of such a system from a solution of the source-free system and additionally solutions of an associated linear system and its adjoint. The essence of all this is encoded in universal equations in the framework of bidifferential calculus.
Symmetry breaking in two interacting populations of quadratic integrate-and-fire neurons

NASA Astrophysics Data System (ADS)

Ratas, Irmantas; Pyragas, Kestutis

2017-10-01

We analyze the dynamics of two coupled identical populations of quadratic integrate-and-fire neurons, which represent the canonical model for class I neurons near the spiking threshold. The populations are heterogeneous; they include both inherently spiking and excitable neurons. The coupling within and between the populations is global via synapses that take into account the finite width of synaptic pulses. Using a recently developed reduction method based on the Lorentzian ansatz, we derive a closed system of equations for the neuron's firing rates and the mean membrane potentials in both populations. The reduced equations are exact in the infinite-size limit. The bifurcation analysis of the equations reveals a rich variety of nonsymmetric patterns, including a splay state, antiphase periodic oscillations, chimera-like states, and chaotic oscillations as well as bistabilities between various states. The validity of the reduced equations is confirmed by direct numerical simulations of the finite-size networks.
On Leighton's comparison theorem

NASA Astrophysics Data System (ADS)

Ghatasheh, Ahmed; Weikard, Rudi

2017-06-01

We give a simple proof of a fairly flexible comparison theorem for equations of the type -(p (u‧ + su)) ‧ + rp (u‧ + su) + qu = 0 on a finite interval where 1 / p, r, s, and q are real and integrable. Flexibility is provided by two functions which may be chosen freely (within limits) according to the situation at hand. We illustrate this by presenting some examples and special cases which include Schrödinger equations with distributional potentials as well as Jacobi difference equations.
Scattering of electromagnetic plane wave from a perfect electric conducting strip placed at interface of topological insulator-chiral medium

NASA Astrophysics Data System (ADS)

Shoukat, Sobia; Naqvi, Qaisar A.

2016-12-01

In this manuscript, scattering from a perfect electric conducting strip located at planar interface of topological insulator (TI)-chiral medium is investigated using the Kobayashi Potential method. Longitudinal components of electric and magnetic vector potential in terms of unknown weighting function are considered. Use of related set of boundary conditions yields two algebraic equations and four dual integral equations (DIEs). Integrand of two DIEs are expanded in terms of the characteristic functions with expansion coefficients which must satisfy, simultaneously, the discontinuous property of the Weber-Schafheitlin integrals, required edge and boundary conditions. The resulting expressions are then combined with algebraic equations to express the weighting function in terms of expansion coefficients, these expansion coefficients are then substituted in remaining DIEs. The projection is applied using the Jacobi polynomials. This treatment yields matrix equation for expansion coefficients which is solved numerically. These unknown expansion coefficients are used to find the scattered field. The far zone scattering width is investigated with respect to different parameters of the geometry, i.e, chirality of chiral medium, angle of incidence, size of the strip. Significant effects of different parameters including TI parameter on the scattering width are noted.
An evaluation of three two-dimensional computational fluid dynamics codes including low Reynolds numbers and transonic Mach numbers

NASA Technical Reports Server (NTRS)

Hicks, Raymond M.; Cliff, Susan E.

1991-01-01

Full-potential, Euler, and Navier-Stokes computational fluid dynamics (CFD) codes were evaluated for use in analyzing the flow field about airfoils sections operating at Mach numbers from 0.20 to 0.60 and Reynolds numbers from 500,000 to 2,000,000. The potential code (LBAUER) includes weakly coupled integral boundary layer equations for laminar and turbulent flow with simple transition and separation models. The Navier-Stokes code (ARC2D) uses the thin-layer formulation of the Reynolds-averaged equations with an algebraic turbulence model. The Euler code (ISES) includes strongly coupled integral boundary layer equations and advanced transition and separation calculations with the capability to model laminar separation bubbles and limited zones of turbulent separation. The best experiment/CFD correlation was obtained with the Euler code because its boundary layer equations model the physics of the flow better than the other two codes. An unusual reversal of boundary layer separation with increasing angle of attack, following initial shock formation on the upper surface of the airfoil, was found in the experiment data. This phenomenon was not predicted by the CFD codes evaluated.
Ion Streaming Instabilities in Pair Ion Plasma and Localized Structure with Non-Thermal Electrons

NASA Astrophysics Data System (ADS)

Nasir Khattak, M.; Mushtaq, A.; Qamar, A.

2015-12-01

Pair ion plasma with a fraction of non-thermal electrons is considered. We investigate the effects of the streaming motion of ions on linear and nonlinear properties of unmagnetized, collisionless plasma by using the fluid model. A dispersion relation is derived, and the growth rate of streaming instabilities with effect of streaming motion of ions and non-thermal electrons is calculated. A qausi-potential approach is adopted to study the characteristics of ion acoustic solitons. An energy integral equation involving Sagdeev potential is derived during this process. The presence of the streaming term in the energy integral equation affects the structure of the solitary waves significantly along with non-thermal electrons. Possible application of the work to the space and laboratory plasmas are highlighted.
The Integration of Continuous and Discrete Latent Variable Models: Potential Problems and Promising Opportunities

ERIC Educational Resources Information Center

Bauer, Daniel J.; Curran, Patrick J.

2004-01-01

Structural equation mixture modeling (SEMM) integrates continuous and discrete latent variable models. Drawing on prior research on the relationships between continuous and discrete latent variable models, the authors identify 3 conditions that may lead to the estimation of spurious latent classes in SEMM: misspecification of the structural model,…
Exponential integrators in time-dependent density-functional calculations

NASA Astrophysics Data System (ADS)

Kidd, Daniel; Covington, Cody; Varga, Kálmán

2017-12-01

The integrating factor and exponential time differencing methods are implemented and tested for solving the time-dependent Kohn-Sham equations. Popular time propagation methods used in physics, as well as other robust numerical approaches, are compared to these exponential integrator methods in order to judge the relative merit of the computational schemes. We determine an improvement in accuracy of multiple orders of magnitude when describing dynamics driven primarily by a nonlinear potential. For cases of dynamics driven by a time-dependent external potential, the accuracy of the exponential integrator methods are less enhanced but still match or outperform the best of the conventional methods tested.

Quantum lattice representations for vector solitons in external potentials

NASA Astrophysics Data System (ADS)

Vahala, George; Vahala, Linda; Yepez, Jeffrey

2006-03-01

A quantum lattice algorithm is developed to examine the effect of an external potential well on exactly integrable vector Manakov solitons. It is found that the exact solutions to the coupled nonlinear Schrodinger equations act like quasi-solitons in weak potentials, leading to mode-locking, trapping and untrapping. Stronger potential wells will lead to the emission of radiation modes from the quasi-soliton initial conditions. If the external potential is applied to that particular mode polarization, then the radiation will be trapped within the potential well. The algorithm developed leads to a finite difference scheme that is unconditionally stable. The Manakov system in an external potential is very closely related to the Gross-Pitaevskii equation for the ground state wave functions of a coupled BEC state at T=0 K.
On nonsingular potentials of Cox-Thompson inversion scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Palmai, Tamas; Apagyi, Barnabas

2010-02-15

We establish a condition for obtaining nonsingular potentials using the Cox-Thompson inverse scattering method with one phase shift. The anomalous singularities of the potentials are avoided by maintaining unique solutions of the underlying Regge-Newton integral equation for the transformation kernel. As a by-product, new inequality sequences of zeros of Bessel functions are discovered.
Simple iterative construction of the optimized effective potential for orbital functionals, including exact exchange.

PubMed

Kümmel, Stephan; Perdew, John P

2003-01-31

For exchange-correlation functionals that depend explicitly on the Kohn-Sham orbitals, the potential V(xcsigma)(r) must be obtained as the solution of the optimized effective potential (OEP) integral equation. This is very demanding and has limited the use of orbital functionals. We demonstrate that instead the OEP can be obtained iteratively by solving the partial differential equations for the orbital shifts that exactify the Krieger-Li-Iafrate approximation. Unoccupied orbitals do not need to be calculated. Accuracy and efficiency of the method are shown for atoms and clusters using the exact-exchange energy. Counterintuitive asymptotic limits of the exact OEP are presented.
Wave function for time-dependent harmonically confined electrons in a time-dependent electric field.

PubMed

Li, Yu-Qi; Pan, Xiao-Yin; Sahni, Viraht

2013-09-21

The many-body wave function of a system of interacting particles confined by a time-dependent harmonic potential and perturbed by a time-dependent spatially homogeneous electric field is derived via the Feynman path-integral method. The wave function is comprised of a phase factor times the solution to the unperturbed time-dependent Schrödinger equation with the latter being translated by a time-dependent value that satisfies the classical driven equation of motion. The wave function reduces to that of the Harmonic Potential Theorem wave function for the case of the time-independent harmonic confining potential.
Multiexponential models of (1+1)-dimensional dilaton gravity and Toda-Liouville integrable models

NASA Astrophysics Data System (ADS)

de Alfaro, V.; Filippov, A. T.

2010-01-01

We study general properties of a class of two-dimensional dilaton gravity (DG) theories with potentials containing several exponential terms. We isolate and thoroughly study a subclass of such theories in which the equations of motion reduce to Toda and Liouville equations. We show that the equation parameters must satisfy a certain constraint, which we find and solve for the most general multiexponential model. It follows from the constraint that integrable Toda equations in DG theories generally cannot appear without accompanying Liouville equations. The most difficult problem in the two-dimensional Toda-Liouville (TL) DG is to solve the energy and momentum constraints. We discuss this problem using the simplest examples and identify the main obstacles to solving it analytically. We then consider a subclass of integrable two-dimensional theories where scalar matter fields satisfy the Toda equations and the two-dimensional metric is trivial. We consider the simplest case in some detail. In this example, we show how to obtain the general solution. We also show how to simply derive wavelike solutions of general TL systems. In the DG theory, these solutions describe nonlinear waves coupled to gravity and also static states and cosmologies. For static states and cosmologies, we propose and study a more general one-dimensional TL model typically emerging in one-dimensional reductions of higher-dimensional gravity and supergravity theories. We especially attend to making the analytic structure of the solutions of the Toda equations as simple and transparent as possible.
Generalized recursive solutions to Ornstein-Zernike integral equations

NASA Astrophysics Data System (ADS)

Rossky, Peter J.; Dale, William D. T.

1980-09-01

Recursive procedures for the solution of a class of integral equations based on the Ornstein-Zernike equation are developed; the hypernetted chain and Percus-Yevick equations are two special cases of the class considered. It is shown that certain variants of the new procedures developed here are formally equivalent to those recently developed by Dale and Friedman, if the new recursive expressions are initialized in the same way as theirs. However, the computational solution of the new equations is significantly more efficient. Further, the present analysis leads to the identification of various graphical quantities arising in the earlier study with more familiar quantities related to pair correlation functions. The analysis is greatly facilitated by the use of several identities relating simple chain sums whose graphical elements can be written as a sum of two or more parts. In particular, the use of these identities permits renormalization of the equivalent series solution to the integral equation to be directly incorporated into the recursive solution in a straightforward manner. Formulas appropriate to renormalization with respect to long and short range parts of the pair potential, as well as more general components of the direct correlation function, are obtained. To further illustrate the utility of this approach, we show that a simple generalization of the hypernetted chain closure relation for the direct correlation function leads directly to the reference hypernetted chain (RHNC) equation due to Lado. The form of the correlation function used in the exponential approximation of Andersen and Chandler is then seen to be equivalent to the first estimate obtained from a renormalized RHNC equation.
A study of the use of abstract types for the representation of engineering units in integration and test applications

NASA Technical Reports Server (NTRS)

Johnson, Charles S.

1986-01-01

Physical quantities using various units of measurement can be well represented in Ada by the use of abstract types. Computation involving these quantities (electric potential, mass, volume) can also automatically invoke the computation and checking of some of the implicitly associable attributes of measurements. Quantities can be held internally in SI units, transparently to the user, with automatic conversion. Through dimensional analysis, the type of the derived quantity resulting from a computation is known, thereby allowing dynamic checks of the equations used. The impact of the possible implementation of these techniques in integration and test applications is discussed. The overhead of computing and transporting measurement attributes is weighed against the advantages gained by their use. The construction of a run time interpreter using physical quantities in equations can be aided by the dynamic equation checks provided by dimensional analysis. The effects of high levels of abstraction on the generation and maintenance of software used in integration and test applications are also discussed.
Time-local equation for exact time-dependent optimized effective potential in time-dependent density functional theory

NASA Astrophysics Data System (ADS)

Liao, Sheng-Lun; Ho, Tak-San; Rabitz, Herschel; Chu, Shih-I.

2017-04-01

Solving and analyzing the exact time-dependent optimized effective potential (TDOEP) integral equation has been a longstanding challenge due to its highly nonlinear and nonlocal nature. To meet the challenge, we derive an exact time-local TDOEP equation that admits a unique real-time solution in terms of time-dependent Kohn-Sham orbitals and effective memory orbitals. For illustration, the dipole evolution dynamics of a one-dimension-model chain of hydrogen atoms is numerically evaluated and examined to demonstrate the utility of the proposed time-local formulation. Importantly, it is shown that the zero-force theorem, violated by the time-dependent Krieger-Li-Iafrate approximation, is fulfilled in the current TDOEP framework. This work was partially supported by DOE.
Time-marching transonic flutter solutions including angle-of-attack effects

NASA Technical Reports Server (NTRS)

Edwards, J. W.; Bennett, R. M.; Whitlow, W., Jr.; Seidel, D. A.

1982-01-01

Transonic aeroelastic solutions based upon the transonic small perturbation potential equation were studied. Time-marching transient solutions of plunging and pitching airfoils were analyzed using a complex exponential modal identification technique, and seven alternative integration techniques for the structural equations were evaluated. The HYTRAN2 code was used to determine transonic flutter boundaries versus Mach number and angle-of-attack for NACA 64A010 and MBB A-3 airfoils. In the code, a monotone differencing method, which eliminates leading edge expansion shocks, is used to solve the potential equation. When the effect of static pitching moment upon the angle-of-attack is included, the MBB A-3 airfoil can have multiple flutter speeds at a given Mach number.
Homotopy perturbation method: a versatile tool to evaluate linear and nonlinear fuzzy Volterra integral equations of the second kind.

PubMed

Narayanamoorthy, S; Sathiyapriya, S P

2016-01-01

In this article, we focus on linear and nonlinear fuzzy Volterra integral equations of the second kind and we propose a numerical scheme using homotopy perturbation method (HPM) to obtain fuzzy approximate solutions to them. To facilitate the benefits of this proposal, an algorithmic form of the HPM is also designed to handle the same. In order to illustrate the potentiality of the approach, two test problems are offered and the obtained numerical results are compared with the existing exact solutions and are depicted in terms of plots to reveal its precision and reliability.
Including diverging electrostatic potential in 3D-RISM theory: The charged wall case.

PubMed

Vyalov, Ivan; Rocchia, Walter

2018-03-21

Although three-dimensional site-site molecular integral equations of liquids are a powerful tool of the modern theoretical chemistry, their applications to the problem of characterizing the electrical double layer originating at the solid-liquid interface with a macroscopic substrate are severely limited by the fact that an infinitely extended charged plane generates a divergent electrostatic potential. Such potentials cannot be treated within the standard 3D-Reference Interaction Site Model equation solution framework since it leads to functions that are not Fourier transformable. In this paper, we apply a renormalization procedure to overcome this obstacle. We then check the validity and numerical accuracy of the proposed computational scheme on the prototypical gold (111) surface in contact with water/alkali chloride solution. We observe that despite the proposed method requires, to achieve converged charge densities, a higher spatial resolution than that suited to the estimation of biomolecular solvation with either 3D-RISM or continuum electrostatics approaches, it still is computationally efficient. Introducing the electrostatic potential of an infinite wall, which is periodic in 2 dimensions, we avoid edge effects, permit a robust integration of Poisson's equation, and obtain the 3D electrostatic potential profile for the first time in such calculations. We show that the potential within the electrical double layer presents oscillations which are not grasped by the Debye-Hückel and Gouy-Chapman theories. This electrostatic potential deviates from its average of up to 1-2 V at small distances from the substrate along the lateral directions. Applications of this theoretical development are relevant, for example, for liquid scanning tunneling microscopy imaging.
Including diverging electrostatic potential in 3D-RISM theory: The charged wall case

NASA Astrophysics Data System (ADS)

Vyalov, Ivan; Rocchia, Walter

2018-03-01

Although three-dimensional site-site molecular integral equations of liquids are a powerful tool of the modern theoretical chemistry, their applications to the problem of characterizing the electrical double layer originating at the solid-liquid interface with a macroscopic substrate are severely limited by the fact that an infinitely extended charged plane generates a divergent electrostatic potential. Such potentials cannot be treated within the standard 3D-Reference Interaction Site Model equation solution framework since it leads to functions that are not Fourier transformable. In this paper, we apply a renormalization procedure to overcome this obstacle. We then check the validity and numerical accuracy of the proposed computational scheme on the prototypical gold (111) surface in contact with water/alkali chloride solution. We observe that despite the proposed method requires, to achieve converged charge densities, a higher spatial resolution than that suited to the estimation of biomolecular solvation with either 3D-RISM or continuum electrostatics approaches, it still is computationally efficient. Introducing the electrostatic potential of an infinite wall, which is periodic in 2 dimensions, we avoid edge effects, permit a robust integration of Poisson's equation, and obtain the 3D electrostatic potential profile for the first time in such calculations. We show that the potential within the electrical double layer presents oscillations which are not grasped by the Debye-Hückel and Gouy-Chapman theories. This electrostatic potential deviates from its average of up to 1-2 V at small distances from the substrate along the lateral directions. Applications of this theoretical development are relevant, for example, for liquid scanning tunneling microscopy imaging.
Fifth-order superintegrable quantum systems separating in Cartesian coordinates: Doubly exotic potentials

NASA Astrophysics Data System (ADS)

Abouamal, Ismail; Winternitz, Pavel

2018-02-01

We consider a two-dimensional quantum Hamiltonian separable in Cartesian coordinates and allowing a fifth-order integral of motion. We impose the superintegrablity condition and find all doubly exotic superintegrable potentials (i.e., potentials V(x, y) = V1(x) + V2(y), where neither V1(x) nor V2(y) satisfy a linear ordinary differential equation), allowing the existence of such an integral. All of these potentials are found to have the Painlevé property. Most of them are expressed in terms of known Painlevé transcendents or elliptic functions but some may represent new higher order Painlevé transcendents.
Boundary-integral methods in elasticity and plasticity. [solutions of boundary value problems

NASA Technical Reports Server (NTRS)

Mendelson, A.

1973-01-01

Recently developed methods that use boundary-integral equations applied to elastic and elastoplastic boundary value problems are reviewed. Direct, indirect, and semidirect methods using potential functions, stress functions, and displacement functions are described. Examples of the use of these methods for torsion problems, plane problems, and three-dimensional problems are given. It is concluded that the boundary-integral methods represent a powerful tool for the solution of elastic and elastoplastic problems.
An energy and potential enstrophy conserving scheme for the shallow water equations. [orography effects on atmospheric circulation

NASA Technical Reports Server (NTRS)

Arakawa, A.; Lamb, V. R.

1979-01-01

A three-dimensional finite difference scheme for the solution of the shallow water momentum equations which accounts for the conservation of potential enstrophy in the flow of a homogeneous incompressible shallow atmosphere over steep topography as well as for total energy conservation is presented. The scheme is derived to be consistent with a reasonable scheme for potential vorticity advection in a long-term integration for a general flow with divergent mass flux. Numerical comparisons of the characteristics of the present potential enstrophy-conserving scheme with those of a scheme that conserves potential enstrophy only for purely horizontal nondivergent flow are presented which demonstrate the reduction of computational noise in the wind field with the enstrophy-conserving scheme and its convergence even in relatively coarse grids.
Use of source distributions for evaluating theoretical aerodynamics of thin finite wings at supersonic speeds

NASA Technical Reports Server (NTRS)

Evvard, John C

1950-01-01

A series of publications on the source-distribution methods for evaluating the aerodynamics of thin wings at supersonic speeds is summarized, extended, and unified. Included in the first part are the deviations of: (a) the linearized partial-differential equation for unsteady flow at a substantially constant Mach number. b) The source-distribution solution for the perturbation-velocity potential that satisfies the boundary conditions of tangential flow at the surface and in the plane of the wing; and (c) the integral equation for determining the strength and the location of sources to describe the interaction effects (as represented by upwash) of the bottom and top wing surfaces through the region between the finite wing boundary and the foremost Mach wave. The second part deals with steady-state thin-wing problems. The third part of the report approximates the integral equation for unsteady upwash and includes a solution of approximate equation. Expressions are then derived to evaluate the load distributions for time-dependent finite-wing motions.
Stress and Fracture Analyses Under Elastic-plastic and Creep Conditions: Some Basic Developments and Computational Approaches

NASA Technical Reports Server (NTRS)

Reed, K. W.; Stonesifer, R. B.; Atluri, S. N.

1983-01-01

A new hybrid-stress finite element algorith, suitable for analyses of large quasi-static deformations of inelastic solids, is presented. Principal variables in the formulation are the nominal stress-rate and spin. A such, a consistent reformulation of the constitutive equation is necessary, and is discussed. The finite element equations give rise to an initial value problem. Time integration has been accomplished by Euler and Runge-Kutta schemes and the superior accuracy of the higher order schemes is noted. In the course of integration of stress in time, it has been demonstrated that classical schemes such as Euler's and Runge-Kutta may lead to strong frame-dependence. As a remedy, modified integration schemes are proposed and the potential of the new schemes for suppressing frame dependence of numerically integrated stress is demonstrated. The topic of the development of valid creep fracture criteria is also addressed.
Elementary functions in thermodynamic Bethe ansatz

NASA Astrophysics Data System (ADS)

Suzuki, J.

2015-05-01

Some years ago, Fendley found an explicit solution to the thermodynamic Bethe ansatz (TBA) equation for an N=2 supersymmetric theory in 2D with a specific F-term. Motivated by this, we seek explicit solutions for other super-potential cases utilizing the idea from the ODE/IM correspondence. We find that the TBA equations, corresponding to a wider class of super-potentials, admit solutions in terms of elementary functions such as modified Bessel functions and confluent hyper-geometric series. Based on talks given at ‘Infinite Analysis 2014’ (Tokyo, 2014) and at ‘Integrable lattice models and quantum field theories’ (Bad Honnef, 2014).
A new integrable equation combining the modified KdV equation with the negative-order modified KdV equation: multiple soliton solutions and a variety of solitonic solutions

NASA Astrophysics Data System (ADS)

Wazwaz, Abdul-Majid

2018-07-01

A new third-order integrable equation is constructed via combining the recursion operator of the modified KdV equation (MKdV) and its inverse recursion operator. The developed equation will be termed the modified KdV-negative order modified KdV equation (MKdV-nMKdV). The complete integrability of this equation is confirmed by showing that it nicely possesses the Painlevé property. We obtain multiple soliton solutions for the newly developed integrable equation. Moreover, this equation enjoys a variety of solutions which include solitons, peakons, cuspons, negaton, positon, complexiton and other solutions.
A Fourier spectral-discontinuous Galerkin method for time-dependent 3-D Schrödinger-Poisson equations with discontinuous potentials

NASA Astrophysics Data System (ADS)

Lu, Tiao; Cai, Wei

2008-10-01

In this paper, we propose a high order Fourier spectral-discontinuous Galerkin method for time-dependent Schrödinger-Poisson equations in 3-D spaces. The Fourier spectral Galerkin method is used for the two periodic transverse directions and a high order discontinuous Galerkin method for the longitudinal propagation direction. Such a combination results in a diagonal form for the differential operators along the transverse directions and a flexible method to handle the discontinuous potentials present in quantum heterojunction and supperlattice structures. As the derivative matrices are required for various time integration schemes such as the exponential time differencing and Crank Nicholson methods, explicit derivative matrices of the discontinuous Galerkin method of various orders are derived. Numerical results, using the proposed method with various time integration schemes, are provided to validate the method.

Estimating the Gibbs energy of hydration from molecular dynamics trajectories obtained by integral equations of the theory of liquids in the RISM approximation

NASA Astrophysics Data System (ADS)

Tikhonov, D. A.; Sobolev, E. V.

2011-04-01

A method of integral equations of the theory of liquids in the reference interaction site model (RISM) approximation is used to estimate the Gibbs energy averaged over equilibrium trajectories computed by molecular mechanics. Peptide oxytocin is selected as the object of interest. The Gibbs energy is calculated using all chemical potential formulas introduced in the RISM approach for the excess chemical potential of solvation and is compared with estimates by the generalized Born model. Some formulas are shown to give the wrong sign of Gibbs energy changes when peptide passes from the gas phase into water environment; the other formulas give overestimated Gibbs energy changes with the right sign. Note that allowance for the repulsive correction in the approximate analytical expressions for the Gibbs energy derived by thermodynamic perturbation theory is not a remedy.
Fast algorithms for Quadrature by Expansion I: Globally valid expansions

NASA Astrophysics Data System (ADS)

Rachh, Manas; Klöckner, Andreas; O'Neil, Michael

2017-09-01

The use of integral equation methods for the efficient numerical solution of PDE boundary value problems requires two main tools: quadrature rules for the evaluation of layer potential integral operators with singular kernels, and fast algorithms for solving the resulting dense linear systems. Classically, these tools were developed separately. In this work, we present a unified numerical scheme based on coupling Quadrature by Expansion, a recent quadrature method, to a customized Fast Multipole Method (FMM) for the Helmholtz equation in two dimensions. The method allows the evaluation of layer potentials in linear-time complexity, anywhere in space, with a uniform, user-chosen level of accuracy as a black-box computational method. Providing this capability requires geometric and algorithmic considerations beyond the needs of standard FMMs as well as careful consideration of the accuracy of multipole translations. We illustrate the speed and accuracy of our method with various numerical examples.
A path integral approach to the Hodgkin-Huxley model

NASA Astrophysics Data System (ADS)

Baravalle, Roman; Rosso, Osvaldo A.; Montani, Fernando

2017-11-01

To understand how single neurons process sensory information, it is necessary to develop suitable stochastic models to describe the response variability of the recorded spike trains. Spikes in a given neuron are produced by the synergistic action of sodium and potassium of the voltage-dependent channels that open or close the gates. Hodgkin and Huxley (HH) equations describe the ionic mechanisms underlying the initiation and propagation of action potentials, through a set of nonlinear ordinary differential equations that approximate the electrical characteristics of the excitable cell. Path integral provides an adequate approach to compute quantities such as transition probabilities, and any stochastic system can be expressed in terms of this methodology. We use the technique of path integrals to determine the analytical solution driven by a non-Gaussian colored noise when considering the HH equations as a stochastic system. The different neuronal dynamics are investigated by estimating the path integral solutions driven by a non-Gaussian colored noise q. More specifically we take into account the correlational structures of the complex neuronal signals not just by estimating the transition probability associated to the Gaussian approach of the stochastic HH equations, but instead considering much more subtle processes accounting for the non-Gaussian noise that could be induced by the surrounding neural network and by feedforward correlations. This allows us to investigate the underlying dynamics of the neural system when different scenarios of noise correlations are considered.
On integrability of the Killing equation

NASA Astrophysics Data System (ADS)

Houri, Tsuyoshi; Tomoda, Kentaro; Yasui, Yukinori

2018-04-01

Killing tensor fields have been thought of as describing the hidden symmetry of space(-time) since they are in one-to-one correspondence with polynomial first integrals of geodesic equations. Since many problems in classical mechanics can be formulated as geodesic problems in curved space and spacetime, solving the defining equation for Killing tensor fields (the Killing equation) is a powerful way to integrate equations of motion. Thus it has been desirable to formulate the integrability conditions of the Killing equation, which serve to determine the number of linearly independent solutions and also to restrict the possible forms of solutions tightly. In this paper, we show the prolongation for the Killing equation in a manner that uses Young symmetrizers. Using the prolonged equations, we provide the integrability conditions explicitly.
Numerical Solution of 3D Poisson-Nernst-Planck Equations Coupled with Classical Density Functional Theory for Modeling Ion and Electron Transport in a Confined Environment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meng, Da; Zheng, Bin; Lin, Guang

2014-08-29

We have developed efficient numerical algorithms for the solution of 3D steady-state Poisson-Nernst-Planck equations (PNP) with excess chemical potentials described by the classical density functional theory (cDFT). The coupled PNP equations are discretized by finite difference scheme and solved iteratively by Gummel method with relaxation. The Nernst-Planck equations are transformed into Laplace equations through the Slotboom transformation. Algebraic multigrid method is then applied to efficiently solve the Poisson equation and the transformed Nernst-Planck equations. A novel strategy for calculating excess chemical potentials through fast Fourier transforms is proposed which reduces computational complexity from O(N2) to O(NlogN) where N is themore » number of grid points. Integrals involving Dirac delta function are evaluated directly by coordinate transformation which yields more accurate result compared to applying numerical quadrature to an approximated delta function. Numerical results for ion and electron transport in solid electrolyte for Li ion batteries are shown to be in good agreement with the experimental data and the results from previous studies.« less
On the energy integral for first post-Newtonian approximation

NASA Astrophysics Data System (ADS)

O'Leary, Joseph; Hill, James M.; Bennett, James C.

2018-07-01

The post-Newtonian approximation for general relativity is widely adopted by the geodesy and astronomy communities. It has been successfully exploited for the inclusion of relativistic effects in practically all geodetic applications and techniques such as satellite/lunar laser ranging and very long baseline interferometry. Presently, the levels of accuracy required in geodetic techniques require that reference frames, planetary and satellite orbits and signal propagation be treated within the post-Newtonian regime. For arbitrary scalar W and vector gravitational potentials W^j (j=1,2,3), we present a novel derivation of the energy associated with a test particle in the post-Newtonian regime. The integral so obtained appears not to have been given previously in the literature and is deduced through algebraic manipulation on seeking a Jacobi-like integral associated with the standard post-Newtonian equations of motion. The new integral is independently verified through a variational formulation using the post-Newtonian metric components and is subsequently verified by numerical integration of the post-Newtonian equations of motion.
Fully Associative, Nonisothermal, Potential-Based Unified Viscoplastic Model for Titanium-Based Matrices

NASA Technical Reports Server (NTRS)

2005-01-01

A number of titanium matrix composite (TMC) systems are currently being investigated for high-temperature air frame and propulsion system applications. As a result, numerous computational methodologies for predicting both deformation and life for this class of materials are under development. An integral part of these methodologies is an accurate and computationally efficient constitutive model for the metallic matrix constituent. Furthermore, because these systems are designed to operate at elevated temperatures, the required constitutive models must account for both time-dependent and time-independent deformations. To accomplish this, the NASA Lewis Research Center is employing a recently developed, complete, potential-based framework. This framework, which utilizes internal state variables, was put forth for the derivation of reversible and irreversible constitutive equations. The framework, and consequently the resulting constitutive model, is termed complete because the existence of the total (integrated) form of the Gibbs complementary free energy and complementary dissipation potentials are assumed a priori. The specific forms selected here for both the Gibbs and complementary dissipation potentials result in a fully associative, multiaxial, nonisothermal, unified viscoplastic model with nonlinear kinematic hardening. This model constitutes one of many models in the Generalized Viscoplasticity with Potential Structure (GVIPS) class of inelastic constitutive equations.
Using EIGER for Antenna Design and Analysis

NASA Technical Reports Server (NTRS)

Champagne, Nathan J.; Khayat, Michael; Kennedy, Timothy F.; Fink, Patrick W.

2007-01-01

EIGER (Electromagnetic Interactions GenERalized) is a frequency-domain electromagnetics software package that is built upon a flexible framework, designed using object-oriented techniques. The analysis methods used include moment method solutions of integral equations, finite element solutions of partial differential equations, and combinations thereof. The framework design permits new analysis techniques (boundary conditions, Green#s functions, etc.) to be added to the software suite with a sensible effort. The code has been designed to execute (in serial or parallel) on a wide variety of platforms from Intel-based PCs and Unix-based workstations. Recently, new potential integration scheme s that avoid singularity extraction techniques have been added for integral equation analysis. These new integration schemes are required for facilitating the use of higher-order elements and basis functions. Higher-order elements are better able to model geometrical curvature using fewer elements than when using linear elements. Higher-order basis functions are beneficial for simulating structures with rapidly varying fields or currents. Results presented here will demonstrate curren t and future capabilities of EIGER with respect to analysis of installed antenna system performance in support of NASA#s mission of exploration. Examples include antenna coupling within an enclosed environment and antenna analysis on electrically large manned space vehicles.
Inverse scattering transform for the KPI equation on the background of a one-line soliton*Inverse scattering transform for the KPI equation on the background of a one-line soliton

NASA Astrophysics Data System (ADS)

Fokas, A. S.; Pogrebkov, A. K.

2003-03-01

We study the initial value problem of the Kadomtsev-Petviashvili I (KPI) equation with initial data u(x1,x2,0) = u1(x1)+u2(x1,x2), where u1(x1) is the one-soliton solution of the Korteweg-de Vries equation evaluated at zero time and u2(x1,x2) decays sufficiently rapidly on the (x1,x2)-plane. This involves the analysis of the nonstationary Schrödinger equation (with time replaced by x2) with potential u(x1,x2,0). We introduce an appropriate sectionally analytic eigenfunction in the complex k-plane where k is the spectral parameter. This eigenfunction has the novelty that in addition to the usual jump across the real k-axis, it also has a jump across a segment of the imaginary k-axis. We show that this eigenfunction can be reconstructed through a linear integral equation uniquely defined in terms of appropriate scattering data. In turn, these scattering data are uniquely constructed in terms of u1(x1) and u2(x1,x2). This result implies that the solution of the KPI equation can be obtained through the above linear integral equation where the scattering data have a simple t-dependence.
Quantum integrability and functional equations

NASA Astrophysics Data System (ADS)

Volin, Dmytro

2010-03-01

In this thesis a general procedure to represent the integral Bethe Ansatz equations in the form of the Reimann-Hilbert problem is given. This allows us to study in simple way integrable spin chains in the thermodynamic limit. Based on the functional equations we give the procedure that allows finding the subleading orders in the solution of various integral equations solved to the leading order by the Wiener-Hopf technics. The integral equations are studied in the context of the AdS/CFT correspondence, where their solution allows verification of the integrability conjecture up to two loops of the strong coupling expansion. In the context of the two-dimensional sigma models we analyze the large-order behavior of the asymptotic perturbative expansion. Obtained experience with the functional representation of the integral equations allowed us also to solve explicitly the crossing equations that appear in the AdS/CFT spectral problem.
Explicit solution of integrated 1 - exp equation for predicting accumulation and decline of concentrations for drugs obeying nonlinear saturation kinetics.

PubMed

Keller, Frieder; Hartmann, Bertram; Czock, David

2009-12-01

To describe nonlinear, saturable pharmacokinetics, the Michaelis-Menten equation is frequently used. However, the Michaelis-Menten equation has no integrated solution for concentrations but only for the time factor. Application of the Lambert W function was proposed recently to obtain an integrated solution of the Michaelis-Menten equation. As an alternative to the Michaelis-Menten equation, a 1 - exp equation has been used to describe saturable kinetics, with the advantage that the integrated 1 - exp equation has an explicit solution for concentrations. We used the integrated 1 - exp equation to predict the accumulation kinetics and the nonlinear concentration decline for a proposed fictive drug. In agreement with the recently proposed method, we found that for the integrated 1 - exp equation no steady state is obtained if the maximum rate of change in concentrations (Vmax) within interval (Tau) is less than the difference between peak and trough concentrations (Vmax x Tau < C peak - C trough).
Canonical fluid thermodynamics

NASA Technical Reports Server (NTRS)

Schmid, L. A.

1972-01-01

The space-time integral of the thermodynamic pressure plays the role of the thermodynamic potential for compressible, adiabatic flow in the sense that the pressure integral for stable flow is less than for all slightly different flows. This stability criterion can be converted into a variational minimum principle by requiring the molar free-enthalpy and the temperature, which are the arguments of the pressure function, to be generalized velocities, that is, the proper-time derivatives of scalar spare-time functions which are generalized coordinates in the canonical formalism. In a fluid context, proper-time differentiation must be expressed in terms of three independent quantities that specify the fluid velocity. This can be done in several ways, all of which lead to different variants (canonical transformations) of the same constraint-free action integral whose Euler-Lagrange equations are just the well-known equations of motion for adiabatic compressible flow.
Fokker-Planck description of conductance-based integrate-and-fire neuronal networks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kovacic, Gregor; Tao, Louis; Rangan, Aaditya V.

2009-08-15

Steady dynamics of coupled conductance-based integrate-and-fire neuronal networks in the limit of small fluctuations is studied via the equilibrium states of a Fokker-Planck equation. An asymptotic approximation for the membrane-potential probability density function is derived and the corresponding gain curves are found. Validity conditions are discussed for the Fokker-Planck description and verified via direct numerical simulations.
Path integral analysis of Jarzynski's equality: Analytical results

NASA Astrophysics Data System (ADS)

Minh, David D. L.; Adib, Artur B.

2009-02-01

We apply path integrals to study nonequilibrium work theorems in the context of Brownian dynamics, deriving in particular the equations of motion governing the most typical and most dominant trajectories. For the analytically soluble cases of a moving harmonic potential and a harmonic oscillator with a time-dependent natural frequency, we find such trajectories, evaluate the work-weighted propagators, and validate Jarzynski’s equality.
Iterative discrete ordinates solution of the equation for surface-reflected radiance

NASA Astrophysics Data System (ADS)

Radkevich, Alexander

2017-11-01

This paper presents a new method of numerical solution of the integral equation for the radiance reflected from an anisotropic surface. The equation relates the radiance at the surface level with BRDF and solutions of the standard radiative transfer problems for a slab with no reflection on its surfaces. It is also shown that the kernel of the equation satisfies the condition of the existence of a unique solution and the convergence of the successive approximations to that solution. The developed method features two basic steps: discretization on a 2D quadrature, and solving the resulting system of algebraic equations with successive over-relaxation method based on the Gauss-Seidel iterative process. Presented numerical examples show good coincidence between the surface-reflected radiance obtained with DISORT and the proposed method. Analysis of contributions of the direct and diffuse (but not yet reflected) parts of the downward radiance to the total solution is performed. Together, they represent a very good initial guess for the iterative process. This fact ensures fast convergence. The numerical evidence is given that the fastest convergence occurs with the relaxation parameter of 1 (no relaxation). An integral equation for BRDF is derived as inversion of the original equation. The potential of this new equation for BRDF retrievals is analyzed. The approach is found not viable as the BRDF equation appears to be an ill-posed problem, and it requires knowledge the surface-reflected radiance on the entire domain of both Sun and viewing zenith angles.
The fifth-order partial differential equation for the description of the α + β Fermi-Pasta-Ulam model

NASA Astrophysics Data System (ADS)

Kudryashov, Nikolay A.; Volkov, Alexandr K.

2017-01-01

We study a new nonlinear partial differential equation of the fifth order for the description of perturbations in the Fermi-Pasta-Ulam mass chain. This fifth-order equation is an expansion of the Gardner equation for the description of the Fermi-Pasta-Ulam model. We use the potential of interaction between neighbouring masses with both quadratic and cubic terms. The equation is derived using the continuous limit. Unlike the previous works, we take into account higher order terms in the Taylor series expansions. We investigate the equation using the Painlevé approach. We show that the equation does not pass the Painlevé test and can not be integrated by the inverse scattering transform. We use the logistic function method and the Laurent expansion method to find travelling wave solutions of the fifth-order equation. We use the pseudospectral method for the numerical simulation of wave processes, described by the equation.
On the integration of a class of nonlinear systems of ordinary differential equations

NASA Astrophysics Data System (ADS)

Talyshev, Aleksandr A.

2017-11-01

For each associative, commutative, and unitary algebra over the field of real or complex numbers and an integrable nonlinear ordinary differential equation we can to construct integrable systems of ordinary differential equations and integrable systems of partial differential equations. In this paper we consider in some sense the inverse problem. Determine the conditions under which a given system of ordinary differential equations can be represented as a differential equation in some associative, commutative and unitary algebra. It is also shown that associativity is not a necessary condition.
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments.

PubMed

Fisicaro, G; Genovese, L; Andreussi, O; Marzari, N; Goedecker, S

2016-01-07

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and the linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes.
A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fisicaro, G., E-mail: giuseppe.fisicaro@unibas.ch; Goedecker, S.; Genovese, L.

2016-01-07

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into account the non-trivial electrostatic screening coming from the solvent and the electrolytes. As a consequence, the electrostatic potential has to be found by solving the generalized Poisson and the Poisson-Boltzmann equations for neutral and ionic solutions, respectively. In the present work, solvers for both problems have been developed. A preconditioned conjugate gradient method has been implemented for the solution of the generalized Poisson equation and themore » linear regime of the Poisson-Boltzmann, allowing to solve iteratively the minimization problem with some ten iterations of the ordinary Poisson equation solver. In addition, a self-consistent procedure enables us to solve the non-linear Poisson-Boltzmann problem. Both solvers exhibit very high accuracy and parallel efficiency and allow for the treatment of periodic, free, and slab boundary conditions. The solver has been integrated into the BigDFT and Quantum-ESPRESSO electronic-structure packages and will be released as an independent program, suitable for integration in other codes.« less
Universal calculational recipe for solvent-mediated potential: based on a combination of integral equation theory and density functional theory

NASA Astrophysics Data System (ADS)

Zhou, Shiqi

2004-07-01

A universal formalism, which enables calculation of solvent-mediated potential (SMP) between two equal or non-equal solute particles with any shape immersed in solvent reservior consisting of atomic particle and/or polymer chain or their mixture, is proposed by importing a density functional theory externally into OZ equation systems. Only if size asymmetry of the solvent bath components is moderate, the present formalism can calculate the SMP in any complex fluids at the present development stage of statistical mechanics, and therefore avoids all of limitations of previous approaches for SMP. Preliminary calculation indicates the reliability of the present formalism.

Three-dimensional coupled thermoelastodynamic stress and flux induced wave propagation for isotropic half-space with scalar potential functions

NASA Astrophysics Data System (ADS)

Hayati, Yazdan; Eskandari-Ghadi, Morteza

2018-02-01

An asymmetric three-dimensional thermoelastodynamic wave propagation with scalar potential functions is presented for an isotropic half-space, in such a way that the wave may be originated from an arbitrary either traction or heat flux applied on a patch at the free surface of the half-space. The displacements, stresses and temperature are presented within the framework of Biot's coupled thermoelasticity formulations. By employing a complete representation for the displacement and temperature fields in terms of two scalar potential functions, the governing equations of coupled thermoelasticity are uncoupled into a sixth- and a second-order partial differential equation in cylindrical coordinate system. By virtue of Fourier expansion and Hankel integral transforms, the angular and radial variables are suppressed respectively, and a 6{th}- and a 2{nd}-order ordinary differential equation in terms of depth are received, which are solved readily, from which the displacement, stresses and temperature fields are derived in transformed space by satisfying both the regularity and boundary conditions. By applying the inverse Hankel integral transforms, the displacements and temperature are numerically evaluated to determine the solutions in the real space. The numerical evaluations are done for three specific cases of vertical and horizontal time-harmonic patch traction and a constant heat flux passing through a circular disc on the surface of the half-space. It has been previously proved that the potential functions used in this paper are applicable from elastostatics to thermoelastodynamics. Thus, the analytical solutions presented in this paper are verified by comparing the results of this study with two specific problems reported in the literature, which are an elastodynamic problem and an axisymmetric quasi-static thermoelastic problem. To show the accuracy of numerical results, the solution of this study is also compared with the solution for elastodynamics exists in the literature for surface excitation, where a very good agreement is achieved. The formulations presented in this study may be used as benchmark for other related researches and it may be implemented in the related boundary integral equations.
Formally exact integral equation theory of the exchange-only potential in density functional theory: Refined closure approximation

NASA Astrophysics Data System (ADS)

March, N. H.; Nagy, Á.

A fonnally exact integral equation theory for the exchange-only potential Vx(r) in density functional theory was recently set up by Howard and March [I.A. Howard, N.H. March, J. Chem. Phys. 119 (2003) 5789]. It involved a `closure' function P(r) satisfying the exact sum rule ∫ P(r) dr = 0. The simplest choice P(r) = 0 recovers then the approximation proposed by Della Sala and Görling [F. Della Sala, A. Görling, J. Chem. Phys. 115 (2001) 5718] and by Gritsenko and Baerends [O.V. Gritsenko, E.J. Baerends, Phys. Rev. A 64 (2001) 042506]. Here, refined choices of P(r) are proposed, the most direct being based on the KLI (Krieger-Li-Iafrate) approximation. A further choice given some attention is where P(r) involves frontier orbital properties. In particular, the introduction of the LUMO (lowest unoccupied molecular) orbital, along with the energy separation between HOMO (highest occupied molecular orbital) and LUMO levels, should prove a significant step beyond current approximations to the optimized potential method, all of which involve only single-particle occupied orbitals.
Dynamics of a differential-difference integrable (2+1)-dimensional system.

PubMed

Yu, Guo-Fu; Xu, Zong-Wei

2015-06-01

A Kadomtsev-Petviashvili- (KP-) type equation appears in fluid mechanics, plasma physics, and gas dynamics. In this paper, we propose an integrable semidiscrete analog of a coupled (2+1)-dimensional system which is related to the KP equation and the Zakharov equation. N-soliton solutions of the discrete equation are presented. Some interesting examples of soliton resonance related to the two-soliton and three-soliton solutions are investigated. Numerical computations using the integrable semidiscrete equation are performed. It is shown that the integrable semidiscrete equation gives very accurate numerical results in the cases of one-soliton evolution and soliton interactions.
Absorbing Boundary Conditions in Quantum Relativistic Mechanics for Spinless Particles Subject to a Classical Electromagnetic Field

NASA Astrophysics Data System (ADS)

Sater, Julien

The theory of Artificial Boundary Conditions described by Antoine et al. [2,4-6] for the Schrodinger equation is applied to the Klein-Gordon (KG) in two-dimensions (2-D) for spinless particles subject to electromagnetic fields. We begin by providing definitions for a basic understanding of the theory of operators, differential geometry and wave front sets needed to discuss the factorization theorem thanks to Nirenberg and Hormander [14, 16]. The laser-free Klein-Gordon equation in 1-D is then discussed, followed by the case including electrodynamics potentials, concluding with the KG equation in 2-D space with electrodynamics potentials. We then consider numerical simulations of the laser-particle KG equation, which includes a brief analysis of a finite difference scheme. The conclusion integrates a discussion of the numerical results, the successful completion of the objective set forth, a declaration of the unanswered encountered questions and a suggestion of subjects for further research.
Properties of one-dimensional anharmonic lattice solitons

NASA Astrophysics Data System (ADS)

Szeftel, Jacob; Laurent-Gengoux, Pascal; Ilisca, Ernest; Hebbache, Mohamed

2000-12-01

The existence of bell- and kink-shaped solitons moving at constant velocity while keeping a permanent profile is studied in infinite periodic monoatomic chains of arbitrary anharmonicity by taking advantage of the equation of motion being integrable with respect to solitons. A second-order, non-linear differential equation involving advanced and retarded terms must be solved, which is done by implementing a scheme based on the finite element and Newton's methods. If the potential has a harmonic limit, the asymptotic time-decay behaves exponentially and there is a dispersion relation between propagation velocity and decay time. Inversely if the potential has no harmonic limit, the asymptotic regime shows up either as a power-law or faster than exponential. Excellent agreement is achieved with Toda's model. Illustrative examples are also given for the Fermi-Pasta-Ulam and sine-Gordon potentials. Owing to integrability an effective one-body potential is worked out in each case. Lattice and continuum solitons differ markedly from one another as regards the amplitude versus propagation velocity relationship and the asymptotic time behavior. The relevance of the linear stability analysis when applied to solitons propagating in an infinite crystal is questioned. The reasons preventing solitons from arising in a diatomic lattice are discussed.
Determination of elementary first integrals of a generalized Raychaudhuri equation by the Darboux integrability method

NASA Astrophysics Data System (ADS)

Choudhury, A. Ghose; Guha, Partha; Khanra, Barun

2009-10-01

The Darboux integrability method is particularly useful to determine first integrals of nonplanar autonomous systems of ordinary differential equations, whose associated vector fields are polynomials. In particular, we obtain first integrals for a variant of the generalized Raychaudhuri equation, which has appeared in string inspired modern cosmology.
Hybrid finite element method for describing the electrical response of biological cells to applied fields.

PubMed

Ying, Wenjun; Henriquez, Craig S

2007-04-01

A novel hybrid finite element method (FEM) for modeling the response of passive and active biological membranes to external stimuli is presented. The method is based on the differential equations that describe the conservation of electric flux and membrane currents. By introducing the electric flux through the cell membrane as an additional variable, the algorithm decouples the linear partial differential equation part from the nonlinear ordinary differential equation part that defines the membrane dynamics of interest. This conveniently results in two subproblems: a linear interface problem and a nonlinear initial value problem. The linear interface problem is solved with a hybrid FEM. The initial value problem is integrated by a standard ordinary differential equation solver such as the Euler and Runge-Kutta methods. During time integration, these two subproblems are solved alternatively. The algorithm can be used to model the interaction of stimuli with multiple cells of almost arbitrary geometries and complex ion-channel gating at the plasma membrane. Numerical experiments are presented demonstrating the uses of the method for modeling field stimulation and action potential propagation.
Macroscopic self-oscillations and aging transition in a network of synaptically coupled quadratic integrate-and-fire neurons.

PubMed

Ratas, Irmantas; Pyragas, Kestutis

2016-09-01

We analyze the dynamics of a large network of coupled quadratic integrate-and-fire neurons, which represent the canonical model for class I neurons near the spiking threshold. The network is heterogeneous in that it includes both inherently spiking and excitable neurons. The coupling is global via synapses that take into account the finite width of synaptic pulses. Using a recently developed reduction method based on the Lorentzian ansatz, we derive a closed system of equations for the neuron's firing rate and the mean membrane potential, which are exact in the infinite-size limit. The bifurcation analysis of the reduced equations reveals a rich scenario of asymptotic behavior, the most interesting of which is the macroscopic limit-cycle oscillations. It is shown that the finite width of synaptic pulses is a necessary condition for the existence of such oscillations. The robustness of the oscillations against aging damage, which transforms spiking neurons into nonspiking neurons, is analyzed. The validity of the reduced equations is confirmed by comparing their solutions with the solutions of microscopic equations for the finite-size networks.
Two-dimensional integrating matrices on rectangular grids. [solving differential equations associated with rotating structures

NASA Technical Reports Server (NTRS)

Lakin, W. D.

1981-01-01

The use of integrating matrices in solving differential equations associated with rotating beam configurations is examined. In vibration problems, by expressing the equations of motion of the beam in matrix notation, utilizing the integrating matrix as an operator, and applying the boundary conditions, the spatial dependence is removed from the governing partial differential equations and the resulting ordinary differential equations can be cast into standard eigenvalue form. Integrating matrices are derived based on two dimensional rectangular grids with arbitrary grid spacings allowed in one direction. The derivation of higher dimensional integrating matrices is the initial step in the generalization of the integrating matrix methodology to vibration and stability problems involving plates and shells.
A Formalism for Covariant Polarized Radiative Transport by Ray Tracing

NASA Astrophysics Data System (ADS)

Gammie, Charles F.; Leung, Po Kin

2012-06-01

We write down a covariant formalism for polarized radiative transfer appropriate for ray tracing through a turbulent plasma. The polarized radiation field is represented by the polarization tensor (coherency matrix) N αβ ≡ langa α k a*β k rang, where ak is a Fourier coefficient for the vector potential. Using Maxwell's equations, the Liouville-Vlasov equation, and the WKB approximation, we show that the transport equation in vacuo is k μ∇μ N αβ = 0. We show that this is equivalent to Broderick & Blandford's formalism based on invariant Stokes parameters and a rotation coefficient, and suggest a modification that may reduce truncation error in some situations. Finally, we write down several alternative approaches to integrating the transfer equation.
An implicit fast Fourier transform method for integration of the time dependent Schrodinger equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Riley, M.E.; Ritchie, A.B.

1997-12-31

One finds that the conventional exponentiated split operator procedure is subject to difficulties when solving the time-dependent Schrodinger equation for Coulombic systems. By rearranging the kinetic and potential energy terms in the temporal propagator of the finite difference equations, one can find a propagation algorithm for three dimensions that looks much like the Crank-Nicholson and alternating direction implicit methods for one- and two-space-dimensional partial differential equations. The authors report investigations of this novel implicit split operator procedure. The results look promising for a purely numerical approach to certain electron quantum mechanical problems. A charge exchange calculation is presented as anmore » example of the power of the method.« less
Importance of the cutoff value in the quadratic adaptive integrate-and-fire model.

PubMed

Touboul, Jonathan

2009-08-01

The quadratic adaptive integrate-and-fire model (Izhikevich, 2003 , 2007 ) is able to reproduce various firing patterns of cortical neurons and is widely used in large-scale simulations of neural networks. This model describes the dynamics of the membrane potential by a differential equation that is quadratic in the voltage, coupled to a second equation for adaptation. Integration is stopped during the rise phase of a spike at a voltage cutoff value V(c) or when it blows up. Subsequently the membrane potential is reset, and the adaptation variable is increased by a fixed amount. We show in this note that in the absence of a cutoff value, not only the voltage but also the adaptation variable diverges in finite time during spike generation in the quadratic model. The divergence of the adaptation variable makes the system very sensitive to the cutoff: changing V(c) can dramatically alter the spike patterns. Furthermore, from a computational viewpoint, the divergence of the adaptation variable implies that the time steps for numerical simulation need to be small and adaptive. However, divergence of the adaptation variable does not occur for the quartic model (Touboul, 2008 ) and the adaptive exponential integrate-and-fire model (Brette & Gerstner, 2005 ). Hence, these models are robust to changes in the cutoff value.
O (6 ) algebraic theory of three nonrelativistic quarks bound by spin-independent interactions

NASA Astrophysics Data System (ADS)

Dmitrašinović, V.; Salom, Igor

2018-05-01

We apply the newly developed theory of permutation-symmetric O (6 ) hyperspherical harmonics to the quantum-mechanical problem of three nonrelativistic quarks confined by a spin-independent three-quark potential. We use our previously derived results to reduce the three-body Schrödinger equation to a set of coupled ordinary differential equations in the hyper-radius R with coupling coefficients expressed entirely in terms of (i) a few interaction-dependent O (6 ) expansion coefficients and (ii) O (6 ) hyperspherical harmonics matrix elements that have been evaluated in our previous paper. This system of equations allows a solution to the eigenvalue problem with homogeneous three-quark potentials, the class of which includes a number of standard Ansätze for the confining potentials, such as the Y- and Δ -string ones. We present analytic formulas for the K =2 , 3, 4, 5 shell states' eigenenergies in homogeneous three-body potentials, which we then apply to the Y and Δ strings as well as the logarithmic confining potentials. We also present numerical results for power-law pairwise potentials with the exponent ranging between -1 and +2 . In the process, we resolve the 25-year-old Taxil and Richard vs Bowler et al. controversy regarding the ordering of states in the K =3 shell, in favor of the former. Finally, we show the first clear difference between the spectra of Δ - and Y-string potentials, which appears in K ≥3 shells. Our results are generally valid, not just for confining potentials but also for many momentum-independent permutation-symmetric homogenous potentials that need not be pairwise sums of two-body terms. The potentials that can be treated in this way must be square integrable under the O (6 ) hyperangular integral, the class of which, however, does not include the Dirac δ function.
Electron-pair-production cross section in the tip region of the positron spectrum

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sud, K.K.; Sharma, D.K.

1984-11-01

The radial integrals for electron-pair production in a point Coulomb potential have been expressed by Sud, Sharma, and Sud in terms of the matrix generalization of the GAMMA function. Two new partial differential equations in photon energy satisfied by the matrix GAMMA function are obtained. We have obtained, on integrating the partial differential equations, accurate radial integrals as a function of photon energy for the pair production by intermediate-energy photons. The cross section in the tip region of the spectrum are calculated for photons of energy 5.0 to 10.0 MeV for /sup 92/U. The new technique results in extensive savingmore » in computer time as the basic radial integrals in terms of the hypergeometric function F/sub 2/ are computed at one photon energy for each pair of partial waves. The results of our calculations are compared with plane-wave Born-approximation results and with the calculations of Dugne and of Deck, Moroi, and Alling.« less
An accurate and efficient method for evaluating the kernel of the integral equation relating pressure to normalwash in unsteady potential flow

NASA Technical Reports Server (NTRS)

Desmarais, R. N.

1982-01-01

This paper describes an accurate economical method for generating approximations to the kernel of the integral equation relating unsteady pressure to normalwash in nonplanar flow. The method is capable of generating approximations of arbitrary accuracy. It is based on approximating the algebraic part of the non elementary integrals in the kernel by exponential approximations and then integrating termwise. The exponent spacing in the approximation is a geometric sequence. The coefficients and exponent multiplier of the exponential approximation are computed by least squares so the method is completely automated. Exponential approximates generated in this manner are two orders of magnitude more accurate than the exponential approximation that is currently most often used for this purpose. Coefficients for 8, 12, 24, and 72 term approximations are tabulated in the report. Also, since the method is automated, it can be used to generate approximations to attain any desired trade-off between accuracy and computing cost.
Accurate D-bar Reconstructions of Conductivity Images Based on a Method of Moment with Sinc Basis.

PubMed

Abbasi, Mahdi

2014-01-01

Planar D-bar integral equation is one of the inverse scattering solution methods for complex problems including inverse conductivity considered in applications such as Electrical impedance tomography (EIT). Recently two different methodologies are considered for the numerical solution of D-bar integrals equation, namely product integrals and multigrid. The first one involves high computational burden and the other one suffers from low convergence rate (CR). In this paper, a novel high speed moment method based using the sinc basis is introduced to solve the two-dimensional D-bar integral equation. In this method, all functions within D-bar integral equation are first expanded using the sinc basis functions. Then, the orthogonal properties of their products dissolve the integral operator of the D-bar equation and results a discrete convolution equation. That is, the new moment method leads to the equation solution without direct computation of the D-bar integral. The resulted discrete convolution equation maybe adapted to a suitable structure to be solved using fast Fourier transform. This allows us to reduce the order of computational complexity to as low as O (N (2)log N). Simulation results on solving D-bar equations arising in EIT problem show that the proposed method is accurate with an ultra-linear CR.
Advanced-Retarded Differential Equations in Quantum Photonic Systems

NASA Astrophysics Data System (ADS)

Alvarez-Rodriguez, Unai; Perez-Leija, Armando; Egusquiza, Iñigo L.; Gräfe, Markus; Sanz, Mikel; Lamata, Lucas; Szameit, Alexander; Solano, Enrique

2017-02-01

We propose the realization of photonic circuits whose dynamics is governed by advanced-retarded differential equations. Beyond their mathematical interest, these photonic configurations enable the implementation of quantum feedback and feedforward without requiring any intermediate measurement. We show how this protocol can be applied to implement interesting delay effects in the quantum regime, as well as in the classical limit. Our results elucidate the potential of the protocol as a promising route towards integrated quantum control systems on a chip.
Advanced-Retarded Differential Equations in Quantum Photonic Systems

PubMed Central

Alvarez-Rodriguez, Unai; Perez-Leija, Armando; Egusquiza, Iñigo L.; Gräfe, Markus; Sanz, Mikel; Lamata, Lucas; Szameit, Alexander; Solano, Enrique

2017-01-01

We propose the realization of photonic circuits whose dynamics is governed by advanced-retarded differential equations. Beyond their mathematical interest, these photonic configurations enable the implementation of quantum feedback and feedforward without requiring any intermediate measurement. We show how this protocol can be applied to implement interesting delay effects in the quantum regime, as well as in the classical limit. Our results elucidate the potential of the protocol as a promising route towards integrated quantum control systems on a chip. PMID:28230090
Transport of contaminants in the planetary boundary layer

NASA Technical Reports Server (NTRS)

Lee, I. Y.; Swan, P. R.

1978-01-01

A planetary boundary layer model is described and used to simulate PBL phenomena including cloud formation and pollution transport in the San Francisco Bay Area. The effect of events in the PBL on air pollution is considered, and governing equations for the average momentum, potential temperature, water vapor mixing ratio, and air contaminants are presented. These equations are derived by integrating the basic equations vertically through the mixed layer. Characteristics of the day selected for simulation are reported, and the results suggest that the diurnally cyclic features of the mesoscale motion, including clouds and air pollution, can be simulated in a readily interpretable way with the model.
Explicit least squares system parameter identification for exact differential input/output models

NASA Technical Reports Server (NTRS)

Pearson, A. E.

1993-01-01

The equation error for a class of systems modeled by input/output differential operator equations has the potential to be integrated exactly, given the input/output data on a finite time interval, thereby opening up the possibility of using an explicit least squares estimation technique for system parameter identification. The paper delineates the class of models for which this is possible and shows how the explicit least squares cost function can be obtained in a way that obviates dealing with unknown initial and boundary conditions. The approach is illustrated by two examples: a second order chemical kinetics model and a third order system of Lorenz equations.

Effect of dynamic disorder on charge transport along a pentacene chain

NASA Astrophysics Data System (ADS)

Böhlin, J.; Linares, M.; Stafström, S.

2011-02-01

The lattice equation of motion and a numerical solution of the time-dependent Schrödinger equation provide us with a microscopic picture of charge transport in highly ordered molecular crystals. We have chosen the pentacene single crystal as a model system, and we study charge transport as a function of phonon-mode time-dependent fluctuations in the intermolecular electron transfer integral. For comparison, we include similar fluctuations also in the intramolecular potentials. The variance in these energy quantities is closely related to the temperature of the system. The pentacene system is shown to be very sensitive to fluctuation in the intermolecular transfer integral, revealing a transition from adiabatic to nonadiabatic polaron transport for increasing temperatures. The extension of the polaron at temperatures above 200 K is limited by the electron localization length rather than the interplay between the electron transfer integral and the electron-phonon coupling strength.
Geometry, Heat Equation and Path Integrals on the Poincaré Upper Half-Plane

NASA Astrophysics Data System (ADS)

Kubo, R.

1988-01-01

Geometry, heat equation and Feynman's path integrals are studied on the Poincaré upper half-plane. The fundamental solution to the heat equation partial f/partial t = Delta_{H} f is expressed in terms of a path integral defined on the upper half-plane. It is shown that Kac's statement that Feynman's path integral satisfies the Schrödinger equation is also valid for our case.
Exact integration of the unsteady incompressible Navier-Stokes equations, gauge criteria, and applications

NASA Astrophysics Data System (ADS)

Scholle, M.; Gaskell, P. H.; Marner, F.

2018-04-01

An exact first integral of the full, unsteady, incompressible Navier-Stokes equations is achieved in its most general form via the introduction of a tensor potential and parallels drawn with Maxwell's theory. Subsequent to this gauge freedoms are explored, showing that when used astutely they lead to a favourable reduction in the complexity of the associated equation set and number of unknowns, following which the inviscid limit case is discussed. Finally, it is shown how a change in gauge criteria enables a variational principle for steady viscous flow to be constructed having a self-adjoint form. Use of the new formulation is demonstrated, for different gauge variants of the first integral as the starting point, through the solution of a hierarchy of classical three-dimensional flow problems, two of which are tractable analytically, the third being solved numerically. In all cases the results obtained are found to be in excellent accord with corresponding solutions available in the open literature. Concurrently, the prescription of appropriate commonly occurring physical and necessary auxiliary boundary conditions, incorporating for completeness the derivation of a first integral of the dynamic boundary condition at a free surface, is established, together with how the general approach can be advantageously reformulated for application in solving unsteady flow problems with periodic boundaries.
High-order integral equation methods for problems of scattering by bumps and cavities on half-planes.

PubMed

Pérez-Arancibia, Carlos; Bruno, Oscar P

2014-08-01

This paper presents high-order integral equation methods for the evaluation of electromagnetic wave scattering by dielectric bumps and dielectric cavities on perfectly conducting or dielectric half-planes. In detail, the algorithms introduced in this paper apply to eight classical scattering problems, namely, scattering by a dielectric bump on a perfectly conducting or a dielectric half-plane, and scattering by a filled, overfilled, or void dielectric cavity on a perfectly conducting or a dielectric half-plane. In all cases field representations based on single-layer potentials for appropriately chosen Green functions are used. The numerical far fields and near fields exhibit excellent convergence as discretizations are refined-even at and around points where singular fields and infinite currents exist.
On the Kernel function of the integral equation relating lift and downwash distributions of oscillating wings in supersonic flow

NASA Technical Reports Server (NTRS)

Watkins, Charles E; Berman, Julian H

1956-01-01

This report treats the Kernel function of the integral equation that relates a known or prescribed downwash distribution to an unknown lift distribution for harmonically oscillating wings in supersonic flow. The treatment is essentially an extension to supersonic flow of the treatment given in NACA report 1234 for subsonic flow. For the supersonic case the Kernel function is derived by use of a suitable form of acoustic doublet potential which employs a cutoff or Heaviside unit function. The Kernel functions are reduced to forms that can be accurately evaluated by considering the functions in two parts: a part in which the singularities are isolated and analytically expressed, and a nonsingular part which can be tabulated.
Exploring inductive linearization for pharmacokinetic-pharmacodynamic systems of nonlinear ordinary differential equations.

PubMed

Hasegawa, Chihiro; Duffull, Stephen B

2018-02-01

Pharmacokinetic-pharmacodynamic systems are often expressed with nonlinear ordinary differential equations (ODEs). While there are numerous methods to solve such ODEs these methods generally rely on time-stepping solutions (e.g. Runge-Kutta) which need to be matched to the characteristics of the problem at hand. The primary aim of this study was to explore the performance of an inductive approximation which iteratively converts nonlinear ODEs to linear time-varying systems which can then be solved algebraically or numerically. The inductive approximation is applied to three examples, a simple nonlinear pharmacokinetic model with Michaelis-Menten elimination (E1), an integrated glucose-insulin model and an HIV viral load model with recursive feedback systems (E2 and E3, respectively). The secondary aim of this study was to explore the potential advantages of analytically solving linearized ODEs with two examples, again E3 with stiff differential equations and a turnover model of luteinizing hormone with a surge function (E4). The inductive linearization coupled with a matrix exponential solution provided accurate predictions for all examples with comparable solution time to the matched time-stepping solutions for nonlinear ODEs. The time-stepping solutions however did not perform well for E4, particularly when the surge was approximated by a square wave. In circumstances when either a linear ODE is particularly desirable or the uncertainty in matching the integrator to the ODE system is of potential risk, then the inductive approximation method coupled with an analytical integration method would be an appropriate alternative.
Mathematical Methods for Physics and Engineering Third Edition Paperback Set

NASA Astrophysics Data System (ADS)

Riley, Ken F.; Hobson, Mike P.; Bence, Stephen J.

2006-06-01

Prefaces; 1. Preliminary algebra; 2. Preliminary calculus; 3. Complex numbers and hyperbolic functions; 4. Series and limits; 5. Partial differentiation; 6. Multiple integrals; 7. Vector algebra; 8. Matrices and vector spaces; 9. Normal modes; 10. Vector calculus; 11. Line, surface and volume integrals; 12. Fourier series; 13. Integral transforms; 14. First-order ordinary differential equations; 15. Higher-order ordinary differential equations; 16. Series solutions of ordinary differential equations; 17. Eigenfunction methods for differential equations; 18. Special functions; 19. Quantum operators; 20. Partial differential equations: general and particular; 21. Partial differential equations: separation of variables; 22. Calculus of variations; 23. Integral equations; 24. Complex variables; 25. Application of complex variables; 26. Tensors; 27. Numerical methods; 28. Group theory; 29. Representation theory; 30. Probability; 31. Statistics; Index.
Integrability: mathematical methods for studying solitary waves theory

NASA Astrophysics Data System (ADS)

Wazwaz, Abdul-Majid

2014-03-01

In recent decades, substantial experimental research efforts have been devoted to linear and nonlinear physical phenomena. In particular, studies of integrable nonlinear equations in solitary waves theory have attracted intensive interest from mathematicians, with the principal goal of fostering the development of new methods, and physicists, who are seeking solutions that represent physical phenomena and to form a bridge between mathematical results and scientific structures. The aim for both groups is to build up our current understanding and facilitate future developments, develop more creative results and create new trends in the rapidly developing field of solitary waves. The notion of the integrability of certain partial differential equations occupies an important role in current and future trends, but a unified rigorous definition of the integrability of differential equations still does not exist. For example, an integrable model in the Painlevé sense may not be integrable in the Lax sense. The Painlevé sense indicates that the solution can be represented as a Laurent series in powers of some function that vanishes on an arbitrary surface with the possibility of truncating the Laurent series at finite powers of this function. The concept of Lax pairs introduces another meaning of the notion of integrability. The Lax pair formulates the integrability of nonlinear equation as the compatibility condition of two linear equations. However, it was shown by many researchers that the necessary integrability conditions are the existence of an infinite series of generalized symmetries or conservation laws for the given equation. The existence of multiple soliton solutions often indicates the integrability of the equation but other tests, such as the Painlevé test or the Lax pair, are necessary to confirm the integrability for any equation. In the context of completely integrable equations, studies are flourishing because these equations are able to describe the real features in a variety of vital areas in science, technology and engineering. In recognition of the importance of solitary waves theory and the underlying concept of integrable equations, a variety of powerful methods have been developed to carry out the required analysis. Examples of such methods which have been advanced are the inverse scattering method, the Hirota bilinear method, the simplified Hirota method, the Bäcklund transformation method, the Darboux transformation, the Pfaffian technique, the Painlevé analysis, the generalized symmetry method, the subsidiary ordinary differential equation method, the coupled amplitude-phase formulation, the sine-cosine method, the sech-tanh method, the mapping and deformation approach and many new other methods. The inverse scattering method, viewed as a nonlinear analogue of the Fourier transform method, is a powerful approach that demonstrates the existence of soliton solutions through intensive computations. At the center of the theory of integrable equations lies the bilinear forms and Hirota's direct method, which can be used to obtain soliton solutions by using exponentials. The Bäcklund transformation method is a useful invariant transformation that transforms one solution into another of a differential equation. The Darboux transformation method is a well known tool in the theory of integrable systems. It is believed that there is a connection between the Bäcklund transformation and the Darboux transformation, but it is as yet not known. Archetypes of integrable equations are the Korteweg-de Vries (KdV) equation, the modified KdV equation, the sine-Gordon equation, the Schrödinger equation, the Vakhnenko equation, the KdV6 equation, the Burgers equation, the fifth-order Lax equation and many others. These equations yield soliton solutions, multiple soliton solutions, breather solutions, quasi-periodic solutions, kink solutions, homo-clinic solutions and other solutions as well. The couplings of linear and nonlinear equations were recently discovered and subsequently received considerable attention. The concept of couplings forms a new direction for developing innovative construction methods. The recently obtained results in solitary waves theory highlight new approaches for additional creative ideas, promising further achievements and increased progress in this field. We are grateful to all of the authors who accepted our invitation to contribute to this comment section.
Coprimeness-preserving non-integrable extension to the two-dimensional discrete Toda lattice equation

NASA Astrophysics Data System (ADS)

Kamiya, Ryo; Kanki, Masataka; Mase, Takafumi; Tokihiro, Tetsuji

2017-01-01

We introduce a so-called coprimeness-preserving non-integrable extension to the two-dimensional Toda lattice equation. We believe that this equation is the first example of such discrete equations defined over a three-dimensional lattice. We prove that all the iterates of the equation are irreducible Laurent polynomials of the initial data and that every pair of two iterates is co-prime, which indicate confined singularities of the equation. By reducing the equation to two- or one-dimensional lattices, we obtain coprimeness-preserving non-integrable extensions to the one-dimensional Toda lattice equation and the Somos-4 recurrence.
Contribution to the theory of tidal oscillations of an elastic earth. External tidal potential

NASA Technical Reports Server (NTRS)

Musen, P.

1974-01-01

The differential equations of the tidal oscillations of the earth were established under the assumption that the interior of the earth is laterally inhomogeneous. The theory was developed using vectorial and dyadic symbolism to shorten the exposition and to reduce the differential equations to a symmetric form convenient for programming and for numerical integration. The formation of tidal buldges on the surfaces of discontinuity and the changes in the internal density produce small periodic variations in the exterior geopotential which are reflected in the motion of artificial satellites. The analoques of Love elastic parameters in the expansion of exterior tidal potential reflect the asymmetric and inhomogeneous structure of the interior of the earth.
An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale.

PubMed

McCarty, J; Clark, A J; Copperman, J; Guenza, M G

2014-05-28

Structural and thermodynamic consistency of coarse-graining models across multiple length scales is essential for the predictive role of multi-scale modeling and molecular dynamic simulations that use mesoscale descriptions. Our approach is a coarse-grained model based on integral equation theory, which can represent polymer chains at variable levels of chemical details. The model is analytical and depends on molecular and thermodynamic parameters of the system under study, as well as on the direct correlation function in the k → 0 limit, c0. A numerical solution to the PRISM integral equations is used to determine c0, by adjusting the value of the effective hard sphere diameter, dHS, to agree with the predicted equation of state. This single quantity parameterizes the coarse-grained potential, which is used to perform mesoscale simulations that are directly compared with atomistic-level simulations of the same system. We test our coarse-graining formalism by comparing structural correlations, isothermal compressibility, equation of state, Helmholtz and Gibbs free energies, and potential energy and entropy using both united atom and coarse-grained descriptions. We find quantitative agreement between the analytical formalism for the thermodynamic properties, and the results of Molecular Dynamics simulations, independent of the chosen level of representation. In the mesoscale description, the potential energy of the soft-particle interaction becomes a free energy in the coarse-grained coordinates which preserves the excess free energy from an ideal gas across all levels of description. The structural consistency between the united-atom and mesoscale descriptions means the relative entropy between descriptions has been minimized without any variational optimization parameters. The approach is general and applicable to any polymeric system in different thermodynamic conditions.
The ion-acoustic soliton: A gas-dynamic viewpoint

NASA Astrophysics Data System (ADS)

McKenzie, J. F.

2002-03-01

The properties of fully nonlinear ion-acoustic solitons are investigated by interpreting conservation of total momentum as the structure equation for the proton flow in the wave. In most studies momentum conservation is regarded as the first integral of the Poisson equation for the electric potential and is interpreted as being analogous to a particle moving in a pseudo-potential well. By adopting an essentially gas-dynamic viewpoint, which emphasizes momentum conservation and the properties of the Bernoulli-type energy equations, the crucial role played by the proton sonic point becomes apparent. The relationship (implied by energy conservation) between the electron and proton speeds in the transition yields a locus—the hodograph of the system-which shows that, in the first half of the soliton, the electrons initially lag behind the protons until the charge neutral point is reached, after which they run ahead of the protons. The system reaches an equilibrium point (the center of the soliton) before the proton flow goes sonic. It follows that the critical ion-acoustic Mach number, Mc, above which smooth, continuous solitons cannot be constructed, stems from the requirement that the two equilibrium points of the structure equation coalesce at the proton sonic point of the flow. In general the range of the ion-acoustic Mach numbers, Mep, in which solitons exist, is extended beyond the classical range 1
Formal expressions and corresponding expansions for the exact Kohn-Sham exchange potential

NASA Astrophysics Data System (ADS)

Bulat, Felipe A.; Levy, Mel

2009-11-01

Formal expressions and their corresponding expansions in terms of Kohn-Sham (KS) orbitals are deduced for the exchange potential vx(r) . After an alternative derivation of the basic optimized effective potential integrodifferential equations is given through a Hartree-Fock adiabatic connection perturbation theory, we present an exact infinite expansion for vx(r) that is particularly simple in structure. It contains the very same occupied-virtual quantities that appear in the well-known optimized effective potential integral equation, but in this new expression vx(r) is isolated on one side of the equation. An orbital-energy modified Slater potential is its leading term which gives encouraging numerical results. Along different lines, while the earlier Krieger-Li-Iafrate approximation truncates completely the necessary first-order perturbation orbitals, we observe that the improved localized Hartree-Fock (LHF) potential, or common energy denominator potential (CEDA), or effective local potential (ELP), incorporates the part of each first-order orbital that consists of the occupied KS orbitals. With this in mind, the exact correction to the LHF, CEDA, or ELP potential (they are all equivalent) is deduced and displayed in terms of the virtual portions of the first-order orbitals. We close by observing that the newly derived exact formal expressions and corresponding expansions apply as well for obtaining the correlation potential from an orbital-dependent correlation energy functional.
Calculation of transonic flows using an extended integral equation method

NASA Technical Reports Server (NTRS)

Nixon, D.

1976-01-01

An extended integral equation method for transonic flows is developed. In the extended integral equation method velocities in the flow field are calculated in addition to values on the aerofoil surface, in contrast with the less accurate 'standard' integral equation method in which only surface velocities are calculated. The results obtained for aerofoils in subcritical flow and in supercritical flow when shock waves are present compare satisfactorily with the results of recent finite difference methods.
From square-well to Janus: Improved algorithm for integral equation theory and comparison with thermodynamic perturbation theory within the Kern-Frenkel model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Giacometti, Achille, E-mail: achille.giacometti@unive.it; Gögelein, Christoph, E-mail: christoph.goegelein@ds.mpg.de; Lado, Fred, E-mail: lado@ncsu.edu

2014-03-07

Building upon past work on the phase diagram of Janus fluids [F. Sciortino, A. Giacometti, and G. Pastore, Phys. Rev. Lett. 103, 237801 (2009)], we perform a detailed study of integral equation theory of the Kern-Frenkel potential with coverage that is tuned from the isotropic square-well fluid to the Janus limit. An improved algorithm for the reference hypernetted-chain (RHNC) equation for this problem is implemented that significantly extends the range of applicability of RHNC. Results for both structure and thermodynamics are presented and compared with numerical simulations. Unlike previous attempts, this algorithm is shown to be stable down to themore » Janus limit, thus paving the way for analyzing the frustration mechanism characteristic of the gas-liquid transition in the Janus system. The results are also compared with Barker-Henderson thermodynamic perturbation theory on the same model. We then discuss the pros and cons of both approaches within a unified treatment. On balance, RHNC integral equation theory, even with an isotropic hard-sphere reference system, is found to be a good compromise between accuracy of the results, computational effort, and uniform quality to tackle self-assembly processes in patchy colloids of complex nature. Further improvement in RHNC however clearly requires an anisotropic reference bridge function.« less
Fredholm-Volterra Integral Equation with a Generalized Singular Kernel and its Numerical Solutions

NASA Astrophysics Data System (ADS)

El-Kalla, I. L.; Al-Bugami, A. M.

2010-11-01

In this paper, the existence and uniqueness of solution of the Fredholm-Volterra integral equation (F-VIE), with a generalized singular kernel, are discussed and proved in the spaceL2(Ω)×C(0,T). The Fredholm integral term (FIT) is considered in position while the Volterra integral term (VIT) is considered in time. Using a numerical technique we have a system of Fredholm integral equations (SFIEs). This system of integral equations can be reduced to a linear algebraic system (LAS) of equations by using two different methods. These methods are: Toeplitz matrix method and Product Nyström method. A numerical examples are considered when the generalized kernel takes the following forms: Carleman function, logarithmic form, Cauchy kernel, and Hilbert kernel.
Reexamination of the calculation of two-center, two-electron integrals over Slater-type orbitals. II. Neumann expansion of the exchange integrals

NASA Astrophysics Data System (ADS)

Lesiuk, Michał; Moszynski, Robert

2014-12-01

In this paper we consider the calculation of two-center exchange integrals over Slater-type orbitals (STOs). We apply the Neumann expansion of the Coulomb interaction potential and consider calculation of all basic quantities which appear in the resulting expression. Analytical closed-form equations for all auxiliary quantities have already been known but they suffer from large digital erosion when some of the parameters are large or small. We derive two differential equations which are obeyed by the most difficult basic integrals. Taking them as a starting point, useful series expansions for small parameter values or asymptotic expansions for large parameter values are systematically derived. The resulting expansions replace the corresponding analytical expressions when the latter introduce significant cancellations. Additionally, we reconsider numerical integration of some necessary quantities and present a new way to calculate the integrand with a controlled precision. All proposed methods are combined to lead to a general, stable algorithm. We perform extensive numerical tests of the introduced expressions to verify their validity and usefulness. Advances reported here provide methodology to compute two-electron exchange integrals over STOs for a broad range of the nonlinear parameters and large angular momenta.
Some guidelines for structural equation modelling in cognitive neuroscience: the case of Charlton et al.'s study on white matter integrity and cognitive ageing.

PubMed

Penke, Lars; Deary, Ian J

2010-09-01

Charlton et al. (2008) (Charlton, R.A., Landua, S., Schiavone, F., Barrick, T.R., Clark, C.A., Markus, H.S., Morris, R.G.A., 2008. Structural equation modelling investigation of age-related variance in executive function and DTI-measured white matter change. Neurobiol. Aging 29, 1547-1555) presented a model that suggests a specific age-related effect of white matter integrity on working memory. We illustrate potential pitfalls of structural equation modelling by criticizing their model for (a) its neglect of latent variables, (b) its complexity, (c) its questionable causal assumptions, (d) the use of empirical model reduction, (e) the mix-up of theoretical perspectives, and (f) the failure to compare alternative models. We show that a more parsimonious model, based solely on the well-established general factor of cognitive ability, fits their data at least as well. Importantly, when modelled this way there is no support for a role of white matter integrity in cognitive aging in this sample, indicating that their conclusion is strongly dependent on how the data are analysed. We suggest that evidence from more conclusive study designs is needed. Copyright 2009 Elsevier Inc. All rights reserved.
Possible high sonic velocity due to the inclusion of gas bubbles in water

NASA Astrophysics Data System (ADS)

Banno, T.; Mikada, H.; Goto, T.; Takekawa, J.

2010-12-01

If formation water becomes multi-phase by inclusion of gas bubbles, sonic velocities would be strongly influenced. In general, sonic velocities are knocked down due to low bulk moduli of the gas bubbles. However, sonic velocities may increase depending on the size of gas bubbles, when the bubbles in water or other media oscillate due to incoming sonic waves. Sonic waves are scattered by the bubbles and the superposition of the incoming and the scattered waves result in resonant-frequency-dependent behavior. The phase velocity of sonic waves propagating in fluids containing bubbles, therefore, probably depends on their frequencies. This is a typical phenomenon called “wave dispersion.” So far we have studied about the bubble impact on sonic velocity in bubbly media, such as the formation that contains gas bubbles. As a result, it is shown that the bubble resonance effect is a key to analyze the sonic phase velocity increase. Therefore to evaluate the resonance frequency of bubbles is important to solve the frequency response of sonic velocity in formations having bubbly fluids. There are several analytical solutions of the resonance frequency of bubbles in water. Takahira et al. (1994) derived a equation that gives us the resonance frequency considering bubble - bubble interactions. We have used this theory to calculate resonance frequency of bubbles at the previous work. However, the analytical solution of the Takahira’s equation is based on several assumptions. Therefore we used a numerical approach to calculate the bubble resonance effect more precisely in the present study. We used the boundary element method (BEM) to reproduce a bubble oscillation in incompressible liquid. There are several reasons to apply the BEM. Firstly, it arrows us to model arbitrarily sets and shapes of bubbles. Secondly, it is easy to use the BEM to reproduce a boundary-surface between liquid and gas. The velocity potential of liquid surrounding a bubble satisfies the Laplace equation when the liquid is supposed to be incompressible. We got the boundary integral equation from the Laplace equation and solved the boundary integral equation by the BEM. Then, we got the gradient of the velocity potential from the BEM. We used this gradient to get time derivative of the velocity potential from the Bernouii’s equation. And we used the second order Adams-Bashforth method to execute time integration of the velocity potential. We conducted this scheme iteratively to calculate a bubble oscillation. At each time step, we input a pressure change as a sinusoidal wave. As a result, we observed a bubble oscillation following the pressure frequency. We also evaluated the resonance frequency of a bubble by changing the pressure frequency. It showed a good agreement with the analytical solution described above. Our future work is to extend the calculation into plural bubbles condition. We expect that interaction between bubbles becomes strong and resonance frequency of bubbles becomes small when distance between bubbles becomes small.
Student Solution Manual for Mathematical Methods for Physics and Engineering Third Edition

NASA Astrophysics Data System (ADS)

Riley, K. F.; Hobson, M. P.

2006-03-01

Preface; 1. Preliminary algebra; 2. Preliminary calculus; 3. Complex numbers and hyperbolic functions; 4. Series and limits; 5. Partial differentiation; 6. Multiple integrals; 7. Vector algebra; 8. Matrices and vector spaces; 9. Normal modes; 10. Vector calculus; 11. Line, surface and volume integrals; 12. Fourier series; 13. Integral transforms; 14. First-order ordinary differential equations; 15. Higher-order ordinary differential equations; 16. Series solutions of ordinary differential equations; 17. Eigenfunction methods for differential equations; 18. Special functions; 19. Quantum operators; 20. Partial differential equations: general and particular; 21. Partial differential equations: separation of variables; 22. Calculus of variations; 23. Integral equations; 24. Complex variables; 25. Application of complex variables; 26. Tensors; 27. Numerical methods; 28. Group theory; 29. Representation theory; 30. Probability; 31. Statistics.

Inclusion of exact exchange in the noniterative partial-differential-equation method of electron-molecule scattering - Application to e-N2

NASA Technical Reports Server (NTRS)

Weatherford, C. A.; Onda, K.; Temkin, A.

1985-01-01

The noniterative partial-differential-equation (PDE) approach to electron-molecule scattering of Onda and Temkin (1983) is modified to account for the effects of exchange explicitly. The exchange equation is reduced to a set of inhomogeneous equations containing no integral terms and solved noniteratively in a difference form; a method for propagating the solution to large values of r is described; the changes in the polarization potential of the original PDE method required by the inclusion of exact static exchange are indicated; and the results of computations for e-N2 scattering in the fixed-nuclei approximation are presented in tables and graphs and compared with previous calculations and experimental data. Better agreement is obtained using the modified PDE method.
A new solution procedure for a nonlinear infinite beam equation of motion

NASA Astrophysics Data System (ADS)

Jang, T. S.

2016-10-01

Our goal of this paper is of a purely theoretical question, however which would be fundamental in computational partial differential equations: Can a linear solution-structure for the equation of motion for an infinite nonlinear beam be directly manipulated for constructing its nonlinear solution? Here, the equation of motion is modeled as mathematically a fourth-order nonlinear partial differential equation. To answer the question, a pseudo-parameter is firstly introduced to modify the equation of motion. And then, an integral formalism for the modified equation is found here, being taken as a linear solution-structure. It enables us to formulate a nonlinear integral equation of second kind, equivalent to the original equation of motion. The fixed point approach, applied to the integral equation, results in proposing a new iterative solution procedure for constructing the nonlinear solution of the original beam equation of motion, which consists luckily of just the simple regular numerical integration for its iterative process; i.e., it appears to be fairly simple as well as straightforward to apply. A mathematical analysis is carried out on both natures of convergence and uniqueness of the iterative procedure by proving a contractive character of a nonlinear operator. It follows conclusively,therefore, that it would be one of the useful nonlinear strategies for integrating the equation of motion for a nonlinear infinite beam, whereby the preceding question may be answered. In addition, it may be worth noticing that the pseudo-parameter introduced here has double roles; firstly, it connects the original beam equation of motion with the integral equation, second, it is related with the convergence of the iterative method proposed here.
Intensity of play behavior as a potential measure of welfare: A novel method for quantifying the integrated intensity of behavior in African elephants.

PubMed

Vicino, Greg A; Marcacci, Emily S

2015-01-01

To the authors' knowledge there is currently no discrete index to measure the integrated intensity of a play bout in mammals, despite the potential for using intensity and duration of play bouts as a measure of physical activity and welfare. This study was developed to test an equation that quantified the intensity and duration of play bouts in a particularly gregarious mammal, African elephants (Loxodonta africana) housed at the San Diego Zoo Safari Park in Escondido, CA. To quantify these behaviors, we created a scale of intensity and a subsequent equation that produces an index value, giving each unique bout a score. A compilation of these scores provides a range of intensity of play behavior that is a representative value for that particular herd at that point in time, and thus a database to which later bouts can be compared. It can be argued that play behavior is an indicator of positive welfare, and if quantifiable, it is our belief that it can be used as an additional measure of positive welfare in zoo housed animals. Here we present the methods and technique used to calculate a standardized Integrated Play Index (IPI) that has potential for use in other socially living species that are known to exhibit play behavior. © 2015 Wiley Periodicals, Inc.
A new (2+1) dimensional integrable evolution equation for an ion acoustic wave in a magnetized plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mukherjee, Abhik, E-mail: abhik.mukherjee@saha.ac.in; Janaki, M. S., E-mail: ms.janaki@saha.ac.in; Kundu, Anjan, E-mail: anjan.kundu@saha.ac.in

2015-07-15

A new, completely integrable, two dimensional evolution equation is derived for an ion acoustic wave propagating in a magnetized, collisionless plasma. The equation is a multidimensional generalization of a modulated wavepacket with weak transverse propagation, which has resemblance to nonlinear Schrödinger (NLS) equation and has a connection to Kadomtsev-Petviashvili equation through a constraint relation. Higher soliton solutions of the equation are derived through Hirota bilinearization procedure, and an exact lump solution is calculated exhibiting 2D structure. Some mathematical properties demonstrating the completely integrable nature of this equation are described. Modulational instability using nonlinear frequency correction is derived, and the correspondingmore » growth rate is calculated, which shows the directional asymmetry of the system. The discovery of this novel (2+1) dimensional integrable NLS type equation for a magnetized plasma should pave a new direction of research in the field.« less
Generalized cable equation model for myelinated nerve fiber.

PubMed

Einziger, Pinchas D; Livshitz, Leonid M; Mizrahi, Joseph

2005-10-01

Herein, the well-known cable equation for nonmyelinated axon model is extended analytically for myelinated axon formulation. The myelinated membrane conductivity is represented via the Fourier series expansion. The classical cable equation is thereby modified into a linear second order ordinary differential equation with periodic coefficients, known as Hill's equation. The general internal source response, expressed via repeated convolutions, uniformly converges provided that the entire periodic membrane is passive. The solution can be interpreted as an extended source response in an equivalent nonmyelinated axon (i.e., the response is governed by the classical cable equation). The extended source consists of the original source and a novel activation function, replacing the periodic membrane in the myelinated axon model. Hill's equation is explicitly integrated for the specific choice of piecewise constant membrane conductivity profile, thereby resulting in an explicit closed form expression for the transmembrane potential in terms of trigonometric functions. The Floquet's modes are recognized as the nerve fiber activation modes, which are conventionally associated with the nonlinear Hodgkin-Huxley formulation. They can also be incorporated in our linear model, provided that the periodic membrane point-wise passivity constraint is properly modified. Indeed, the modified condition, enforcing the periodic membrane passivity constraint on the average conductivity only leads, for the first time, to the inclusion of the nerve fiber activation modes in our novel model. The validity of the generalized transmission-line and cable equation models for a myelinated nerve fiber, is verified herein through a rigorous Green's function formulation and numerical simulations for transmembrane potential induced in three-dimensional myelinated cylindrical cell. It is shown that the dominant pole contribution of the exact modal expansion is the transmembrane potential solution of our generalized model.
Integral equations in the study of polar and ionic interaction site fluids

PubMed Central

Howard, Jesse J.

2011-01-01

In this review article we consider some of the current integral equation approaches and application to model polar liquid mixtures. We consider the use of multidimensional integral equations and in particular progress on the theory and applications of three dimensional integral equations. The IEs we consider may be derived from equilibrium statistical mechanical expressions incorporating a classical Hamiltonian description of the system. We give example including salt solutions, inhomogeneous solutions and systems including proteins and nucleic acids. PMID:22383857
Geometric constraints on potentially singular solutions for the 3-D Euler equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Constantin, P.; Fefferman, C.; Majda, A.J.

1996-12-31

We discuss necessary and sufficient conditions for the formation of finite time singularities (blow up) in the incompressible three dimensional Euler equations. The well-known result of Beale, Kato and Majda states that these equations have smooth solutions on the time interval (0,t) if, and only if lim/t{r_arrow}T {integral}{sup t}{sub 0} {parallel}{Omega}({center_dot},s){parallel}{sub L}{sup {infinity}} (dx)dx < {infinity} where {Omega} = {triangledown} X u is the vorticity of the fluid and u is its divergence=free velocity. In this paper we prove criteria in which the direction of vorticity {xi} = {Omega}/{vert_bar}{Omega}{vert_bar} plays an important role.
A spectral boundary integral equation method for the 2-D Helmholtz equation

NASA Technical Reports Server (NTRS)

Hu, Fang Q.

1994-01-01

In this paper, we present a new numerical formulation of solving the boundary integral equations reformulated from the Helmholtz equation. The boundaries of the problems are assumed to be smooth closed contours. The solution on the boundary is treated as a periodic function, which is in turn approximated by a truncated Fourier series. A Fourier collocation method is followed in which the boundary integral equation is transformed into a system of algebraic equations. It is shown that in order to achieve spectral accuracy for the numerical formulation, the nonsmoothness of the integral kernels, associated with the Helmholtz equation, must be carefully removed. The emphasis of the paper is on investigating the essential elements of removing the nonsmoothness of the integral kernels in the spectral implementation. The present method is robust for a general boundary contour. Aspects of efficient implementation of the method using FFT are also discussed. A numerical example of wave scattering is given in which the exponential accuracy of the present numerical method is demonstrated.
The application of the least squares finite element method to Abel's integral equation. [with application to glow discharge problem

NASA Technical Reports Server (NTRS)

Balasubramanian, R.; Norrie, D. H.; De Vries, G.

1979-01-01

Abel's integral equation is the governing equation for certain problems in physics and engineering, such as radiation from distributed sources. The finite element method for the solution of this non-linear equation is presented for problems with cylindrical symmetry and the extension to more general integral equations is indicated. The technique was applied to an axisymmetric glow discharge problem and the results show excellent agreement with previously obtained solutions
On one solution of Volterra integral equations of second kind

NASA Astrophysics Data System (ADS)

Myrhorod, V.; Hvozdeva, I.

2016-10-01

A solution of Volterra integral equations of the second kind with separable and difference kernels based on solutions of corresponding equations linking the kernel and resolvent is suggested. On the basis of a discrete functions class, the equations linking the kernel and resolvent are obtained and the methods of their analytical solutions are proposed. A mathematical model of the gas-turbine engine state modification processes in the form of Volterra integral equation of the second kind with separable kernel is offered.
A parameter study of the two-fluid solar wind

NASA Technical Reports Server (NTRS)

Sandbaek, Ornulf; Leer, Egil; Holzer, Thomas E.

1992-01-01

A two-fluid model of the solar wind was introduced by Sturrock and Hartle (1966) and Hartle and Sturrock (1968). In these studies the proton energy equation was integrated neglecting the heat conductive term. Later several authors solved the equations for the two-fluid solar wind model keeping the proton heat conductive term. Methods where the equations are integrated simultaneously outward and inward from the critical point were used. The equations were also integrated inward from a large heliocentric distance. These methods have been applied to cases with low coronal base electron densities and high base temperatures. In this paper we present a method of integrating the two-fluid solar wind equations using an iteration procedure where the equations are integrated separately and the proton flux is kept constant during the integrations. The technique is applicable for a wide range of coronal base densities and temperatures. The method is used to carry out a parameter study of the two-fluid solar wind.
Quantum action for time-dependent Ginzburg-Landau equations

NASA Astrophysics Data System (ADS)

Thompson, R. S.

1994-02-01

A gauge-invariant formula is derived for the quantum action of a dirty superconductor with strong pair breaking. The major complication is the coupling between the order parameter and the electro-chemical potential, which is most simply expressed as an imaginary time integral. The perturbative modes of excitation are identified.
Probability density function evolution of power systems subject to stochastic variation of renewable energy

NASA Astrophysics Data System (ADS)

Wei, J. Q.; Cong, Y. C.; Xiao, M. Q.

2018-05-01

As renewable energies are increasingly integrated into power systems, there is increasing interest in stochastic analysis of power systems.Better techniques should be developed to account for the uncertainty caused by penetration of renewables and consequently analyse its impacts on stochastic stability of power systems. In this paper, the Stochastic Differential Equations (SDEs) are used to represent the evolutionary behaviour of the power systems. The stationary Probability Density Function (PDF) solution to SDEs modelling power systems excited by Gaussian white noise is analysed. Subjected to such random excitation, the Joint Probability Density Function (JPDF) solution to the phase angle and angular velocity is governed by the generalized Fokker-Planck-Kolmogorov (FPK) equation. To solve this equation, the numerical method is adopted. Special measure is taken such that the generalized FPK equation is satisfied in the average sense of integration with the assumed PDF. Both weak and strong intensities of the stochastic excitations are considered in a single machine infinite bus power system. The numerical analysis has the same result as the one given by the Monte Carlo simulation. Potential studies on stochastic behaviour of multi-machine power systems with random excitations are discussed at the end.
Active flow control insight gained from a modified integral boundary layer equation

NASA Astrophysics Data System (ADS)

Seifert, Avraham

2016-11-01

Active Flow Control (AFC) can alter the development of boundary layers with applications (e.g., reducing drag by separation delay or separating the boundary layers and enhancing vortex shedding to increase drag). Historically, significant effects of steady AFC methods were observed. Unsteady actuation is significantly more efficient than steady. Full-scale AFC tests were conducted with varying levels of success. While clearly relevant to industry, AFC implementation relies on expert knowledge with proven intuition and or costly and lengthy computational efforts. This situation hinders the use of AFC while simple, quick and reliable design method is absent. An updated form of the unsteady integral boundary layer (UIBL) equations, that include AFC terms (unsteady wall transpiration and body forces) can be used to assist in AFC analysis and design. With these equations and given a family of suitable velocity profiles, the momentum thickness can be calculated and matched with an outer, potential flow solution in 2D and 3D manner to create an AFC design tool, parallel to proven tools for airfoil design. Limiting cases of the UIBL equation can be used to analyze candidate AFC concepts in terms of their capability to modify the boundary layers development and system performance.
The staircase method: integrals for periodic reductions of integrable lattice equations

NASA Astrophysics Data System (ADS)

van der Kamp, Peter H.; Quispel, G. R. W.

2010-11-01

We show, in full generality, that the staircase method (Papageorgiou et al 1990 Phys. Lett. A 147 106-14, Quispel et al 1991 Physica A 173 243-66) provides integrals for mappings, and correspondences, obtained as traveling wave reductions of (systems of) integrable partial difference equations. We apply the staircase method to a variety of equations, including the Korteweg-De Vries equation, the five-point Bruschi-Calogero-Droghei equation, the quotient-difference (QD)-algorithm and the Boussinesq system. We show that, in all these cases, if the staircase method provides r integrals for an n-dimensional mapping, with 2r, then one can introduce q <= 2r variables, which reduce the dimension of the mapping from n to q. These dimension-reducing variables are obtained as joint invariants of k-symmetries of the mappings. Our results support the idea that often the staircase method provides sufficiently many integrals for the periodic reductions of integrable lattice equations to be completely integrable. We also study reductions on other quad-graphs than the regular {\\ Z}^2 lattice, and we prove linear growth of the multi-valuedness of iterates of high-dimensional correspondences obtained as reductions of the QD-algorithm.
An integrable semi-discrete Degasperis-Procesi equation

NASA Astrophysics Data System (ADS)

Feng, Bao-Feng; Maruno, Ken-ichi; Ohta, Yasuhiro

2017-06-01

Based on our previous work on the Degasperis-Procesi equation (Feng et al J. Phys. A: Math. Theor. 46 045205) and the integrable semi-discrete analogue of its short wave limit (Feng et al J. Phys. A: Math. Theor. 48 135203), we derive an integrable semi-discrete Degasperis-Procesi equation by Hirota’s bilinear method. Furthermore, N-soliton solution to the semi-discrete Degasperis-Procesi equation is constructed. It is shown that both the proposed semi-discrete Degasperis-Procesi equation, and its N-soliton solution converge to ones of the original Degasperis-Procesi equation in the continuum limit.
The Kadomtsev{endash}Petviashvili equation as a source of integrable model equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maccari, A.

1996-12-01

A new integrable and nonlinear partial differential equation (PDE) in 2+1 dimensions is obtained, by an asymptotically exact reduction method based on Fourier expansion and spatiotemporal rescaling, from the Kadomtsev{endash}Petviashvili equation. The integrability property is explicitly demonstrated, by exhibiting the corresponding Lax pair, that is obtained by applying the reduction technique to the Lax pair of the Kadomtsev{endash}Petviashvili equation. This model equation is likely to be of applicative relevance, because it may be considered a consistent approximation of a large class of nonlinear evolution PDEs. {copyright} {ital 1996 American Institute of Physics.}
On adiabatic pair potentials of highly charged colloid particles

NASA Astrophysics Data System (ADS)

Sogami, Ikuo S.

2018-03-01

Generalizing the Debye-Hückel formalism, we develop a new mean field theory for adiabatic pair potentials of highly charged particles in colloid dispersions. The unoccupied volume and the osmotic pressure are the key concepts to describe the chemical and thermodynamical equilibrium of the gas of small ions in the outside region of all of the colloid particles. To define the proper thermodynamic quantities, it is postulated to take an ensemble averaging with respect to the particle configurations in the integrals for their densities consisting of the electric potential satisfying a set of equations that are derived by linearizing the Poisson-Boltzmann equation. With the Fourier integral representation of the electric potential, we calculate first the internal electric energy of the system from which the Helmholtz free energy is obtained through the Legendre transformation. Then, the Gibbs free energy is calculated using both ways of the Legendre transformation with respect to the unoccupied volume and the summation of chemical potentials. The thermodynamic functions provide three types of pair potentials, all of which are inversely proportional to the fraction of the unoccupied volume. At the limit when the fraction factor reduces to unity, the Helmholtz pair potential turns exactly into the well known Derjaguin-Landau-Verwey-Overbeek repulsive potential. The Gibbs pair potential possessing a medium-range strong repulsive part and a long-range weak attractive tail can explain the Schulze-Hardy rule for coagulation in combination with the van der Waals-London potential and describes a rich variety of phenomena of phase transitions observed in the dilute dispersions of highly charged particles.
Computation of Hypersonic Shock Wave Flows of Multi-Component Reactive Gas Mixtures Using the Generalized Boltzmann Equation

DTIC Science & Technology

2009-03-27

ones like the Lennard - Jones potential with established parameters for each gas (e.g. N2 and 02), and for inelastic collisions DSMC method employs...solution of the collision integral. Lennard - Jones potential with two free parameters is used to obtain the elastic cross-section of the gas molecules...and the so called "combinatory relations" are used to obtain parameters of Lennard - Jones potential for an interaction of molecule A with molecule B
Simplifying Differential Equations for Multiscale Feynman Integrals beyond Multiple Polylogarithms.

PubMed

Adams, Luise; Chaubey, Ekta; Weinzierl, Stefan

2017-04-07

In this Letter we exploit factorization properties of Picard-Fuchs operators to decouple differential equations for multiscale Feynman integrals. The algorithm reduces the differential equations to blocks of the size of the order of the irreducible factors of the Picard-Fuchs operator. As a side product, our method can be used to easily convert the differential equations for Feynman integrals which evaluate to multiple polylogarithms to an ϵ form.

Solution of the nonlinear mixed Volterra-Fredholm integral equations by hybrid of block-pulse functions and Bernoulli polynomials.

PubMed

Mashayekhi, S; Razzaghi, M; Tripak, O

2014-01-01

A new numerical method for solving the nonlinear mixed Volterra-Fredholm integral equations is presented. This method is based upon hybrid functions approximation. The properties of hybrid functions consisting of block-pulse functions and Bernoulli polynomials are presented. The operational matrices of integration and product are given. These matrices are then utilized to reduce the nonlinear mixed Volterra-Fredholm integral equations to the solution of algebraic equations. Illustrative examples are included to demonstrate the validity and applicability of the technique.
Solution of the Nonlinear Mixed Volterra-Fredholm Integral Equations by Hybrid of Block-Pulse Functions and Bernoulli Polynomials

PubMed Central

Mashayekhi, S.; Razzaghi, M.; Tripak, O.

2014-01-01

A new numerical method for solving the nonlinear mixed Volterra-Fredholm integral equations is presented. This method is based upon hybrid functions approximation. The properties of hybrid functions consisting of block-pulse functions and Bernoulli polynomials are presented. The operational matrices of integration and product are given. These matrices are then utilized to reduce the nonlinear mixed Volterra-Fredholm integral equations to the solution of algebraic equations. Illustrative examples are included to demonstrate the validity and applicability of the technique. PMID:24523638
Two volume integral equations for the inhomogeneous and anisotropic forward problem in electroencephalography

NASA Astrophysics Data System (ADS)

Rahmouni, Lyes; Mitharwal, Rajendra; Andriulli, Francesco P.

2017-11-01

This work presents two new volume integral equations for the Electroencephalography (EEG) forward problem which, differently from the standard integral approaches in the domain, can handle heterogeneities and anisotropies of the head/brain conductivity profiles. The new formulations translate to the quasi-static regime some volume integral equation strategies that have been successfully applied to high frequency electromagnetic scattering problems. This has been obtained by extending, to the volume case, the two classical surface integral formulations used in EEG imaging and by introducing an extra surface equation, in addition to the volume ones, to properly handle boundary conditions. Numerical results corroborate theoretical treatments, showing the competitiveness of our new schemes over existing techniques and qualifying them as a valid alternative to differential equation based methods.
Algebraic Construction of Exact Difference Equations from Symmetry of Equations

NASA Astrophysics Data System (ADS)

Itoh, Toshiaki

2009-09-01

Difference equations or exact numerical integrations, which have general solutions, are treated algebraically. Eliminating the symmetries of the equation, we can construct difference equations (DCE) or numerical integrations equivalent to some ODEs or PDEs that means both have the same solution functions. When arbitrary functions are given, whether we can construct numerical integrations that have solution functions equal to given function or not are treated in this work. Nowadays, Lie's symmetries solver for ODE and PDE has been implemented in many symbolic software. Using this solver we can construct algebraic DCEs or numerical integrations which are correspond to some ODEs or PDEs. In this work, we treated exact correspondence between ODE or PDE and DCE or numerical integration with Gröbner base and Janet base from the view of Lie's symmetries.
Protecting High Energy Barriers: A New Equation to Regulate Boost Energy in Accelerated Molecular Dynamics Simulations.

PubMed

Sinko, William; de Oliveira, César Augusto F; Pierce, Levi C T; McCammon, J Andrew

2012-01-10

Molecular dynamics (MD) is one of the most common tools in computational chemistry. Recently, our group has employed accelerated molecular dynamics (aMD) to improve the conformational sampling over conventional molecular dynamics techniques. In the original aMD implementation, sampling is greatly improved by raising energy wells below a predefined energy level. Recently, our group presented an alternative aMD implementation where simulations are accelerated by lowering energy barriers of the potential energy surface. When coupled with thermodynamic integration simulations, this implementation showed very promising results. However, when applied to large systems, such as proteins, the simulation tends to be biased to high energy regions of the potential landscape. The reason for this behavior lies in the boost equation used since the highest energy barriers are dramatically more affected than the lower ones. To address this issue, in this work, we present a new boost equation that prevents oversampling of unfavorable high energy conformational states. The new boost potential provides not only better recovery of statistics throughout the simulation but also enhanced sampling of statistically relevant regions in explicit solvent MD simulations.
Liouvillian propagators, Riccati equation and differential Galois theory

NASA Astrophysics Data System (ADS)

Acosta-Humánez, Primitivo; Suazo, Erwin

2013-11-01

In this paper a Galoisian approach to building propagators through Riccati equations is presented. The main result corresponds to the relationship between the Galois integrability of the linear Schrödinger equation and the virtual solvability of the differential Galois group of its associated characteristic equation. As the main application of this approach we solve Ince’s differential equation through the Hamiltonian algebrization procedure and the Kovacic algorithm to find the propagator for a generalized harmonic oscillator. This propagator has applications which describe the process of degenerate parametric amplification in quantum optics and light propagation in a nonlinear anisotropic waveguide. Toy models of propagators inspired by integrable Riccati equations and integrable characteristic equations are also presented.
Master equations and the theory of stochastic path integrals

NASA Astrophysics Data System (ADS)

Weber, Markus F.; Frey, Erwin

2017-04-01

This review provides a pedagogic and self-contained introduction to master equations and to their representation by path integrals. Since the 1930s, master equations have served as a fundamental tool to understand the role of fluctuations in complex biological, chemical, and physical systems. Despite their simple appearance, analyses of master equations most often rely on low-noise approximations such as the Kramers-Moyal or the system size expansion, or require ad-hoc closure schemes for the derivation of low-order moment equations. We focus on numerical and analytical methods going beyond the low-noise limit and provide a unified framework for the study of master equations. After deriving the forward and backward master equations from the Chapman-Kolmogorov equation, we show how the two master equations can be cast into either of four linear partial differential equations (PDEs). Three of these PDEs are discussed in detail. The first PDE governs the time evolution of a generalized probability generating function whose basis depends on the stochastic process under consideration. Spectral methods, WKB approximations, and a variational approach have been proposed for the analysis of the PDE. The second PDE is novel and is obeyed by a distribution that is marginalized over an initial state. It proves useful for the computation of mean extinction times. The third PDE describes the time evolution of a ‘generating functional’, which generalizes the so-called Poisson representation. Subsequently, the solutions of the PDEs are expressed in terms of two path integrals: a ‘forward’ and a ‘backward’ path integral. Combined with inverse transformations, one obtains two distinct path integral representations of the conditional probability distribution solving the master equations. We exemplify both path integrals in analysing elementary chemical reactions. Moreover, we show how a well-known path integral representation of averaged observables can be recovered from them. Upon expanding the forward and the backward path integrals around stationary paths, we then discuss and extend a recent method for the computation of rare event probabilities. Besides, we also derive path integral representations for processes with continuous state spaces whose forward and backward master equations admit Kramers-Moyal expansions. A truncation of the backward expansion at the level of a diffusion approximation recovers a classic path integral representation of the (backward) Fokker-Planck equation. One can rewrite this path integral in terms of an Onsager-Machlup function and, for purely diffusive Brownian motion, it simplifies to the path integral of Wiener. To make this review accessible to a broad community, we have used the language of probability theory rather than quantum (field) theory and do not assume any knowledge of the latter. The probabilistic structures underpinning various technical concepts, such as coherent states, the Doi-shift, and normal-ordered observables, are thereby made explicit.
Master equations and the theory of stochastic path integrals.

PubMed

Weber, Markus F; Frey, Erwin

2017-04-01

This review provides a pedagogic and self-contained introduction to master equations and to their representation by path integrals. Since the 1930s, master equations have served as a fundamental tool to understand the role of fluctuations in complex biological, chemical, and physical systems. Despite their simple appearance, analyses of master equations most often rely on low-noise approximations such as the Kramers-Moyal or the system size expansion, or require ad-hoc closure schemes for the derivation of low-order moment equations. We focus on numerical and analytical methods going beyond the low-noise limit and provide a unified framework for the study of master equations. After deriving the forward and backward master equations from the Chapman-Kolmogorov equation, we show how the two master equations can be cast into either of four linear partial differential equations (PDEs). Three of these PDEs are discussed in detail. The first PDE governs the time evolution of a generalized probability generating function whose basis depends on the stochastic process under consideration. Spectral methods, WKB approximations, and a variational approach have been proposed for the analysis of the PDE. The second PDE is novel and is obeyed by a distribution that is marginalized over an initial state. It proves useful for the computation of mean extinction times. The third PDE describes the time evolution of a 'generating functional', which generalizes the so-called Poisson representation. Subsequently, the solutions of the PDEs are expressed in terms of two path integrals: a 'forward' and a 'backward' path integral. Combined with inverse transformations, one obtains two distinct path integral representations of the conditional probability distribution solving the master equations. We exemplify both path integrals in analysing elementary chemical reactions. Moreover, we show how a well-known path integral representation of averaged observables can be recovered from them. Upon expanding the forward and the backward path integrals around stationary paths, we then discuss and extend a recent method for the computation of rare event probabilities. Besides, we also derive path integral representations for processes with continuous state spaces whose forward and backward master equations admit Kramers-Moyal expansions. A truncation of the backward expansion at the level of a diffusion approximation recovers a classic path integral representation of the (backward) Fokker-Planck equation. One can rewrite this path integral in terms of an Onsager-Machlup function and, for purely diffusive Brownian motion, it simplifies to the path integral of Wiener. To make this review accessible to a broad community, we have used the language of probability theory rather than quantum (field) theory and do not assume any knowledge of the latter. The probabilistic structures underpinning various technical concepts, such as coherent states, the Doi-shift, and normal-ordered observables, are thereby made explicit.
Evaluating four-loop conformal Feynman integrals by D-dimensional differential equations

NASA Astrophysics Data System (ADS)

Eden, Burkhard; Smirnov, Vladimir A.

2016-10-01

We evaluate a four-loop conformal integral, i.e. an integral over four four-dimensional coordinates, by turning to its dimensionally regularized version and applying differential equations for the set of the corresponding 213 master integrals. To solve these linear differential equations we follow the strategy suggested by Henn and switch to a uniformly transcendental basis of master integrals. We find a solution to these equations up to weight eight in terms of multiple polylogarithms. Further, we present an analytical result for the given four-loop conformal integral considered in four-dimensional space-time in terms of single-valued harmonic polylogarithms. As a by-product, we obtain analytical results for all the other 212 master integrals within dimensional regularization, i.e. considered in D dimensions.
Application of the Sumudu Transform to Discrete Dynamic Systems

ERIC Educational Resources Information Center

Asiru, Muniru Aderemi

2003-01-01

The Sumudu transform is an integral transform introduced to solve differential equations and control engineering problems. The transform possesses many interesting properties that make visualization easier and application has been demonstrated in the solution of partial differential equations, integral equations, integro-differential equations and…
Computational Algorithms or Identification of Distributed Parameter Systems

DTIC Science & Technology

1993-04-24

delay-differential equations, Volterra integral equations, and partial differential equations with memory terms . In particular we investigated a...tested for estimating parameters in a Volterra integral equation arising from a viscoelastic model of a flexible structure with Boltzmann damping. In...particular, one of the parameters identified was the order of the derivative in Volterra integro-differential equations containing fractional
Application of integral equation theory to analyze stability of electric field in multimode microwave heating cavity

NASA Astrophysics Data System (ADS)

Tang, Zhengming; Hong, Tao; Chen, Fangyuan; Zhu, Huacheng; Huang, Kama

2017-10-01

Microwave heating uniformity is mainly dependent on and affected by electric field. However, little study has paid attention to its stability characteristics in multimode cavity. In this paper, this problem is studied by the theory of Freedholm integral equation. Firstly, Helmholtz equation and the electric dyadic Green's function are used to derive the electric field integral equation. Then, the stability of electric field is demonstrated as the characteristics of solutions to Freedholm integral equation. Finally, the stability characteristics are obtained and verified by finite element calculation. This study not only can provide a comprehensive interpretation of electric field in multimode cavity but also help us make better use of microwave energy.
A semi-discrete Kadomtsev-Petviashvili equation and its coupled integrable system

NASA Astrophysics Data System (ADS)

Li, Chun-Xia; Lafortune, Stéphane; Shen, Shou-Feng

2016-05-01

We establish connections between two cascades of integrable systems generated from the continuum limits of the Hirota-Miwa equation and its remarkable nonlinear counterpart under the Miwa transformation, respectively. Among these equations, we are mainly concerned with the semi-discrete bilinear Kadomtsev-Petviashvili (KP) equation which is seldomly studied in literature. We present both of its Casorati and Grammian determinant solutions. Through the Pfaffianization procedure proposed by Hirota and Ohta, we are able to derive the coupled integrable system for the semi-discrete KP equation.
Wavefronts, actions and caustics determined by the probability density of an Airy beam

NASA Astrophysics Data System (ADS)

Espíndola-Ramos, Ernesto; Silva-Ortigoza, Gilberto; Sosa-Sánchez, Citlalli Teresa; Julián-Macías, Israel; de Jesús Cabrera-Rosas, Omar; Ortega-Vidals, Paula; Alejandro Juárez-Reyes, Salvador; González-Juárez, Adriana; Silva-Ortigoza, Ramón

2018-07-01

The main contribution of the present work is to use the probability density of an Airy beam to identify its maxima with the family of caustics associated with the wavefronts determined by the level curves of a one-parameter family of solutions to the Hamilton–Jacobi equation with a given potential. To this end, we give a classical mechanics characterization of a solution of the one-dimensional Schrödinger equation in free space determined by a complete integral of the Hamilton–Jacobi and Laplace equations in free space. That is, with this type of solution, we associate a two-parameter family of wavefronts in the spacetime, which are the level curves of a one-parameter family of solutions to the Hamilton–Jacobi equation with a determined potential, and a one-parameter family of caustics. The general results are applied to an Airy beam to show that the maxima of its probability density provide a discrete set of: caustics, wavefronts and potentials. The results presented here are a natural generalization of those obtained by Berry and Balazs in 1979 for an Airy beam. Finally, we remark that, in a natural manner, each maxima of the probability density of an Airy beam determines a Hamiltonian system.
Equation of state of the one- and three-dimensional Bose-Bose gases

NASA Astrophysics Data System (ADS)

Chiquillo, Emerson

2018-06-01

We calculate the equation of state of Bose-Bose gases in one and three dimensions in the framework of an effective quantum field theory. The beyond-mean-field approximation at zero temperature and the one-loop finite-temperature results are obtained performing functional integration on a local effective action. The ultraviolet divergent zero-point quantum fluctuations are removed by means of dimensional regularization. We derive the nonlinear Schrödinger equation to describe one- and three-dimensional Bose-Bose mixtures and solve it analytically in the one-dimensional scenario. This equation supports self-trapped brightlike solitonic droplets and self-trapped darklike solitons. At low temperature, we also find that the pressure and the number of particles of symmetric quantum droplets have a nontrivial dependence on the chemical potential and the difference between the intra- and the interspecies coupling constants.
Whitham modulation theory for (2 + 1)-dimensional equations of Kadomtsev–Petviashvili type

NASA Astrophysics Data System (ADS)

Ablowitz, Mark J.; Biondini, Gino; Rumanov, Igor

2018-05-01

Whitham modulation theory for certain two-dimensional evolution equations of Kadomtsev–Petviashvili (KP) type is presented. Three specific examples are considered in detail: the KP equation, the two-dimensional Benjamin–Ono (2DBO) equation and a modified KP (m2KP) equation. A unified derivation is also provided. In the case of the m2KP equation, the corresponding Whitham modulation system exhibits features different from the other two. The approach presented here does not require integrability of the original evolution equation. Indeed, while the KP equation is known to be a completely integrable equation, the 2DBO equation and the m2KP equation are not known to be integrable. In each of the cases considered, the Whitham modulation system obtained consists of five first-order quasilinear partial differential equations. The Riemann problem (i.e. the analogue of the Gurevich–Pitaevskii problem) for the one-dimensional reduction of the m2KP equation is studied. For the m2KP equation, the system of modulation equations is used to analyze the linear stability of traveling wave solutions.
Applied Mathematical Methods in Theoretical Physics

NASA Astrophysics Data System (ADS)

Masujima, Michio

2005-04-01

All there is to know about functional analysis, integral equations and calculus of variations in a single volume. This advanced textbook is divided into two parts: The first on integral equations and the second on the calculus of variations. It begins with a short introduction to functional analysis, including a short review of complex analysis, before continuing a systematic discussion of different types of equations, such as Volterra integral equations, singular integral equations of Cauchy type, integral equations of the Fredholm type, with a special emphasis on Wiener-Hopf integral equations and Wiener-Hopf sum equations. After a few remarks on the historical development, the second part starts with an introduction to the calculus of variations and the relationship between integral equations and applications of the calculus of variations. It further covers applications of the calculus of variations developed in the second half of the 20th century in the fields of quantum mechanics, quantum statistical mechanics and quantum field theory. Throughout the book, the author presents over 150 problems and exercises -- many from such branches of physics as quantum mechanics, quantum statistical mechanics, and quantum field theory -- together with outlines of the solutions in each case. Detailed solutions are given, supplementing the materials discussed in the main text, allowing problems to be solved making direct use of the method illustrated. The original references are given for difficult problems. The result is complete coverage of the mathematical tools and techniques used by physicists and applied mathematicians Intended for senior undergraduates and first-year graduates in science and engineering, this is equally useful as a reference and self-study guide.
Green's function solution to heat transfer of a transparent gas through a tube

NASA Technical Reports Server (NTRS)

Frankel, J. I.

1989-01-01

A heat transfer analysis of a transparent gas flowing through a circular tube of finite thickness is presented. This study includes the effects of wall conduction, internal radiative exchange, and convective heat transfer. The natural mathematical formulation produces a nonlinear, integrodifferential equation governing the wall temperature and an ordinary differential equation describing the gas temperature. This investigation proposes to convert the original system of equations into an equivalent system of integral equations. The Green's function method permits the conversion of an integrodifferential equation into a pure integral equation. The proposed integral formulation and subsequent computational procedure are shown to be stable and accurate.
First integrals of the axisymmetric shape equation of lipid membranes

NASA Astrophysics Data System (ADS)

Zhang, Yi-Heng; McDargh, Zachary; Tu, Zhan-Chun

2018-03-01

The shape equation of lipid membranes is a fourth-order partial differential equation. Under the axisymmetric condition, this equation was transformed into a second-order ordinary differential equation (ODE) by Zheng and Liu (Phys. Rev. E 48 2856 (1993)). Here we try to further reduce this second-order ODE to a first-order ODE. First, we invert the usual process of variational calculus, that is, we construct a Lagrangian for which the ODE is the corresponding Euler–Lagrange equation. Then, we seek symmetries of this Lagrangian according to the Noether theorem. Under a certain restriction on Lie groups of the shape equation, we find that the first integral only exists when the shape equation is identical to the Willmore equation, in which case the symmetry leading to the first integral is scale invariance. We also obtain the mechanical interpretation of the first integral by using the membrane stress tensor. Project supported by the National Natural Science Foundation of China (Grant No. 11274046) and the National Science Foundation of the United States (Grant No. 1515007).
A hierarchical preconditioner for the electric field integral equation on unstructured meshes based on primal and dual Haar bases

NASA Astrophysics Data System (ADS)

Adrian, S. B.; Andriulli, F. P.; Eibert, T. F.

2017-02-01

A new hierarchical basis preconditioner for the electric field integral equation (EFIE) operator is introduced. In contrast to existing hierarchical basis preconditioners, it works on arbitrary meshes and preconditions both the vector and the scalar potential within the EFIE operator. This is obtained by taking into account that the vector and the scalar potential discretized with loop-star basis functions are related to the hypersingular and the single layer operator (i.e., the well known integral operators from acoustics). For the single layer operator discretized with piecewise constant functions, a hierarchical preconditioner can easily be constructed. Thus the strategy we propose in this work for preconditioning the EFIE is the transformation of the scalar and the vector potential into operators equivalent to the single layer operator and to its inverse. More specifically, when the scalar potential is discretized with star functions as source and testing functions, the resulting matrix is a single layer operator discretized with piecewise constant functions and multiplied left and right with two additional graph Laplacian matrices. By inverting these graph Laplacian matrices, the discretized single layer operator is obtained, which can be preconditioned with the hierarchical basis. Dually, when the vector potential is discretized with loop functions, the resulting matrix can be interpreted as a hypersingular operator discretized with piecewise linear functions. By leveraging on a scalar Calderón identity, we can interpret this operator as spectrally equivalent to the inverse single layer operator. Then we use a linear-in-complexity, closed-form inverse of the dual hierarchical basis to precondition the hypersingular operator. The numerical results show the effectiveness of the proposed preconditioner and the practical impact of theoretical developments in real case scenarios.

Soliton structure versus singularity analysis: Third-order completely intergrable nonlinear differential equations in 1 + 1-dimensions

NASA Astrophysics Data System (ADS)

Fuchssteiner, Benno; Carillo, Sandra

1989-01-01

Bäcklund transformations between all known completely integrable third-order differential equations in (1 + 1)-dimensions are established and the corresponding transformations formulas for their hereditary operators and Hamiltonian formulations are exhibited. Some of these Bäcklund transformations are not injective; therefore additional non-commutative symmetry groups are found for some equations. These non-commutative symmetry groups are classified as having a semisimple part isomorphic to the affine algebra A(1)1. New completely integrable third-order integro-differential equations, some depending explicitly on x, are given. These new equations give rise to nonin equation. Connections between the singularity equations (from the Painlevé analysis) and the nonlinear equations for interacting solitons are established. A common approach to singularity analysis and soliton structure is introduced. The Painlevé analysis is modified in such a sense that it carries over directly and without difficulty to the time evolution of singularity manifolds of equations like the sine-Gordon and nonlinear Schrödinger equation. A method to recover the Painlevé series from its constant level term is exhibit. The soliton-singularity transform is recognized to be connected to the Möbius group. This gives rise to a Darboux-like result for the spectral properties of the recursion operator. These connections are used in order to explain why poles of soliton equations move like trajectories of interacting solitons. Furthermore it is explicitly computed how solitons of singularity equations behave under the effect of this soliton-singularity transform. This then leads to the result that only for scaling degrees α = -1 and α = -2 the usual Painlevé analysis can be carried out. A new invariance principle, connected to kernels of differential operators is discovered. This new invariance, for example, connects the explicit solutions of the Liouville equation with the Miura transform. Simple methods are exhibited which allow to compute out of N-soliton solutions of the KdV (Bargman potentials) explicit solutions of equations like the Harry Dym equation. Certain solutions are plotted.
Derivation of the Schrodinger Equation from the Hamilton-Jacobi Equation in Feynman's Path Integral Formulation of Quantum Mechanics

ERIC Educational Resources Information Center

Field, J. H.

2011-01-01

It is shown how the time-dependent Schrodinger equation may be simply derived from the dynamical postulate of Feynman's path integral formulation of quantum mechanics and the Hamilton-Jacobi equation of classical mechanics. Schrodinger's own published derivations of quantum wave equations, the first of which was also based on the Hamilton-Jacobi…
Development Of A Navier-Stokes Computer Code

NASA Technical Reports Server (NTRS)

Yoon, Seokkwan; Kwak, Dochan

1993-01-01

Report discusses aspects of development of CENS3D computer code, solving three-dimensional Navier-Stokes equations of compressible, viscous, unsteady flow. Implements implicit finite-difference or finite-volume numerical-integration scheme, called "lower-upper symmetric-Gauss-Seidel" (LU-SGS), offering potential for very low computer time per iteration and for fast convergence.
Advancing the Theory of Nuclear Reactions with Rare Isotopes: From the Laboratory to the Cosmos

DOE Office of Scientific and Technical Information (OSTI.GOV)

Elster, Charlotte

2015-06-01

The mission of the TORUS Topical Collaboration is to develop new methods that will advance nuclear reaction theory for unstable isotopes by using three-body techniques to improve direct-reaction calculations, and, by using a new partial-fusion theory, to integrate descriptions of direct and compound-nucleus reactions. Ohio University concentrates its efforts on the first part of the mission. Since direct measurements are often not feasible, indirect methods, e.g. (d,p) reactions, should be used. Those (d,p) reactions may be viewed as three-body reactions and described with Faddeev techniques. Faddeev equations in momentum space have a long tradition of utilizing separable interactions in ordermore » to arrive at sets of coupled integral equations in one variable. While there exist several separable representations for the nucleon-nucleon interaction, the optical potential between a neutron (proton) and a nucleus is not readily available in separable form. For this reason we first embarked in introducing a separable representation for complex phenomenological optical potentials of Woods-Saxon type.« less
Exponential Methods for the Time Integration of Schroedinger Equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cano, B.; Gonzalez-Pachon, A.

2010-09-30

We consider exponential methods of second order in time in order to integrate the cubic nonlinear Schroedinger equation. We are interested in taking profit of the special structure of this equation. Therefore, we look at symmetry, symplecticity and approximation of invariants of the proposed methods. That will allow to integrate till long times with reasonable accuracy. Computational efficiency is also our aim. Therefore, we make numerical computations in order to compare the methods considered and so as to conclude that explicit Lawson schemes projected on the norm of the solution are an efficient tool to integrate this equation.
Long-time asymptotic solution structure of Camassa-Holm equation subject to an initial condition with non-zero reflection coefficient of the scattering data

NASA Astrophysics Data System (ADS)

Chang, Chueh-Hsin; Yu, Ching-Hao; Sheu, Tony Wen-Hann

2016-10-01

In this article, we numerically revisit the long-time solution behavior of the Camassa-Holm equation ut - uxxt + 2ux + 3uux = 2uxuxx + uuxxx. The finite difference solution of this integrable equation is sought subject to the newly derived initial condition with Delta-function potential. Our underlying strategy of deriving a numerical phase accurate finite difference scheme in time domain is to reduce the numerical dispersion error through minimization of the derived discrepancy between the numerical and exact modified wavenumbers. Additionally, to achieve the goal of conserving Hamiltonians in the completely integrable equation of current interest, a symplecticity-preserving time-stepping scheme is developed. Based on the solutions computed from the temporally symplecticity-preserving and the spatially wavenumber-preserving schemes, the long-time asymptotic CH solution characters can be accurately depicted in distinct regions of the space-time domain featuring with their own quantitatively very different solution behaviors. We also aim to numerically confirm that in the two transition zones their long-time asymptotics can indeed be described in terms of the theoretically derived Painlevé transcendents. Another attempt of this study is to numerically exhibit a close connection between the presently predicted finite-difference solution and the solution of the Painlevé ordinary differential equation of type II in two different transition zones.
Integral equation and thermodynamic perturbation theory for a two-dimensional model of dimerising fluid

PubMed Central

Urbic, Tomaz

2016-01-01

In this paper we applied an analytical theory for the two dimensional dimerising fluid. We applied Wertheims thermodynamic perturbation theory (TPT) and integral equation theory (IET) for associative liquids to the dimerising model with arbitrary position of dimerising points from center of the particles. The theory was used to study thermodynamical and structural properties. To check the accuracy of the theories we compared theoretical results with corresponding results obtained by Monte Carlo computer simulations. The theories are accurate for the different positions of patches of the model at all values of the temperature and density studied. IET correctly predicts the pair correlation function of the model. Both TPT and IET are in good agreement with the Monte Carlo values of the energy, pressure, chemical potential, compressibility and ratios of free and bonded particles. PMID:28529396
Comparative Analysis of Models of the Earth's Gravity: 3. Accuracy of Predicting EAS Motion

NASA Astrophysics Data System (ADS)

Kuznetsov, E. D.; Berland, V. E.; Wiebe, Yu. S.; Glamazda, D. V.; Kajzer, G. T.; Kolesnikov, V. I.; Khremli, G. P.

2002-05-01

This paper continues a comparative analysis of modern satellite models of the Earth's gravity which we started in [6, 7]. In the cited works, the uniform norms of spherical functions were compared with their gradients for individual harmonics of the geopotential expansion [6] and the potential differences were compared with the gravitational accelerations obtained in various models of the Earth's gravity [7]. In practice, it is important to know how consistently the EAS motion is represented by various geopotential models. Unless otherwise stated, a model version in which the equations of motion are written using the classical Encke scheme and integrated together with the variation equations by the implicit one-step Everhart's algorithm [1] was used. When calculating coordinates and velocities on the integration step (at given instants of time), the approximate Everhart formula was employed.
Strong nonlinear rupture theory of thin free liquid films

NASA Astrophysics Data System (ADS)

Chi-Chuan, Hwang; Jun-Liang, Chen; Li-Fu, Shen; Cheng-I, Weng

1996-02-01

A simplified governing equation with high-order effects is formulated after a procedure of evaluating the order of magnitude. Furthermore, the nonlinear evolution equations are derived by the Kármán-Polhausen integral method with a specified velocity profile. Particularly, the effects of surface tension, van der Waals potential, inertia and high-order viscous dissipation are taken into consideration in these equation. The numerical results reveal that the rupture time of free film is much shorter than that of a film on a flat plate. It is shown that because of a more complete high-order viscous dissipation effect discussed in the present study, the rupture process of present model is slower than is predicted by the high-order long wave theory.
Numerical Solution of the Gyrokinetic Poisson Equation in TEMPEST

NASA Astrophysics Data System (ADS)

Dorr, Milo; Cohen, Bruce; Cohen, Ronald; Dimits, Andris; Hittinger, Jeffrey; Kerbel, Gary; Nevins, William; Rognlien, Thomas; Umansky, Maxim; Xiong, Andrew; Xu, Xueqiao

2006-10-01

The gyrokinetic Poisson (GKP) model in the TEMPEST continuum gyrokinetic edge plasma code yields the electrostatic potential due to the charge density of electrons and an arbitrary number of ion species including the effects of gyroaveraging in the limit kρ1. The TEMPEST equations are integrated as a differential algebraic system involving a nonlinear system solve via Newton-Krylov iteration. The GKP preconditioner block is inverted using a multigrid preconditioned conjugate gradient (CG) algorithm. Electrons are treated as kinetic or adiabatic. The Boltzmann relation in the adiabatic option employs flux surface averaging to maintain neutrality within field lines and is solved self-consistently with the GKP equation. A decomposition procedure circumvents the near singularity of the GKP Jacobian block that otherwise degrades CG convergence.
Discrete integration of continuous Kalman filtering equations for time invariant second-order structural systems

NASA Technical Reports Server (NTRS)

Park, K. C.; Belvin, W. Keith

1990-01-01

A general form for the first-order representation of the continuous second-order linear structural-dynamics equations is introduced to derive a corresponding form of first-order continuous Kalman filtering equations. Time integration of the resulting equations is carried out via a set of linear multistep integration formulas. It is shown that a judicious combined selection of computational paths and the undetermined matrices introduced in the general form of the first-order linear structural systems leads to a class of second-order discrete Kalman filtering equations involving only symmetric sparse N x N solution matrices.
Integrability and structural stability of solutions to the Ginzburg-Landau equation

NASA Technical Reports Server (NTRS)

Keefe, Laurence R.

1986-01-01

The integrability of the Ginzburg-Landau equation is studied to investigate if the existence of chaotic solutions found numerically could have been predicted a priori. The equation is shown not to possess the Painleveproperty, except for a special case of the coefficients that corresponds to the integrable, nonlinear Schroedinger (NLS) equation. Regarding the Ginzburg-Landau equation as a dissipative perturbation of the NLS, numerical experiments show all but one of a family of two-tori solutions, possessed by the NLS under particular conditions, to disappear under real perturbations to the NLS coefficients of O(10 to the -6th).
Ac electroosmotic flows above coplanar electrodes

NASA Astrophysics Data System (ADS)

Kweon Suh, Yong

2009-03-01

Interactive numerical method has been proposed to calculate the ac electroosmotic flows above a pair of coplanar electrodes. The thin electrical triple layer (ETL) has been modeled by an asymptotic theory developed by the authors. The model corresponds to a simple dynamic equation for the surface charge density representing the integrated charge over the inner layer. Interactive calculation of the dynamic equation and the Laplace equation for several periods of ac frequency then yielded steady-state distribution of potential and the potential drop across the Stern and inner layers. The Smoluchowski's slip velocity was then determined from those two set of data and used as the boundary condition for the calculation of the Stokes' flow above the electrodes. We have shown that our solutions compared well with the experimental data reported in the literature. We investigated the effect of various parameters on the slip velocity distribution, such as the ac frequency, the electrode length, the effective Stern-layer thickness and the adsorption coefficients.
Symbolic computation of recurrence equations for the Chebyshev series solution of linear ODE's. [ordinary differential equations

NASA Technical Reports Server (NTRS)

Geddes, K. O.

1977-01-01

If a linear ordinary differential equation with polynomial coefficients is converted into integrated form then the formal substitution of a Chebyshev series leads to recurrence equations defining the Chebyshev coefficients of the solution function. An explicit formula is presented for the polynomial coefficients of the integrated form in terms of the polynomial coefficients of the differential form. The symmetries arising from multiplication and integration of Chebyshev polynomials are exploited in deriving a general recurrence equation from which can be derived all of the linear equations defining the Chebyshev coefficients. Procedures for deriving the general recurrence equation are specified in a precise algorithmic notation suitable for translation into any of the languages for symbolic computation. The method is algebraic and it can therefore be applied to differential equations containing indeterminates.
Higher-order rogue wave-like solutions for a nonautonomous nonlinear Schrödinger equation with external potentials

NASA Astrophysics Data System (ADS)

Liu, Lei; Tian, Bo; Wu, Xiao-Yu; Sun, Yan

2018-02-01

Under investigation in this paper is the higher-order rogue wave-like solutions for a nonautonomous nonlinear Schrödinger equation with external potentials which can be applied in the nonlinear optics, hydrodynamics, plasma physics and Bose-Einstein condensation. Based on the Kadomtsev-Petviashvili hierarchy reduction, we construct the Nth order rogue wave-like solutions in terms of the Gramian under the integrable constraint. With the help of the analytic and graphic analysis, we exhibit the first-, second- and third-order rogue wave-like solutions through the different dispersion, nonlinearity and linear potential coefficients. We find that only if the dispersion and nonlinearity coefficients are proportional to each other, heights of the background of those rogue waves maintain unchanged with time increasing. Due to the existence of complex parameters, such nonautonomous rogue waves in the higher-order cases have more complex features than those in the lower.
Operator product expansion in Liouville field theory and Seiberg-type transitions in log-correlated random energy models

NASA Astrophysics Data System (ADS)

Cao, Xiangyu; Le Doussal, Pierre; Rosso, Alberto; Santachiara, Raoul

2018-04-01

We study transitions in log-correlated random energy models (logREMs) that are related to the violation of a Seiberg bound in Liouville field theory (LFT): the binding transition and the termination point transition (a.k.a., pre-freezing). By means of LFT-logREM mapping, replica symmetry breaking and traveling-wave equation techniques, we unify both transitions in a two-parameter diagram, which describes the free-energy large deviations of logREMs with a deterministic background log potential, or equivalently, the joint moments of the free energy and Gibbs measure in logREMs without background potential. Under the LFT-logREM mapping, the transitions correspond to the competition of discrete and continuous terms in a four-point correlation function. Our results provide a statistical interpretation of a peculiar nonlocality of the operator product expansion in LFT. The results are rederived by a traveling-wave equation calculation, which shows that the features of LFT responsible for the transitions are reproduced in a simple model of diffusion with absorption. We examine also the problem by a replica symmetry breaking analysis. It complements the previous methods and reveals a rich large deviation structure of the free energy of logREMs with a deterministic background log potential. Many results are verified in the integrable circular logREM, by a replica-Coulomb gas integral approach. The related problem of common length (overlap) distribution is also considered. We provide a traveling-wave equation derivation of the LFT predictions announced in a precedent work.
An improved two-dimensional depth-integrated flow equation for rough-walled fractures

NASA Astrophysics Data System (ADS)

Mallikamas, Wasin; Rajaram, Harihar

2010-08-01

We present the development of an improved 2-D flow equation for rough-walled fractures. Our improved equation accounts for the influence of midsurface tortuosity and the fact that the aperture normal to the midsurface is in general smaller than the vertical aperture. It thus improves upon the well-known Reynolds equation that is widely used for modeling flow in fractures. Unlike the Reynolds equation, our approach begins from the lubrication approximation applied in an inclined local coordinate system tangential to the fracture midsurface. The local flow equation thus obtained is rigorously transformed to an arbitrary global Cartesian coordinate system, invoking the concepts of covariant and contravariant transformations for vectors defined on surfaces. Unlike previously proposed improvements to the Reynolds equation, our improved flow equation accounts for tortuosity both along and perpendicular to a flow path. Our approach also leads to a well-defined anisotropic local transmissivity tensor relating the representations of the flux and head gradient vectors in a global Cartesian coordinate system. We show that the principal components of the transmissivity tensor and the orientation of its principal axes depend on the directional local midsurface slopes. In rough-walled fractures, the orientations of the principal axes of the local transmissivity tensor will vary from point to point. The local transmissivity tensor also incorporates the influence of the local normal aperture, which is uniquely defined at each point in the fracture. Our improved flow equation is a rigorous statement of mass conservation in any global Cartesian coordinate system. We present three examples of simple geometries to compare our flow equation to analytical solutions obtained using the exact Stokes equations: an inclined parallel plate, and circumferential and axial flows in an incomplete annulus. The effective transmissivities predicted by our flow equation agree very well with values obtained using the exact Stokes equations in all these cases. We discuss potential limitations of our depth-integrated equation, which include the neglect of convergence/divergence and the inaccuracies implicit in any depth-averaging process near sharp corners where the wall and midsurface curvatures are large.
Entrainment of bed material by Earth-surface mass flows: review and reformulation of depth-integrated theory

USGS Publications Warehouse

Iverson, Richard M.; Chaojun Ouyang,

2015-01-01

Earth-surface mass flows such as debris flows, rock avalanches, and dam-break floods can grow greatly in size and destructive potential by entraining bed material they encounter. Increasing use of depth-integrated mass- and momentum-conservation equations to model these erosive flows motivates a review of the underlying theory. Our review indicates that many existing models apply depth-integrated conservation principles incorrectly, leading to spurious inferences about the role of mass and momentum exchanges at flow-bed boundaries. Model discrepancies can be rectified by analyzing conservation of mass and momentum in a two-layer system consisting of a moving upper layer and static lower layer. Our analysis shows that erosion or deposition rates at the interface between layers must in general satisfy three jump conditions. These conditions impose constraints on valid erosion formulas, and they help determine the correct forms of depth-integrated conservation equations. Two of the three jump conditions are closely analogous to Rankine-Hugoniot conditions that describe the behavior of shocks in compressible gasses, and the third jump condition describes shear traction discontinuities that necessarily exist across eroding boundaries. Grain-fluid mixtures commonly behave as compressible materials as they undergo entrainment, because changes in bulk density occur as the mixtures mobilize and merge with an overriding flow. If no bulk density change occurs, then only the shear-traction jump condition applies. Even for this special case, however, accurate formulation of depth-integrated momentum equations requires a clear distinction between boundary shear tractions that exist in the presence or absence of bed erosion.
Effective quadrature formula in solving linear integro-differential equations of order two

NASA Astrophysics Data System (ADS)

Eshkuvatov, Z. K.; Kammuji, M.; Long, N. M. A. Nik; Yunus, Arif A. M.

2017-08-01

In this note, we solve general form of Fredholm-Volterra integro-differential equations (IDEs) of order 2 with boundary condition approximately and show that proposed method is effective and reliable. Initially, IDEs is reduced into integral equation of the third kind by using standard integration techniques and identity between multiple and single integrals then truncated Legendre series are used to estimate the unknown function. For the kernel integrals, we have applied Gauss-Legendre quadrature formula and collocation points are chosen as the roots of the Legendre polynomials. Finally, reduce the integral equations of the third kind into the system of algebraic equations and Gaussian elimination method is applied to get approximate solutions. Numerical examples and comparisons with other methods reveal that the proposed method is very effective and dominated others in many cases. General theory of existence of the solution is also discussed.
Solutions to Kuessner's integral equation in unsteady flow using local basis functions

NASA Technical Reports Server (NTRS)

Fromme, J. A.; Halstead, D. W.

1975-01-01

The computational procedure and numerical results are presented for a new method to solve Kuessner's integral equation in the case of subsonic compressible flow about harmonically oscillating planar surfaces with controls. Kuessner's equation is a linear transformation from pressure to normalwash. The unknown pressure is expanded in terms of prescribed basis functions and the unknown basis function coefficients are determined in the usual manner by satisfying the given normalwash distribution either collocationally or in the complex least squares sense. The present method of solution differs from previous ones in that the basis functions are defined in a continuous fashion over a relatively small portion of the aerodynamic surface and are zero elsewhere. This method, termed the local basis function method, combines the smoothness and accuracy of distribution methods with the simplicity and versatility of panel methods. Predictions by the local basis function method for unsteady flow are shown to be in excellent agreement with other methods. Also, potential improvements to the present method and extensions to more general classes of solutions are discussed.

Effective long wavelength scalar dynamics in de Sitter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moss, Ian; Rigopoulos, Gerasimos, E-mail: ian.moss@newcastle.ac.uk, E-mail: gerasimos.rigopoulos@ncl.ac.uk

We discuss the effective infrared theory governing a light scalar's long wavelength dynamics in de Sitter spacetime. We show how the separation of scales around the physical curvature radius k / a ∼ H can be performed consistently with a window function and how short wavelengths can be integrated out in the Schwinger-Keldysh path integral formalism. At leading order, and for time scales Δ t >> H {sup −1}, this results in the well-known Starobinsky stochastic evolution. However, our approach allows for the computation of quantum UV corrections, generating an effective potential on which the stochastic dynamics takes place. Themore » long wavelength stochastic dynamical equations are now second order in time, incorporating temporal scales Δ t ∼ H {sup −1} and resulting in a Kramers equation for the probability distribution—more precisely the Wigner function—in contrast to the more usual Fokker-Planck equation. This feature allows us to non-perturbatively evaluate, within the stochastic formalism, not only expectation values of field correlators, but also the stress-energy tensor of φ.« less
[Clinical exercise testing and the Fick equation: strategic thinking for optimizing diagnosis].

PubMed

Perrault, H; Richard, R

2012-04-01

This article examines the expected exercise-induced changes in the components of the oxygen transport system as described by the Fick equation with a view to enable a critical analysis of a standard incremental exercise test to identify normal and abnormal patterns of responses and generate hypotheses as to potential physiological and/or pathophysiological causes. The text reviews basic physiological principals and provides useful reminders of standard equations that serve to integrate circulatory, respiratory and skeletal muscle functions. More specifically, the article provides a conceptual and quantitative framework linking the exercise-induced increase in whole body oxygen uptake to central circulatory and peripheral circulatory factors with the view to establish the normalcy of response. Thus, the article reviews the exercise response to cardiac output determinants and provides qualitative and quantitative perspective bases for making assumptions on the peripheral circulatory factors and oxygen use. Finally, the article demonstrates the usefulness of exercise testing as an effective integrative physiological approach to develop clinical reasoning or verify pathophysiological outcomes. Copyright © 2012 SPLF. Published by Elsevier Masson SAS. All rights reserved.
An integrable family of Monge-Ampère equations and their multi-Hamiltonian structure

NASA Astrophysics Data System (ADS)

Nutku, Y.; Sarioǧlu, Ö.

1993-02-01

We have identified a completely integrable family of Monge-Ampère equations through an examination of their Hamiltonian structure. Starting with a variational formulation of the Monge-Ampère equations we have constructed the first Hamiltonian operator through an application of Dirac's theory of constraints. The completely integrable class of Monge-Ampère equations are then obtained by solving the Jacobi identities for a sufficiently general form of the second Hamiltonian operator that is compatible with the first.
Extremely Fast Numerical Integration of Ocean Surface Wave Dynamics

DTIC Science & Technology

2007-09-30

sub-processor must be added as shown in the blue box of Fig. 1. We first consider the Kadomtsev - Petviashvili (KP) equation ηt + coηx +αηηx + βη ...analytic integration of the so-called “soliton equations ,” I have discovered how the GFT can be used to solved higher order equations for which study...analytical study and extremely fast numerical integration of the extended nonlinear Schroedinger equation for fully three dimensional wave motion
Alternate Solution to Generalized Bernoulli Equations via an Integrating Factor: An Exact Differential Equation Approach

ERIC Educational Resources Information Center

Tisdell, C. C.

2017-01-01

Solution methods to exact differential equations via integrating factors have a rich history dating back to Euler (1740) and the ideas enjoy applications to thermodynamics and electromagnetism. Recently, Azevedo and Valentino presented an analysis of the generalized Bernoulli equation, constructing a general solution by linearizing the problem…
Continuous properties of the data-to-solution map for a generalized μ-Camassa-Holm integrable equation

NASA Astrophysics Data System (ADS)

Yu, Shengqi

2018-05-01

This work studies a generalized μ-type integrable equation with both quadratic and cubic nonlinearities; the μ-Camassa-Holm and modified μ-Camassa-Holm equations are members of this family of equations. It has been shown that the Cauchy problem for this generalized μ-Camassa-Holm integrable equation is locally well-posed for initial data u0 ∈ Hs, s > 5/2. In this work, we further investigate the continuity properties to this equation. It is proved in this work that the data-to-solution map of the proposed equation is not uniformly continuous. It is also found that the solution map is Hölder continuous in the Hr-topology when 0 ≤ r < s with Hölder exponent α depending on both s and r.
A New Formulation of Time Domain Boundary Integral Equation for Acoustic Wave Scattering in the Presence of a Uniform Mean Flow

NASA Technical Reports Server (NTRS)

Hu, Fang; Pizzo, Michelle E.; Nark, Douglas M.

2017-01-01

It has been well-known that under the assumption of a constant uniform mean flow, the acoustic wave propagation equation can be formulated as a boundary integral equation, in both the time domain and the frequency domain. Compared with solving partial differential equations, numerical methods based on the boundary integral equation have the advantage of a reduced spatial dimension and, hence, requiring only a surface mesh. However, the constant uniform mean flow assumption, while convenient for formulating the integral equation, does not satisfy the solid wall boundary condition wherever the body surface is not aligned with the uniform mean flow. In this paper, we argue that the proper boundary condition for the acoustic wave should not have its normal velocity be zero everywhere on the solid surfaces, as has been applied in the literature. A careful study of the acoustic energy conservation equation is presented that shows such a boundary condition in fact leads to erroneous source or sink points on solid surfaces not aligned with the mean flow. A new solid wall boundary condition is proposed that conserves the acoustic energy and a new time domain boundary integral equation is derived. In addition to conserving the acoustic energy, another significant advantage of the new equation is that it is considerably simpler than previous formulations. In particular, tangential derivatives of the solution on the solid surfaces are no longer needed in the new formulation, which greatly simplifies numerical implementation. Furthermore, stabilization of the new integral equation by Burton-Miller type reformulation is presented. The stability of the new formulation is studied theoretically as well as numerically by an eigenvalue analysis. Numerical solutions are also presented that demonstrate the stability of the new formulation.
On the use of co-ordinate stretching in the numeral computation of high frequency scattering. [of jet engine noise by fuselage

NASA Technical Reports Server (NTRS)

Bayliss, A.

1978-01-01

The scattering of the sound of a jet engine by an airplane fuselage is modeled by solving the axially symmetric Helmholtz equation exterior to a long thin ellipsoid. The integral equation method based on the single layer potential formulation is used. A family of coordinate systems on the body is introduced and an algorithm is presented to determine the optimal coordinate system. Numerical results verify that the optimal choice enables the solution to be computed with a grid that is coarse relative to the wavelength.
On a new semi-discrete integrable combination of Burgers and Sharma-Tasso-Olver equation

NASA Astrophysics Data System (ADS)

Zhao, Hai-qiong

2017-02-01

In this paper, a new semi-discrete integrable combination of Burgers and Sharma-Tasso-Olver equation is investigated. The underlying integrable structures like the Lax pair, the infinite number of conservation laws, the Darboux-Bäcklund transformation, and the solutions are presented in the explicit form. The theory of the semi-discrete equation including integrable properties yields the corresponding theory of the continuous counterpart in the continuous limit. Finally, numerical experiments are provided to demonstrate the effectiveness of the developed integrable semi-discretization algorithms.
Interpreting the Coulomb-field approximation for generalized-Born electrostatics using boundary-integral equation theory.

PubMed

Bardhan, Jaydeep P

2008-10-14

The importance of molecular electrostatic interactions in aqueous solution has motivated extensive research into physical models and numerical methods for their estimation. The computational costs associated with simulations that include many explicit water molecules have driven the development of implicit-solvent models, with generalized-Born (GB) models among the most popular of these. In this paper, we analyze a boundary-integral equation interpretation for the Coulomb-field approximation (CFA), which plays a central role in most GB models. This interpretation offers new insights into the nature of the CFA, which traditionally has been assessed using only a single point charge in the solute. The boundary-integral interpretation of the CFA allows the use of multiple point charges, or even continuous charge distributions, leading naturally to methods that eliminate the interpolation inaccuracies associated with the Still equation. This approach, which we call boundary-integral-based electrostatic estimation by the CFA (BIBEE/CFA), is most accurate when the molecular charge distribution generates a smooth normal displacement field at the solute-solvent boundary, and CFA-based GB methods perform similarly. Conversely, both methods are least accurate for charge distributions that give rise to rapidly varying or highly localized normal displacement fields. Supporting this analysis are comparisons of the reaction-potential matrices calculated using GB methods and boundary-element-method (BEM) simulations. An approximation similar to BIBEE/CFA exhibits complementary behavior, with superior accuracy for charge distributions that generate rapidly varying normal fields and poorer accuracy for distributions that produce smooth fields. This approximation, BIBEE by preconditioning (BIBEE/P), essentially generates initial guesses for preconditioned Krylov-subspace iterative BEMs. Thus, iterative refinement of the BIBEE/P results recovers the BEM solution; excellent agreement is obtained in only a few iterations. The boundary-integral-equation framework may also provide a means to derive rigorous results explaining how the empirical correction terms in many modern GB models significantly improve accuracy despite their simple analytical forms.
Large scale structure formation of the normal branch in the DGP brane world model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Yong-Seon

2008-06-15

In this paper, we study the large scale structure formation of the normal branch in the DGP model (Dvail, Gabadadze, and Porrati brane world model) by applying the scaling method developed by Sawicki, Song, and Hu for solving the coupled perturbed equations of motion of on-brane and off-brane. There is a detectable departure of perturbed gravitational potential from the cold dark matter model with vacuum energy even at the minimal deviation of the effective equation of state w{sub eff} below -1. The modified perturbed gravitational potential weakens the integrated Sachs-Wolfe effect which is strengthened in the self-accelerating branch DGP model.more » Additionally, we discuss the validity of the scaling solution in the de Sitter limit at late times.« less
Calculation of Moment Matrix Elements for Bilinear Quadrilaterals and Higher-Order Basis Functions

DTIC Science & Technology

2016-01-06

methods are known as boundary integral equation (BIE) methods and the present study falls into this category. The numerical solution of the BIE is...iterated integrals. The inner integral involves the product of the free-space Green’s function for the Helmholtz equation multiplied by an appropriate...Website: http://www.wipl-d.com/ 5. Y. Zhang and T. K. Sarkar, Parallel Solution of Integral Equation -Based EM Problems in the Frequency Domain. New
Modified Einstein and Navier-Stokes Equations

NASA Astrophysics Data System (ADS)

Bulyzhenkov, I. É.

2018-05-01

The appearance of inertial rest mass-energy is associated with the kinematic slowing-down of time and with the vortex state of the elementary massive space with zero integral of its kinetic and potential energies. An analog of the Einstein equation is found for moving densities of a non-empty metric space in the concept of the Einstein-Infeld material field. The vector consequences of this tensor equation for a metric medium of overlapping elementary carriers of continuous mass-energies allow us to modify the Navier-Stokes equation under inertial motion of the matter of the nonlocal field in the nonrelativistic limit. The nonlocality of massenergy generates kinematic accelerations of feedback to Newtonian acceleration, which impedes asymptotic divergence of energy fluxes. Stabilization of inertial media by dynamic Bernoulli pressure corresponds to nonlocal self-organization of Einstein-Infeld non-empty space and invalidates Newtonian localization of masses in empty space.
Modified Einstein and Navier–Stokes Equations

NASA Astrophysics Data System (ADS)

Bulyzhenkov, I. É.

2018-05-01

The appearance of inertial rest mass-energy is associated with the kinematic slowing-down of time and with the vortex state of the elementary massive space with zero integral of its kinetic and potential energies. An analog of the Einstein equation is found for moving densities of a non-empty metric space in the concept of the Einstein-Infeld material field. The vector consequences of this tensor equation for a metric medium of overlapping elementary carriers of continuous mass-energies allow us to modify the Navier-Stokes equation under inertial motion of the matter of the nonlocal field in the nonrelativistic limit. The nonlocality of massenergy generates kinematic accelerations of feedback to Newtonian acceleration, which impedes asymptotic divergence of energy fluxes. Stabilization of inertial media by dynamic Bernoulli pressure corresponds to nonlocal self-organization of Einstein-Infeld non-empty space and invalidates Newtonian localization of masses in empty space.
Properties of the two-dimensional heterogeneous Lennard-Jones dimers: An integral equation study

PubMed Central

Urbic, Tomaz

2016-01-01

Structural and thermodynamic properties of a planar heterogeneous soft dumbbell fluid are examined using Monte Carlo simulations and integral equation theory. Lennard-Jones particles of different sizes are the building blocks of the dimers. The site-site integral equation theory in two dimensions is used to calculate the site-site radial distribution functions and the thermodynamic properties. Obtained results are compared to Monte Carlo simulation data. The critical parameters for selected types of dimers were also estimated and the influence of the Lennard-Jones parameters was studied. We have also tested the correctness of the site-site integral equation theory using different closures. PMID:27875894
Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

NASA Astrophysics Data System (ADS)

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; Stocks, G. Malcolm

2018-03-01

The Green function plays an essential role in the Korringa-Kohn-Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn-Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). The pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. By using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.
Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Xianglin; Wang, Yang; Eisenbach, Markus

The Green function plays an essential role in the Korringa–Kohn–Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn–Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). Themore » pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. Here, by using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.« less
Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

DOE PAGES

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; ...

2017-10-28

The Green function plays an essential role in the Korringa–Kohn–Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn–Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). Themore » pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. Here, by using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.« less
Universal and integrable nonlinear evolution systems of equations in 2+1 dimensions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maccari, A.

1997-08-01

Integrable systems of nonlinear partial differential equations (PDEs) are obtained from integrable equations in 2+1 dimensions, by means of a reduction method of broad applicability based on Fourier expansion and spatio{endash}temporal rescalings, which is asymptotically exact in the limit of weak nonlinearity. The integrability by the spectral transform is explicitly demonstrated, because the corresponding Lax pairs have been derived, applying the same reduction method to the Lax pair of the initial equation. These systems of nonlinear PDEs are likely to be of applicative relevance and have a {open_quotes}universal{close_quotes} character, inasmuch as they may be derived from a very large classmore » of nonlinear evolution equations with a linear dispersive part. {copyright} {ital 1997 American Institute of Physics.}« less
Spectral method for the static electric potential of a charge density in a composite medium

NASA Astrophysics Data System (ADS)

Bergman, David J.; Farhi, Asaf

2018-04-01

A spectral representation for the static electric potential field in a two-constituent composite medium is presented. A theory is developed for calculating the quasistatic eigenstates of Maxwell's equations for such a composite. The local physical potential field produced in the system by a given source charge density is expanded in this set of orthogonal eigenstates for any position r. The source charges can be located anywhere, i.e., inside any of the constituents. This is shown to work even if the eigenfunctions are normalized in an infinite volume. If the microstructure consists of a cluster of separate inclusions in a uniform host medium, then the quasistatic eigenstates of all the separate isolated inclusions can be used to calculate the eigenstates of the total structure as well as the local potential field. Once the eigenstates are known for a given host and a given microstructure, then calculation of the local field only involves calculating three-dimensional integrals of known functions and solving sets of linear algebraic equations.

On the thermodynamic framework of generalized coupled thermoelastic-viscoplastic-damage modeling

NASA Technical Reports Server (NTRS)

Arnold, S. M.; Saleeb, A. F.

1991-01-01

A complete potential based framework using internal state variables is put forth for the derivation of reversible and irreversible constitutive equations. In this framework, the existence of the total (integrated) form of either the (Helmholtz) free energy or the (Gibbs) complementary free energy are assumed a priori. Two options for describing the flow and evolutionary equations are described, wherein option one (the fully coupled form) is shown to be over restrictive while the second option (the decoupled form) provides significant flexibility. As a consequence of the decoupled form, a new operator, i.e., the Compliance operator, is defined which provides a link between the assumed Gibb's and complementary dissipation potential and ensures a number of desirable numerical features, for example the symmetry of the resulting consistent tangent stiffness matrix. An important conclusion reached, is that although many theories in the literature do not conform to the general potential framework outlined, it is still possible in some cases, by slight modifications of the used forms, to restore the complete potential structure.
A new numerical approach to solve Thomas-Fermi model of an atom using bio-inspired heuristics integrated with sequential quadratic programming.

PubMed

Raja, Muhammad Asif Zahoor; Zameer, Aneela; Khan, Aziz Ullah; Wazwaz, Abdul Majid

2016-01-01

In this study, a novel bio-inspired computing approach is developed to analyze the dynamics of nonlinear singular Thomas-Fermi equation (TFE) arising in potential and charge density models of an atom by exploiting the strength of finite difference scheme (FDS) for discretization and optimization through genetic algorithms (GAs) hybrid with sequential quadratic programming. The FDS procedures are used to transform the TFE differential equations into a system of nonlinear equations. A fitness function is constructed based on the residual error of constituent equations in the mean square sense and is formulated as the minimization problem. Optimization of parameters for the system is carried out with GAs, used as a tool for viable global search integrated with SQP algorithm for rapid refinement of the results. The design scheme is applied to solve TFE for five different scenarios by taking various step sizes and different input intervals. Comparison of the proposed results with the state of the art numerical and analytical solutions reveals that the worth of our scheme in terms of accuracy and convergence. The reliability and effectiveness of the proposed scheme are validated through consistently getting optimal values of statistical performance indices calculated for a sufficiently large number of independent runs to establish its significance.
A new multi-domain method based on an analytical control surface for linear and second-order mean drift wave loads on floating bodies

NASA Astrophysics Data System (ADS)

Liang, Hui; Chen, Xiaobo

2017-10-01

A novel multi-domain method based on an analytical control surface is proposed by combining the use of free-surface Green function and Rankine source function. A cylindrical control surface is introduced to subdivide the fluid domain into external and internal domains. Unlike the traditional domain decomposition strategy or multi-block method, the control surface here is not panelized, on which the velocity potential and normal velocity components are analytically expressed as a series of base functions composed of Laguerre function in vertical coordinate and Fourier series in the circumference. Free-surface Green function is applied in the external domain, and the boundary integral equation is constructed on the control surface in the sense of Galerkin collocation via integrating test functions orthogonal to base functions over the control surface. The external solution gives rise to the so-called Dirichlet-to-Neumann [DN2] and Neumann-to-Dirichlet [ND2] relations on the control surface. Irregular frequencies, which are only dependent on the radius of the control surface, are present in the external solution, and they are removed by extending the boundary integral equation to the interior free surface (circular disc) on which the null normal derivative of potential is imposed, and the dipole distribution is expressed as Fourier-Bessel expansion on the disc. In the internal domain, where the Rankine source function is adopted, new boundary integral equations are formulated. The point collocation is imposed over the body surface and free surface, while the collocation of the Galerkin type is applied on the control surface. The present method is valid in the computation of both linear and second-order mean drift wave loads. Furthermore, the second-order mean drift force based on the middle-field formulation can be calculated analytically by using the coefficients of the Fourier-Laguerre expansion.
Comparison of various methods for mathematical analysis of the Foucault knife edge test pattern to determine optical imperfections

NASA Technical Reports Server (NTRS)

Gatewood, B. E.

1971-01-01

The linearized integral equation for the Foucault test of a solid mirror was solved by various methods: power series, Fourier series, collocation, iteration, and inversion integral. The case of the Cassegrain mirror was solved by a particular power series method, collocation, and inversion integral. The inversion integral method appears to be the best overall method for both the solid and Cassegrain mirrors. Certain particular types of power series and Fourier series are satisfactory for the Cassegrain mirror. Numerical integration of the nonlinear equation for selected surface imperfections showed that results start to deviate from those given by the linearized equation at a surface deviation of about 3 percent of the wavelength of light. Several possible procedures for calibrating and scaling the input data for the integral equation are described.
Green function of the double-fractional Fokker-Planck equation: path integral and stochastic differential equations.

PubMed

Kleinert, H; Zatloukal, V

2013-11-01

The statistics of rare events, the so-called black-swan events, is governed by non-Gaussian distributions with heavy power-like tails. We calculate the Green functions of the associated Fokker-Planck equations and solve the related stochastic differential equations. We also discuss the subject in the framework of path integration.
Localization of the eigenvalues of linear integral equations with applications to linear ordinary differential equations.

NASA Technical Reports Server (NTRS)

Sloss, J. M.; Kranzler, S. K.

1972-01-01

The equivalence of a considered integral equation form with an infinite system of linear equations is proved, and the localization of the eigenvalues of the infinite system is expressed. Error estimates are derived, and the problems of finding upper bounds and lower bounds for the eigenvalues are solved simultaneously.
Finite-volume spectra of the Lee-Yang model

NASA Astrophysics Data System (ADS)

Bajnok, Zoltan; el Deeb, Omar; Pearce, Paul A.

2015-04-01

We consider the non-unitary Lee-Yang minimal model in three different finite geometries: (i) on the interval with integrable boundary conditions labelled by the Kac labels ( r, s) = (1 , 1) , (1 , 2), (ii) on the circle with periodic boundary conditions and (iii) on the periodic circle including an integrable purely transmitting defect. We apply φ 1,3 integrable perturbations on the boundary and on the defect and describe the flow of the spectrum. Adding a Φ1,3 integrable perturbation to move off-criticality in the bulk, we determine the finite size spectrum of the massive scattering theory in the three geometries via Thermodynamic Bethe Ansatz (TBA) equations. We derive these integral equations for all excitations by solving, in the continuum scaling limit, the TBA functional equations satisfied by the transfer matrices of the associated A 4 RSOS lattice model of Forrester and Baxter in Regime III. The excitations are classified in terms of ( m, n) systems. The excited state TBA equations agree with the previously conjectured equations in the boundary and periodic cases. In the defect case, new TBA equations confirm previously conjectured transmission factors.
The Green's matrix and the boundary integral equations for analysis of time-harmonic dynamics of elastic helical springs.

PubMed

Sorokin, Sergey V

2011-03-01

Helical springs serve as vibration isolators in virtually any suspension system. Various exact and approximate methods may be employed to determine the eigenfrequencies of vibrations of these structural elements and their dynamic transfer functions. The method of boundary integral equations is a meaningful alternative to obtain exact solutions of problems of the time-harmonic dynamics of elastic springs in the framework of Bernoulli-Euler beam theory. In this paper, the derivations of the Green's matrix, of the Somigliana's identities, and of the boundary integral equations are presented. The vibrational power transmission in an infinitely long spring is analyzed by means of the Green's matrix. The eigenfrequencies and the dynamic transfer functions are found by solving the boundary integral equations. In the course of analysis, the essential features and advantages of the method of boundary integral equations are highlighted. The reported analytical results may be used to study the time-harmonic motion in any wave guide governed by a system of linear differential equations in a single spatial coordinate along its axis. © 2011 Acoustical Society of America
Computation of molecular vibrational frequencies using anomalous harmoniclike potentials.

PubMed

Li, Xiangzhu; Paldus, Josef

2009-07-28

The instabilities of Hartree-Fock (HF) solutions at or near the equilibrium geometry of symmetric molecular species imply the existence of broken-symmetry solutions having a lower energy than the corresponding symmetry-adapted ones. Moreover, the distortion of the nuclear framework along the normal modes that are implied by such broken-symmetry solutions results in an anomalous or even singular behavior in the corresponding cuts of the potential energy surface (PES). Using such HF solutions as a reference, these anomalies propagate to a post-HF level and make it impossible to determine reliable harmonic or fundamental vibrational frequencies for such modes by relying on either numerical or analytical differentiation of the PES, requiring instead a numerical integration of the Schrodinger equation for the nuclear motion. This, in turn, requires a detailed knowledge on the PES in a wide range of geometries, necessitating a computation of the potential energy function in a large number of points. We present an alternative approach to this problem, referred to as the integral averaging method (IAM), which facilitates this task by significantly reducing the number of geometries for which one has to compute the potential energy while yielding results of practically the same accuracy as the solution of the Schrodinger equation. The IAM is applied to several ABA-type triatomics and to the allyl radical, whose asymmetric stretching mode potential suffers from an anomalous behavior due to the spin-preserving instabilities in restricted open-shell HF solutions.
Molecular dynamics studies of transport properties and equation of state of supercritical fluids

NASA Astrophysics Data System (ADS)

Nwobi, Obika C.

Many chemical propulsion systems operate with one or more of the reactants above the critical point in order to enhance their performance. Most of the computational fluid dynamics (CFD) methods used to predict these flows require accurate information on the transport properties and equation of state at these supercritical conditions. This work involves the determination of transport coefficients and equation of state of supercritical fluids by equilibrium molecular dynamics (MD) simulations on parallel computers using the Green-Kubo formulae and the virial equation of state, respectively. MD involves the solution of equations of motion of a system of molecules that interact with each other through an intermolecular potential. Provided that an accurate potential can be found for the system of interest, MD can be used regardless of the phase and thermodynamic conditions of the substances involved. The MD program uses the effective Lennard-Jones potential, with system sizes of 1000-1200 molecules and, simulations of 2,000,000 time-steps for computing transport coefficients and 200,000 time-steps for pressures. The computer code also uses linked cell lists for efficient sorting of molecules, periodic boundary conditions, and a modified velocity Verlet algorithm for particle displacement. Particle decomposition is used for distributing the molecules to different processors of a parallel computer. Simulations have been carried out on pure argon, nitrogen, oxygen and ethylene at various supercritical conditions, with self-diffusion coefficients, shear viscosity coefficients, thermal conductivity coefficients and pressures computed for most of the conditions. Results compare well with experimental and the National Institute of Standards and Technology (NIST) values. The results show that the number of molecules and the potential cut-off radius have no significant effect on the computed coefficients, while long-time integration is necessary for accurate determination of the coefficients.
Nonzero solutions of nonlinear integral equations modeling infectious disease

DOE Office of Scientific and Technical Information (OSTI.GOV)

Williams, L.R.; Leggett, R.W.

1982-01-01

Sufficient conditions to insure the existence of periodic solutions to the nonlinear integral equation, x(t) = ..integral../sup t//sub t-tau/f(s,x(s))ds, are given in terms of simple product and product integral inequalities. The equation can be interpreted as a model for the spread of infectious diseases (e.g., gonorrhea or any of the rhinovirus viruses) if x(t) is the proportion of infectives at time t and f(t,x(t)) is the proportion of new infectives per unit time.
Numerical integration of asymptotic solutions of ordinary differential equations

NASA Technical Reports Server (NTRS)

Thurston, Gaylen A.

1989-01-01

Classical asymptotic analysis of ordinary differential equations derives approximate solutions that are numerically stable. However, the analysis also leads to tedious expansions in powers of the relevant parameter for a particular problem. The expansions are replaced with integrals that can be evaluated by numerical integration. The resulting numerical solutions retain the linear independence that is the main advantage of asymptotic solutions. Examples, including the Falkner-Skan equation from laminar boundary layer theory, illustrate the method of asymptotic analysis with numerical integration.
Multistep integration formulas for the numerical integration of the satellite problem

NASA Technical Reports Server (NTRS)

Lundberg, J. B.; Tapley, B. D.

1981-01-01

The use of two Class 2/fixed mesh/fixed order/multistep integration packages of the PECE type for the numerical integration of the second order, nonlinear, ordinary differential equation of the satellite orbit problem. These two methods are referred to as the general and the second sum formulations. The derivation of the basic equations which characterize each formulation and the role of the basic equations in the PECE algorithm are discussed. Possible starting procedures are examined which may be used to supply the initial set of values required by the fixed mesh/multistep integrators. The results of the general and second sum integrators are compared to the results of various fixed step and variable step integrators.
Direct linearizing transform for three-dimensional discrete integrable systems: the lattice AKP, BKP and CKP equations.

PubMed

Fu, Wei; Nijhoff, Frank W

2017-07-01

A unified framework is presented for the solution structure of three-dimensional discrete integrable systems, including the lattice AKP, BKP and CKP equations. This is done through the so-called direct linearizing transform, which establishes a general class of integral transforms between solutions. As a particular application, novel soliton-type solutions for the lattice CKP equation are obtained.
Integrability of the Kruskal--Zabusky Discrete Equation by Multiscale Expansion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Levi, Decio; Scimiterna, Christian

2010-03-08

In 1965 Kruskal and Zabusky in a very famous article in Physical Review Letters introduced the notion of 'soliton' to describe the interaction of solitary waves solutions of the Korteweg de Vries equation (KdV). To do so they introduced a discrete approximation to the KdV, the Kruskal-Zabusky equation (KZ). Here we analyze the KZ equation using the multiscale expansion and show that the equation is only A{sub 2} integrable.
Integrability and Poisson Structures of Three Dimensional Dynamical Systems and Equations of Hydrodynamic Type

NASA Astrophysics Data System (ADS)

Gumral, Hasan

Poisson structure of completely integrable 3 dimensional dynamical systems can be defined in terms of an integrable 1-form. We take advantage of this fact and use the theory of foliations in discussing the geometrical structure underlying complete and partial integrability. We show that the Halphen system can be formulated in terms of a flat SL(2,R)-valued connection and belongs to a non-trivial Godbillon-Vey class. On the other hand, for the Euler top and a special case of 3-species Lotka-Volterra equations which are contained in the Halphen system as limiting cases, this structure degenerates into the form of globally integrable bi-Hamiltonian structures. The globally integrable bi-Hamiltonian case is a linear and the sl_2 structure is a quadratic unfolding of an integrable 1-form in 3 + 1 dimensions. We complete the discussion of the Hamiltonian structure of 2-component equations of hydrodynamic type by presenting the Hamiltonian operators for Euler's equation and a continuum limit of Toda lattice. We present further infinite sequences of conserved quantities for shallow water equations and show that their generalizations by Kodama admit bi-Hamiltonian structure. We present a simple way of constructing the second Hamiltonian operators for N-component equations admitting some scaling properties. The Kodama reduction of the dispersionless-Boussinesq equations and the Lax reduction of the Benney moment equations are shown to be equivalent by a symmetry transformation. They can be cast into the form of a triplet of conservation laws which enable us to recognize a non-trivial scaling symmetry. The resulting bi-Hamiltonian structure generates three infinite sequences of conserved densities.
Atomic Physics Effects on Convergent, Child-Langmuir Ion Flow between Nearly Transparent Electrodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Santarius, John F.; Emmert, Gilbert A.

Research during this project at the University of Wisconsin Fusion Technology Institute (UW FTI) on ion and neutral flow through an arbitrary, monotonic potential difference created by nearly transparent electrodes accomplished the following: (1) developed and implemented an integral equation approach for atomic physics effects in helium plasmas; (2) extended the analysis to coupled integral equations that treat atomic and molecular deuterium ions and neutrals; (3) implemented the key deuterium and helium atomic and molecular cross sections; (4) added negative ion production and related cross sections; and (5) benchmarked the code against experimental results. The analysis and codes treat themore » species D0, D20, D+, D2+, D3+, D and, separately at present, He0 and He+. Extensions enhanced the analysis and related computer codes to include He++ ions plus planar and cylindrical geometries.« less
Rapid analysis of scattering from periodic dielectric structures using accelerated Cartesian expansions.

PubMed

Baczewski, Andrew D; Miller, Nicholas C; Shanker, Balasubramaniam

2012-04-01

The analysis of fields in periodic dielectric structures arise in numerous applications of recent interest, ranging from photonic bandgap structures and plasmonically active nanostructures to metamaterials. To achieve an accurate representation of the fields in these structures using numerical methods, dense spatial discretization is required. This, in turn, affects the cost of analysis, particularly for integral-equation-based methods, for which traditional iterative methods require O(N2) operations, N being the number of spatial degrees of freedom. In this paper, we introduce a method for the rapid solution of volumetric electric field integral equations used in the analysis of doubly periodic dielectric structures. The crux of our method is the accelerated Cartesian expansion algorithm, which is used to evaluate the requisite potentials in O(N) cost. Results are provided that corroborate our claims of acceleration without compromising accuracy, as well as the application of our method to a number of compelling photonics applications.
Time-dependent integral equations of neutron transport for calculating the kinetics of nuclear reactors by the Monte Carlo method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davidenko, V. D., E-mail: Davidenko-VD@nrcki.ru; Zinchenko, A. S., E-mail: zin-sn@mail.ru; Harchenko, I. K.

2016-12-15

Integral equations for the shape functions in the adiabatic, quasi-static, and improved quasi-static approximations are presented. The approach to solving these equations by the Monte Carlo method is described.
Two-dimensional interaction of a shear flow with a free surface in a stratified fluid and its solitary-wave solutions via mathematical methods

NASA Astrophysics Data System (ADS)

Seadawy, Aly R.

2017-12-01

In this study, we presented the problem formulations of models for internal solitary waves in a stratified shear flow with a free surface. The nonlinear higher order of extended KdV equations for the free surface displacement is generated. We derived the coefficients of the nonlinear higher-order extended KdV equation in terms of integrals of the modal function for the linear long-wave theory. The wave amplitude potential and the fluid pressure of the extended KdV equation in the form of solitary-wave solutions are deduced. We discussed and analyzed the stability of the obtained solutions and the movement role of the waves by making graphs of the exact solutions.

Theoretical study of interactions of BSA protein in a NaCl aqueous solution

NASA Astrophysics Data System (ADS)

Pellicane, Giuseppe; Cavero, Miguel

2013-03-01

Bovine Serum Albumine (BSA) aqueous solutions in the presence of NaCl are investigated for different protein concentrations and low to intermediate ionic strengths. Protein interactions are modeled via a charge-screened colloidal model, in which the range of the potential is determined by the Debye-Hückel constant. We use Monte Carlo computer simulations to calculate the structure factor, and assume an oblate ellipsoidal form factor for BSA. The theoretical scattered intensities are found in good agreement with the experimental small angle X-ray scattering intensities available in the literature. The performance of well-known integral equation closures to the Ornstein-Zernike equation, namely the mean spherical approximation, the Percus-Yevick, and the hypernetted chain equations, is also assessed with respect to computer simulation.
On the solution of integral equations with strongly singular kernels

NASA Technical Reports Server (NTRS)

Kaya, A. C.; Erdogan, F.

1986-01-01

Some useful formulas are developed to evaluate integrals having a singularity of the form (t-x) sup-m ,m greater than or equal 1. Interpreting the integrals with strong singularities in Hadamard sense, the results are used to obtain approximate solutions of singular integral equations. A mixed boundary value problem from the theory of elasticity is considered as an example. Particularly for integral equations where the kernel contains, in addition to the dominant term (t-x) sup -m , terms which become unbounded at the end points, the present technique appears to be extremely effective to obtain rapidly converging numerical results.
On the solution of integral equations with strong ly singular kernels

NASA Technical Reports Server (NTRS)

Kaya, A. C.; Erdogan, F.

1985-01-01

In this paper some useful formulas are developed to evaluate integrals having a singularity of the form (t-x) sup-m, m or = 1. Interpreting the integrals with strong singularities in Hadamard sense, the results are used to obtain approximate solutions of singular integral equations. A mixed boundary value problem from the theory of elasticity is considered as an example. Particularly for integral equations where the kernel contains, in addition to the dominant term (t,x) sup-m, terms which become unbounded at the end points, the present technique appears to be extremely effective to obtain rapidly converging numerical results.
On the solution of integral equations with strongly singular kernels

NASA Technical Reports Server (NTRS)

Kaya, A. C.; Erdogan, F.

1987-01-01

Some useful formulas are developed to evaluate integrals having a singularity of the form (t-x) sup-m, m greater than or equal 1. Interpreting the integrals with strong singularities in Hadamard sense, the results are used to obtain approximate solutions of singular integral equations. A mixed boundary value problem from the theory of elasticity is considered as an example. Particularly for integral equations where the kernel contains, in addition to the dominant term (t-x) sup-m, terms which become unbounded at the end points, the present technique appears to be extremely effective to obtain rapidly converging numerical results.
A new method for extending solutions to the self-similar relativistic magnetohydrodynamic equations for black hole outflows

NASA Astrophysics Data System (ADS)

Ceccobello, C.; Cavecchi, Y.; Heemskerk, M. H. M.; Markoff, S.; Polko, P.; Meier, D.

2018-02-01

The paradigm in which magnetic fields play a crucial role in launching/collimating outflows in many astrophysical objects continues to gain support. However, semi-analytical models including the effect of magnetic fields on the dynamics and morphology of jets are still missing due to the intrinsic difficulties in integrating the equations describing a collimated, relativistic flow in the presence of gravity. Only few solutions have been found so far, due to the highly non-linear character of the equations together with the need to blindly search for singularities. These numerical problems prevented a full exploration of the parameter space. We present a new integration scheme to solve r-self-similar, stationary, axisymmetric magnetohydrodynamic (MHD) equations describing collimated, relativistic outflows crossing smoothly all the singular points (Alfvén point and modified slow/fast points). For the first time, we are able to integrate from the disc mid-plane to downstream of the modified fast point. We discuss an ensemble of jet solutions, emphasizing trends and features that can be compared to observables. We present, for the first time with a semi-analytical MHD model, solutions showing counter-rotation of the jet for a substantial fraction of its extent. We find diverse jet configurations with bulk Lorentz factors up to 10 and potential sites for recollimation between 103 and 107 gravitational radii. Such extended coverage of the intervals of quantities, such as magnetic-to-thermal energy ratios at the base or the heights/widths of the recollimation region, makes our solutions suitable for application to many different systems where jets are launched.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Urbic, Tomaz, E-mail: tomaz.urbic@fkkt.uni-lj.si; Dias, Cristiano L.

The thermodynamic and structural properties of the planar soft-sites dumbbell fluid are examined by Monte Carlo simulations and integral equation theory. The dimers are built of two Lennard-Jones segments. Site-site integral equation theory in two dimensions is used to calculate the site-site radial distribution functions for a range of elongations and densities and the results are compared with Monte Carlo simulations. The critical parameters for selected types of dimers were also estimated. We analyze the influence of the bond length on critical point as well as tested correctness of site-site integral equation theory with different closures. The integral equations canmore » be used to predict the phase diagram of dimers whose molecular parameters are known.« less
Numerical techniques in radiative heat transfer for general, scattering, plane-parallel media

NASA Technical Reports Server (NTRS)

Sharma, A.; Cogley, A. C.

1982-01-01

The study of radiative heat transfer with scattering usually leads to the solution of singular Fredholm integral equations. The present paper presents an accurate and efficient numerical method to solve certain integral equations that govern radiative equilibrium problems in plane-parallel geometry for both grey and nongrey, anisotropically scattering media. In particular, the nongrey problem is represented by a spectral integral of a system of nonlinear integral equations in space, which has not been solved previously. The numerical technique is constructed to handle this unique nongrey governing equation as well as the difficulties caused by singular kernels. Example problems are solved and the method's accuracy and computational speed are analyzed.
Generalization of Boundary-Layer Momentum-Integral Equations to Three-Dimensional Flows Including Those of Rotating System

NASA Technical Reports Server (NTRS)

Mager, Arthur

1952-01-01

The Navier-Stokes equations of motion and the equation of continuity are transformed so as to apply to an orthogonal curvilinear coordinate system rotating with a uniform angular velocity about an arbitrary axis in space. A usual simplification of these equations as consistent with the accepted boundary-layer theory and an integration of these equations through the boundary layer result in boundary-layer momentum-integral equations for three-dimensional flows that are applicable to either rotating or nonrotating fluid boundaries. These equations are simplified and an approximate solution in closed integral form is obtained for a generalized boundary-layer momentum-loss thickness and flow deflection at the wall in the turbulent case. A numerical evaluation of this solution carried out for data obtained in a curving nonrotating duct shows a fair quantitative agreement with the measures values. The form in which the equations are presented is readily adaptable to cases of steady, three-dimensional, incompressible boundary-layer flow like that over curved ducts or yawed wings; and it also may be used to describe the boundary-layer flow over various rotating surfaces, thus applying to turbomachinery, propellers, and helicopter blades.
Generalized Thomas-Fermi equations as the Lampariello class of Emden-Fowler equations

NASA Astrophysics Data System (ADS)

Rosu, Haret C.; Mancas, Stefan C.

2017-04-01

A one-parameter family of Emden-Fowler equations defined by Lampariello's parameter p which, upon using Thomas-Fermi boundary conditions, turns into a set of generalized Thomas-Fermi equations comprising the standard Thomas-Fermi equation for p = 1 is studied in this paper. The entire family is shown to be non integrable by reduction to the corresponding Abel equations whose invariants do not satisfy a known integrability condition. We also discuss the equivalent dynamical system of equations for the standard Thomas-Fermi equation and perform its phase-plane analysis. The results of the latter analysis are similar for the whole class.
Evaluation of atomic pressure in the multiple time-step integration algorithm.

PubMed

Andoh, Yoshimichi; Yoshii, Noriyuki; Yamada, Atsushi; Okazaki, Susumu

2017-04-15

In molecular dynamics (MD) calculations, reduction in calculation time per MD loop is essential. A multiple time-step (MTS) integration algorithm, the RESPA (Tuckerman and Berne, J. Chem. Phys. 1992, 97, 1990-2001), enables reductions in calculation time by decreasing the frequency of time-consuming long-range interaction calculations. However, the RESPA MTS algorithm involves uncertainties in evaluating the atomic interaction-based pressure (i.e., atomic pressure) of systems with and without holonomic constraints. It is not clear which intermediate forces and constraint forces in the MTS integration procedure should be used to calculate the atomic pressure. In this article, we propose a series of equations to evaluate the atomic pressure in the RESPA MTS integration procedure on the basis of its equivalence to the Velocity-Verlet integration procedure with a single time step (STS). The equations guarantee time-reversibility even for the system with holonomic constrants. Furthermore, we generalize the equations to both (i) arbitrary number of inner time steps and (ii) arbitrary number of force components (RESPA levels). The atomic pressure calculated by our equations with the MTS integration shows excellent agreement with the reference value with the STS, whereas pressures calculated using the conventional ad hoc equations deviated from it. Our equations can be extended straightforwardly to the MTS integration algorithm for the isothermal NVT and isothermal-isobaric NPT ensembles. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Unified method to integrate and blend several, potentially related, sources of information for genetic evaluation.

PubMed

Vandenplas, Jérémie; Colinet, Frederic G; Gengler, Nicolas

2014-09-30

A condition to predict unbiased estimated breeding values by best linear unbiased prediction is to use simultaneously all available data. However, this condition is not often fully met. For example, in dairy cattle, internal (i.e. local) populations lead to evaluations based only on internal records while widely used foreign sires have been selected using internally unavailable external records. In such cases, internal genetic evaluations may be less accurate and biased. Because external records are unavailable, methods were developed to combine external information that summarizes these records, i.e. external estimated breeding values and associated reliabilities, with internal records to improve accuracy of internal genetic evaluations. Two issues of these methods concern double-counting of contributions due to relationships and due to records. These issues could be worse if external information came from several evaluations, at least partially based on the same records, and combined into a single internal evaluation. Based on a Bayesian approach, the aim of this research was to develop a unified method to integrate and blend simultaneously several sources of information into an internal genetic evaluation by avoiding double-counting of contributions due to relationships and due to records. This research resulted in equations that integrate and blend simultaneously several sources of information and avoid double-counting of contributions due to relationships and due to records. The performance of the developed equations was evaluated using simulated and real datasets. The results showed that the developed equations integrated and blended several sources of information well into a genetic evaluation. The developed equations also avoided double-counting of contributions due to relationships and due to records. Furthermore, because all available external sources of information were correctly propagated, relatives of external animals benefited from the integrated information and, therefore, more reliable estimated breeding values were obtained. The proposed unified method integrated and blended several sources of information well into a genetic evaluation by avoiding double-counting of contributions due to relationships and due to records. The unified method can also be extended to other types of situations such as single-step genomic or multi-trait evaluations, combining information across different traits.
Kinetic electron model for plasma thruster plumes

NASA Astrophysics Data System (ADS)

Merino, Mario; Mauriño, Javier; Ahedo, Eduardo

2018-03-01

A paraxial model of an unmagnetized, collisionless plasma plume expanding into vacuum is presented. Electrons are treated kinetically, relying on the adiabatic invariance of their radial action integral for the integration of Vlasov's equation, whereas ions are treated as a cold species. The quasi-2D plasma density, self-consistent electric potential, and electron pressure, temperature, and heat fluxes are analyzed. In particular, the model yields the collisionless cooling of electrons, which differs from the Boltzmann relation and the simple polytropic laws usually employed in fluid and hybrid PIC/fluid plume codes.
Some Exact Solutions of a Nonintegrable Toda-type Equation

NASA Astrophysics Data System (ADS)

Kim, Chanju

2018-05-01

We study a Toda-type equation with two scalar fields which is not integrable and construct two families of exact solutions which are expressed in terms of rational functions. The equation appears in U(1) Chern-Simons theories coupled to two nonrelativistic matter fields with opposite charges. One family of solutions is a trivial embedding of Liouville-type solutions. The other family is obtained by transforming the equation into the Taubes vortex equation on the hyperbolic space. Though the Taubes equation is not integrable, a trivial vacuum solution provides nontrivial solutions to the original Toda-type equation.
An Extension of the Krieger-Li-Iafrate Approximation to the Optimized-Effective-Potential Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilson, B.G.

1999-11-11

The Krieger-Li-Iafrate approximation can be expressed as the zeroth order result of an unstable iterative method for solving the integral equation form of the optimized-effective-potential method. By pre-conditioning the iterate a first order correction can be obtained which recovers the bulk of quantal oscillations missing in the zeroth order approximation. A comparison of calculated total energies are given with Krieger-Li-Iafrate, Local Density Functional, and Hyper-Hartree-Fock results for non-relativistic atoms and ions.
Painlevé equations, elliptic integrals and elementary functions

NASA Astrophysics Data System (ADS)

Żołądek, Henryk; Filipuk, Galina

2015-02-01

The six Painlevé equations can be written in the Hamiltonian form, with time dependent Hamilton functions. We present a rather new approach to this result, leading to rational Hamilton functions. By a natural extension of the phase space one gets corresponding autonomous Hamiltonian systems with two degrees of freedom. We realize the Bäcklund transformations of the Painlevé equations as symplectic birational transformations in C4 and we interpret the cases with classical solutions as the cases of partial integrability of the extended Hamiltonian systems. We prove that the extended Hamiltonian systems do not have any additional algebraic first integral besides the known special cases of the third and fifth Painlevé equations. We also show that the original Painlevé equations admit the first integrals expressed in terms of the elementary functions only in the special cases mentioned above. In the proofs we use equations in variations with respect to a parameter and Liouville's theory of elementary functions.
Darboux points and integrability of homogeneous Hamiltonian systems with three and more degrees of freedom. Nongeneric cases

NASA Astrophysics Data System (ADS)

Przybylska, M.

2009-06-01

In this paper the problem of classification of integrable natural Hamiltonian systems with n degrees of freedom given by a Hamilton function, which is the sum of the standard kinetic energy and a homogeneous polynomial potential V of degree k > 2, is investigated. It is assumed that the potential is not generic. Except for some particular cases a potential V is not generic if it admits a nonzero solution of equation V'( d) = 0. The existence of such a solution gives very strong integrability obstructions obtained in the frame of the Morales-Ramis theory. This theory also gives additional integrability obstructions which have the form of restrictions imposed on the eigenvalues ( λ 1, …, λ n ) of the Hessian matrix V″( d) calculated at a nonzero d ∈ ℂ n satisfying V'( d) = d. In our previous work we showed that for generic potentials some universal relations between ( λ 1, …, λ n ) calculated at various solutions of V' ( d) = d exist. These relations allow one to prove that the number of potentials satisfying the necessary conditions for the integrability is finite. The main aim of this paper was to show that relations of such forms also exist for nongeneric potentials. We show their existence and derive them for the case n = k = 3 applying the multivariable residue calculus. We demonstrate the strength of the results analyzing in details the nongeneric cases for n = k = 3. Our analysis covers all the possibilities and we distinguish those cases where known methods are too weak to decide if the potential is integrable or not. Moreover, for n = k = 3, thanks to this analysis, a three-parameter family of potentials integrable or superintegrable with additional polynomial first integrals which seemingly can be of an arbitrarily high degree with respect to the momenta was distinguished.
Macroscopic Quantum-Type Potentials in Theoretical Systems Biology

PubMed Central

Nottale, Laurent

2014-01-01

We review in this paper the use of the theory of scale relativity and fractal space-time as a tool particularly well adapted to the possible development of a future genuine systems theoretical biology. We emphasize in particular the concept of quantum-type potentials, since, in many situations, the effect of the fractality of space—or of the underlying medium—can be reduced to the addition of such a potential energy to the classical equations of motion. Various equivalent representations—geodesic, quantum-like, fluid mechanical, stochastic—of these equations are given, as well as several forms of generalized quantum potentials. Examples of their possible intervention in high critical temperature superconductivity and in turbulence are also described, since some biological processes may be similar in some aspects to these physical phenomena. These potential extra energy contributions could have emerged in biology from the very fractal nature of the medium, or from an evolutive advantage, since they involve spontaneous properties of self-organization, morphogenesis, structuration and multi-scale integration. Finally, some examples of applications of the theory to actual biological-like processes and functions are also provided. PMID:24709901
Numerical solution of boundary-integral equations for molecular electrostatics.

PubMed

Bardhan, Jaydeep P

2009-03-07

Numerous molecular processes, such as ion permeation through channel proteins, are governed by relatively small changes in energetics. As a result, theoretical investigations of these processes require accurate numerical methods. In the present paper, we evaluate the accuracy of two approaches to simulating boundary-integral equations for continuum models of the electrostatics of solvation. The analysis emphasizes boundary-element method simulations of the integral-equation formulation known as the apparent-surface-charge (ASC) method or polarizable-continuum model (PCM). In many numerical implementations of the ASC/PCM model, one forces the integral equation to be satisfied exactly at a set of discrete points on the boundary. We demonstrate in this paper that this approach to discretization, known as point collocation, is significantly less accurate than an alternative approach known as qualocation. Furthermore, the qualocation method offers this improvement in accuracy without increasing simulation time. Numerical examples demonstrate that electrostatic part of the solvation free energy, when calculated using the collocation and qualocation methods, can differ significantly; for a polypeptide, the answers can differ by as much as 10 kcal/mol (approximately 4% of the total electrostatic contribution to solvation). The applicability of the qualocation discretization to other integral-equation formulations is also discussed, and two equivalences between integral-equation methods are derived.
A nodal domain theorem for integrable billiards in two dimensions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samajdar, Rhine; Jain, Sudhir R., E-mail: srjain@barc.gov.in

Eigenfunctions of integrable planar billiards are studied — in particular, the number of nodal domains, ν of the eigenfunctions with Dirichlet boundary conditions are considered. The billiards for which the time-independent Schrödinger equation (Helmholtz equation) is separable admit trivial expressions for the number of domains. Here, we discover that for all separable and non-separable integrable billiards, ν satisfies certain difference equations. This has been possible because the eigenfunctions can be classified in families labelled by the same value of mmodkn, given a particular k, for a set of quantum numbers, m,n. Further, we observe that the patterns in a familymore » are similar and the algebraic representation of the geometrical nodal patterns is found. Instances of this representation are explained in detail to understand the beauty of the patterns. This paper therefore presents a mathematical connection between integrable systems and difference equations. - Highlights: • We find that the number of nodal domains of eigenfunctions of integrable, planar billiards satisfy a class of difference equations. • The eigenfunctions labelled by quantum numbers (m,n) can be classified in terms of mmodkn. • A theorem is presented, realising algebraic representations of geometrical patterns exhibited by the domains. • This work presents a connection between integrable systems and difference equations.« less
Oblique scattering from radially inhomogeneous dielectric cylinders: An exact Volterra integral equation formulation

NASA Astrophysics Data System (ADS)

Tsalamengas, John L.

2018-07-01

We study plane-wave electromagnetic scattering by radially and strongly inhomogeneous dielectric cylinders at oblique incidence. The method of analysis relies on an exact reformulation of the underlying field equations as a first-order 4 × 4 system of differential equations and on the ability to restate the associated initial-value problem in the form of a system of coupled linear Volterra integral equations of the second kind. The integral equations so derived are discretized via a sophisticated variant of the Nyström method. The proposed method yields results accurate up to machine precision without relying on approximations. Numerical results and case studies ably demonstrate the efficiency and high accuracy of the algorithms.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakatsuji, Hiroshi, E-mail: h.nakatsuji@qcri.or.jp; Nakashima, Hiroyuki

The free-complement (FC) method is a general method for solving the Schrödinger equation (SE): The produced wave function has the potentially exact structure as the solution of the Schrödinger equation. The variables included are determined either by using the variational principle (FC-VP) or by imposing the local Schrödinger equations (FC-LSE) at the chosen set of the sampling points. The latter method, referred to as the local Schrödinger equation (LSE) method, is integral-free and therefore applicable to any atom and molecule. The purpose of this paper is to formulate the basic theories of the LSE method and explain their basic features.more » First, we formulate three variants of the LSE method, the AB, HS, and H{sup T}Q methods, and explain their properties. Then, the natures of the LSE methods are clarified in some detail using the simple examples of the hydrogen atom and the Hooke’s atom. Finally, the ideas obtained in this study are applied to solving the SE of the helium atom highly accurately with the FC-LSE method. The results are very encouraging: we could get the world’s most accurate energy of the helium atom within the sampling-type methodologies, which is comparable to those obtained with the FC-VP method. Thus, the FC-LSE method is an easy and yet a powerful integral-free method for solving the Schrödinger equation of general atoms and molecules.« less
Multiscale Multiphysics and Multidomain Models I: Basic Theory

PubMed Central

Wei, Guo-Wei

2013-01-01

This work extends our earlier two-domain formulation of a differential geometry based multiscale paradigm into a multidomain theory, which endows us the ability to simultaneously accommodate multiphysical descriptions of aqueous chemical, physical and biological systems, such as fuel cells, solar cells, nanofluidics, ion channels, viruses, RNA polymerases, molecular motors and large macromolecular complexes. The essential idea is to make use of the differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain of solvent from the microscopic domain of solute, and dynamically couple continuum and discrete descriptions. Our main strategy is to construct energy functionals to put on an equal footing of multiphysics, including polar (i.e., electrostatic) solvation, nonpolar solvation, chemical potential, quantum mechanics, fluid mechanics, molecular mechanics, coarse grained dynamics and elastic dynamics. The variational principle is applied to the energy functionals to derive desirable governing equations, such as multidomain Laplace-Beltrami (LB) equations for macromolecular morphologies, multidomain Poisson-Boltzmann (PB) equation or Poisson equation for electrostatic potential, generalized Nernst-Planck (NP) equations for the dynamics of charged solvent species, generalized Navier-Stokes (NS) equation for fluid dynamics, generalized Newton's equations for molecular dynamics (MD) or coarse-grained dynamics and equation of motion for elastic dynamics. Unlike the classical PB equation, our PB equation is an integral-differential equation due to solvent-solute interactions. To illustrate the proposed formalism, we have explicitly constructed three models, a multidomain solvation model, a multidomain charge transport model and a multidomain chemo-electro-fluid-MD-elastic model. Each solute domain is equipped with distinct surface tension, pressure, dielectric function, and charge density distribution. In addition to long-range Coulombic interactions, various non-electrostatic solvent-solute interactions are considered in the present modeling. We demonstrate the consistency between the non-equilibrium charge transport model and the equilibrium solvation model by showing the systematical reduction of the former to the latter at equilibrium. This paper also offers a brief review of the field. PMID:25382892
Multiscale Multiphysics and Multidomain Models I: Basic Theory.

PubMed

Wei, Guo-Wei

2013-12-01

This work extends our earlier two-domain formulation of a differential geometry based multiscale paradigm into a multidomain theory, which endows us the ability to simultaneously accommodate multiphysical descriptions of aqueous chemical, physical and biological systems, such as fuel cells, solar cells, nanofluidics, ion channels, viruses, RNA polymerases, molecular motors and large macromolecular complexes. The essential idea is to make use of the differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain of solvent from the microscopic domain of solute, and dynamically couple continuum and discrete descriptions. Our main strategy is to construct energy functionals to put on an equal footing of multiphysics, including polar (i.e., electrostatic) solvation, nonpolar solvation, chemical potential, quantum mechanics, fluid mechanics, molecular mechanics, coarse grained dynamics and elastic dynamics. The variational principle is applied to the energy functionals to derive desirable governing equations, such as multidomain Laplace-Beltrami (LB) equations for macromolecular morphologies, multidomain Poisson-Boltzmann (PB) equation or Poisson equation for electrostatic potential, generalized Nernst-Planck (NP) equations for the dynamics of charged solvent species, generalized Navier-Stokes (NS) equation for fluid dynamics, generalized Newton's equations for molecular dynamics (MD) or coarse-grained dynamics and equation of motion for elastic dynamics. Unlike the classical PB equation, our PB equation is an integral-differential equation due to solvent-solute interactions. To illustrate the proposed formalism, we have explicitly constructed three models, a multidomain solvation model, a multidomain charge transport model and a multidomain chemo-electro-fluid-MD-elastic model. Each solute domain is equipped with distinct surface tension, pressure, dielectric function, and charge density distribution. In addition to long-range Coulombic interactions, various non-electrostatic solvent-solute interactions are considered in the present modeling. We demonstrate the consistency between the non-equilibrium charge transport model and the equilibrium solvation model by showing the systematical reduction of the former to the latter at equilibrium. This paper also offers a brief review of the field.
Constant fields and constant gradients in open ionic channels.

PubMed Central

Chen, D P; Barcilon, V; Eisenberg, R S

1992-01-01

Ions enter cells through pores in proteins that are holes in dielectrics. The energy of interaction between ion and charge induced on the dielectric is many kT, and so the dielectric properties of channel and pore are important. We describe ionic movement by (three-dimensional) Nemst-Planck equations (including flux and net charge). Potential is described by Poisson's equation in the pore and Laplace's equation in the channel wall, allowing induced but not permanent charge. Asymptotic expansions are constructed exploiting the long narrow shape of the pore and the relatively high dielectric constant of the pore's contents. The resulting one-dimensional equations can be integrated numerically; they can be analyzed when channels are short or long (compared with the Debye length). Traditional constant field equations are derived if the induced charge is small, e.g., if the channel is short or if the total concentration gradient is zero. A constant gradient of concentration is derived if the channel is long. Plots directly comparable to experiments are given of current vs voltage, reversal potential vs. concentration, and slope conductance vs. concentration. This dielectric theory can easily be tested: its parameters can be determined by traditional constant field measurements. The dielectric theory then predicts current-voltage relations quite different from constant field, usually more linear, when gradients of total concentration are imposed. Numerical analysis shows that the interaction of ion and channel can be described by a mean potential if, but only if, the induced charge is negligible, that is to say, the electric field is spatially constant. Images FIGURE 1 PMID:1376159
Physiomodel - an integrative physiology in Modelica.

PubMed

Matejak, Marek; Kofranek, Jiri

2015-08-01

Physiomodel (http://www.physiomodel.org) is our reimplementation and extension of an integrative physiological model called HumMod 1.6 (http://www.hummod.org) using our Physiolibrary (http://www.physiolibrary.org). The computer language Modelica is well-suited to exactly formalize integrative physiology. Modelica is an equation-based, and object-oriented language for hybrid ordinary differential equations (http:// www.modelica.org). Almost every physiological term can be defined as a class in this language and can be instantiated as many times as it occurs in the body. Each class has a graphical icon for use in diagrams. These diagrams are self-describing; the Modelica code generated from them is the full representation of the underlying mathematical model. Special Modelica constructs of physical connectors from Physiolibrary allow us to create diagrams that are analogies of electrical circuits with Kirchhoff's laws. As electric currents and electric potentials are connected in electrical domain, so are molar flows and concentrations in the chemical domain; volumetric flows and pressures in the hydraulic domain; flows of heat energy and temperatures in the thermal domain; and changes and amounts of members in the population domain.
Modeling erosion and sedimentation coupled with hydrological and overland flow processes at the watershed scale

NASA Astrophysics Data System (ADS)

Kim, Jongho; Ivanov, Valeriy Y.; Katopodes, Nikolaos D.

2013-09-01

A novel two-dimensional, physically based model of soil erosion and sediment transport coupled to models of hydrological and overland flow processes has been developed. The Hairsine-Rose formulation of erosion and deposition processes is used to account for size-selective sediment transport and differentiate bed material into original and deposited soil layers. The formulation is integrated within the framework of the hydrologic and hydrodynamic model tRIBS-OFM, Triangulated irregular network-based, Real-time Integrated Basin Simulator-Overland Flow Model. The integrated model explicitly couples the hydrodynamic formulation with the advection-dominated transport equations for sediment of multiple particle sizes. To solve the system of equations including both the Saint-Venant and the Hairsine-Rose equations, the finite volume method is employed based on Roe's approximate Riemann solver on an unstructured grid. The formulation yields space-time dynamics of flow, erosion, and sediment transport at fine scale. The integrated model has been successfully verified with analytical solutions and empirical data for two benchmark cases. Sensitivity tests to grid resolution and the number of used particle sizes have been carried out. The model has been validated at the catchment scale for the Lucky Hills watershed located in southeastern Arizona, USA, using 10 events for which catchment-scale streamflow and sediment yield data were available. Since the model is based on physical laws and explicitly uses multiple types of watershed information, satisfactory results were obtained. The spatial output has been analyzed and the driving role of topography in erosion processes has been discussed. It is expected that the integrated formulation of the model has the promise to reduce uncertainties associated with typical parameterizations of flow and erosion processes. A potential for more credible modeling of earth-surface processes is thus anticipated.
Wavelet-like bases for thin-wire integral equations in electromagnetics

NASA Astrophysics Data System (ADS)

Francomano, E.; Tortorici, A.; Toscano, E.; Ala, G.; Viola, F.

2005-03-01

In this paper, wavelets are used in solving, by the method of moments, a modified version of the thin-wire electric field integral equation, in frequency domain. The time domain electromagnetic quantities, are obtained by using the inverse discrete fast Fourier transform. The retarded scalar electric and vector magnetic potentials are employed in order to obtain the integral formulation. The discretized model generated by applying the direct method of moments via point-matching procedure, results in a linear system with a dense matrix which have to be solved for each frequency of the Fourier spectrum of the time domain impressed source. Therefore, orthogonal wavelet-like basis transform is used to sparsify the moment matrix. In particular, dyadic and M-band wavelet transforms have been adopted, so generating different sparse matrix structures. This leads to an efficient solution in solving the resulting sparse matrix equation. Moreover, a wavelet preconditioner is used to accelerate the convergence rate of the iterative solver employed. These numerical features are used in analyzing the transient behavior of a lightning protection system. In particular, the transient performance of the earth termination system of a lightning protection system or of the earth electrode of an electric power substation, during its operation is focused. The numerical results, obtained by running a complex structure, are discussed and the features of the used method are underlined.
Semi-implicit integration factor methods on sparse grids for high-dimensional systems

NASA Astrophysics Data System (ADS)

Wang, Dongyong; Chen, Weitao; Nie, Qing

2015-07-01

Numerical methods for partial differential equations in high-dimensional spaces are often limited by the curse of dimensionality. Though the sparse grid technique, based on a one-dimensional hierarchical basis through tensor products, is popular for handling challenges such as those associated with spatial discretization, the stability conditions on time step size due to temporal discretization, such as those associated with high-order derivatives in space and stiff reactions, remain. Here, we incorporate the sparse grids with the implicit integration factor method (IIF) that is advantageous in terms of stability conditions for systems containing stiff reactions and diffusions. We combine IIF, in which the reaction is treated implicitly and the diffusion is treated explicitly and exactly, with various sparse grid techniques based on the finite element and finite difference methods and a multi-level combination approach. The overall method is found to be efficient in terms of both storage and computational time for solving a wide range of PDEs in high dimensions. In particular, the IIF with the sparse grid combination technique is flexible and effective in solving systems that may include cross-derivatives and non-constant diffusion coefficients. Extensive numerical simulations in both linear and nonlinear systems in high dimensions, along with applications of diffusive logistic equations and Fokker-Planck equations, demonstrate the accuracy, efficiency, and robustness of the new methods, indicating potential broad applications of the sparse grid-based integration factor method.
The Reduction of Ducted Fan Engine Noise Via A Boundary Integral Equation Method

NASA Technical Reports Server (NTRS)

Tweed, J.; Dunn, M.

1997-01-01

The development of a Boundary Integral Equation Method (BIEM) for the prediction of ducted fan engine noise is discussed. The method is motivated by the need for an efficient and versatile computational tool to assist in parametric noise reduction studies. In this research, the work in reference 1 was extended to include passive noise control treatment on the duct interior. The BEM considers the scattering of incident sound generated by spinning point thrust dipoles in a uniform flow field by a thin cylindrical duct. The acoustic field is written as a superposition of spinning modes. Modal coefficients of acoustic pressure are calculated term by term. The BEM theoretical framework is based on Helmholtz potential theory. A boundary value problem is converted to a boundary integral equation formulation with unknown single and double layer densities on the duct wall. After solving for the unknown densities, the acoustic field is easily calculated. The main feature of the BIEM is the ability to compute any portion of the sound field without the need to compute the entire field. Other noise prediction methods such as CFD and Finite Element methods lack this property. Additional BIEM attributes include versatility, ease of use, rapid noise predictions, coupling of propagation and radiation both forward and aft, implementable on midrange personal computers, and valid over a wide range of frequencies.
Solving Ordinary Differential Equations

NASA Technical Reports Server (NTRS)

Krogh, F. T.

1987-01-01

Initial-value ordinary differential equation solution via variable order Adams method (SIVA/DIVA) package is collection of subroutines for solution of nonstiff ordinary differential equations. There are versions for single-precision and double-precision arithmetic. Requires fewer evaluations of derivatives than other variable-order Adams predictor/ corrector methods. Option for direct integration of second-order equations makes integration of trajectory problems significantly more efficient. Written in FORTRAN 77.
FAST TRACK COMMUNICATION: On the Liouvillian solution of second-order linear differential equations and algebraic invariant curves

NASA Astrophysics Data System (ADS)

Man, Yiu-Kwong

2010-10-01

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.
On randomized algorithms for numerical solution of applied Fredholm integral equations of the second kind

NASA Astrophysics Data System (ADS)

Voytishek, Anton V.; Shipilov, Nikolay M.

2017-11-01

In this paper, the systematization of numerical (implemented on a computer) randomized functional algorithms for approximation of a solution of Fredholm integral equation of the second kind is carried out. Wherein, three types of such algorithms are distinguished: the projection, the mesh and the projection-mesh methods. The possibilities for usage of these algorithms for solution of practically important problems is investigated in detail. The disadvantages of the mesh algorithms, related to the necessity of calculation values of the kernels of integral equations in fixed points, are identified. On practice, these kernels have integrated singularities, and calculation of their values is impossible. Thus, for applied problems, related to solving Fredholm integral equation of the second kind, it is expedient to use not mesh, but the projection and the projection-mesh randomized algorithms.
Initial-boundary value problems associated with the Ablowitz-Ladik system

NASA Astrophysics Data System (ADS)

Xia, Baoqiang; Fokas, A. S.

2018-02-01

We employ the Ablowitz-Ladik system as an illustrative example in order to demonstrate how to analyze initial-boundary value problems for integrable nonlinear differential-difference equations via the unified transform (Fokas method). In particular, we express the solutions of the integrable discrete nonlinear Schrödinger and integrable discrete modified Korteweg-de Vries equations in terms of the solutions of appropriate matrix Riemann-Hilbert problems. We also discuss in detail, for both the above discrete integrable equations, the associated global relations and the process of eliminating of the unknown boundary values.
Quasimodular instanton partition function and the elliptic solution of Korteweg-de Vries equations

NASA Astrophysics Data System (ADS)

He, Wei

2015-02-01

The Gauge/Bethe correspondence relates Omega-deformed N = 2 supersymmetric gauge theories to some quantum integrable models, in simple cases the integrable models can be treated as solvable quantum mechanics models. For SU(2) gauge theory with an adjoint matter, or with 4 fundamental matters, the potential of corresponding quantum model is the elliptic function. If the mass of matter takes special value then the potential is an elliptic solution of KdV hierarchy. We show that the deformed prepotential of gauge theory can be obtained from the average densities of conserved charges of the classical KdV solution, the UV gauge coupling dependence is assembled into the Eisenstein series. The gauge theory with adjoint mass is taken as the example.
Determination of the Geometric Form of a Plane of a Tectonic Gap as the Inverse III-posed Problem of Mathematical Physics

NASA Astrophysics Data System (ADS)

Sirota, Dmitry; Ivanov, Vadim

2017-11-01

Any mining operations influence stability of natural and technogenic massifs are the reason of emergence of the sources of differences of mechanical tension. These sources generate a quasistationary electric field with a Newtonian potential. The paper reviews the method of determining the shape and size of a flat source field with this kind of potential. This common problem meets in many fields of mining: geological exploration mineral resources, ore deposits, control of mining by underground method, determining coal self-heating source, localization of the rock crack's sources and other applied problems of practical physics. This problems are ill-posed and inverse and solved by converting to Fredholm-Uryson integral equation of the first kind. This equation will be solved by A.N. Tikhonov regularization method.
Simulation electromagnetic scattering on bodies through integral equation and neural networks methods

NASA Astrophysics Data System (ADS)

Lvovich, I. Ya; Preobrazhenskiy, A. P.; Choporov, O. N.

2018-05-01

The paper deals with the issue of electromagnetic scattering on a perfectly conducting diffractive body of a complex shape. Performance calculation of the body scattering is carried out through the integral equation method. Fredholm equation of the second time was used for calculating electric current density. While solving the integral equation through the moments method, the authors have properly described the core singularity. The authors determined piecewise constant functions as basic functions. The chosen equation was solved through the moments method. Within the Kirchhoff integral approach it is possible to define the scattered electromagnetic field, in some way related to obtained electrical currents. The observation angles sector belongs to the area of the front hemisphere of the diffractive body. To improve characteristics of the diffractive body, the authors used a neural network. All the neurons contained a logsigmoid activation function and weighted sums as discriminant functions. The paper presents the matrix of weighting factors of the connectionist model, as well as the results of the optimized dimensions of the diffractive body. The paper also presents some basic steps in calculation technique of the diffractive bodies, based on the combination of integral equation and neural networks methods.
Davidenko’s Method for the Solution of Nonlinear Operator Equations.

DTIC Science & Technology

NONLINEAR DIFFERENTIAL EQUATIONS, NUMERICAL INTEGRATION), OPERATORS(MATHEMATICS), BANACH SPACE , MAPPING (TRANSFORMATIONS), NUMERICAL METHODS AND PROCEDURES, INTEGRALS, SET THEORY, CONVERGENCE, MATRICES(MATHEMATICS)
Integrable Equations in Multi-Dimensions (2+1) are Bi-Hamiltonian Systems,

DTIC Science & Technology

1987-02-01

equation [18]. It should be noted that the 80 equation has more similarities [19] with the Kadomtsev - Petviashvili (KP...Cimento, 39B, 1 (1977). [31] P. Caudrey, Discrete and Periodic Spectral Transforms Related to the Kadomtsev - Petviashvili Equation , preprint U.M.I.S.T. (1985). II ’AI D p-I 4, - -- - -- - - -w 4 ...TOM NONLINEAR STUDIES IDTIC I IELEC )// MAR 2 51988 I / \\ / Integrable Equations in Multi- dimensions (2+1) are Bi-Hamiltonian Systems by A.S.
The non-autonomous YdKN equation and generalized symmetries of Boll equations

NASA Astrophysics Data System (ADS)

Gubbiotti, G.; Scimiterna, C.; Levi, D.

2017-05-01

In this paper, we study the integrability of a class of nonlinear non-autonomous quad graph equations compatible around the cube introduced by Boll in the framework of the generalized Adler, Bobenko, and Suris (ABS) classification. We show that all these equations possess three-point generalized symmetries which are subcases of either the Yamilov discretization of the Krichever-Novikov equation or of its non-autonomous extension. We also prove that all those symmetries are integrable as they pass the algebraic entropy test.
A Zonal Approach for the Solution of Coupled Euler and Potential Solutions of Flows with Complex Geometries.

DTIC Science & Technology

1987-06-01

obtained from: A simple numerical intergration scheme is employed to perform the integral in Equations (B2) and (86) along the dividing streamline. A 11 4...angle of attack was small, the dividing streamline remained almost horizontal in this case. Results of a higher angle of attack case, in which the mesh

GRUMFOIL: A computer code for the viscous transonic flow over airfoils

NASA Technical Reports Server (NTRS)

Mead, H. R.; Melnik, R. E.

1985-01-01

A user's manual which describes the operation of the computer program, GRUMFOIL is presented. The program computes the viscous transonic flow over two dimensional airfoils using a boundary layer type viscid-inviscid interaction approach. The inviscid solution is obtained by a multigrid method for the full potential equation. The boundary layer solution is based on integral entrainment methods.
Beyond blow-up in excitatory integrate and fire neuronal networks: Refractory period and spontaneous activity.

PubMed

Cáceres, María J; Perthame, Benoît

2014-06-07

The Network Noisy Leaky Integrate and Fire equation is among the simplest model allowing for a self-consistent description of neural networks and gives a rule to determine the probability to find a neuron at the potential v. However, its mathematical structure is still poorly understood and, concerning its solutions, very few results are available. In the midst of them, a recent result shows blow-up in finite time for fully excitatory networks. The intuitive explanation is that each firing neuron induces a discharge of the others; thus increases the activity and consequently the discharge rate of the full network. In order to better understand the details of the phenomena and show that the equation is more complex and fruitful than expected, we analyze further the model. We extend the finite time blow-up result to the case when neurons, after firing, enter a refractory state for a given period of time. We also show that spontaneous activity may occur when, additionally, randomness is included on the firing potential VF in regimes where blow-up occurs for a fixed value of VF. Copyright © 2014 Elsevier Ltd. All rights reserved.
Development and application of a local linearization algorithm for the integration of quaternion rate equations in real-time flight simulation problems

NASA Technical Reports Server (NTRS)

Barker, L. E., Jr.; Bowles, R. L.; Williams, L. H.

1973-01-01

High angular rates encountered in real-time flight simulation problems may require a more stable and accurate integration method than the classical methods normally used. A study was made to develop a general local linearization procedure of integrating dynamic system equations when using a digital computer in real-time. The procedure is specifically applied to the integration of the quaternion rate equations. For this application, results are compared to a classical second-order method. The local linearization approach is shown to have desirable stability characteristics and gives significant improvement in accuracy over the classical second-order integration methods.
Solving Simple Kinetics without Integrals

ERIC Educational Resources Information Center

de la Pen~a, Lisandro Herna´ndez

2016-01-01

The solution of simple kinetic equations is analyzed without referencing any topic from differential equations or integral calculus. Guided by the physical meaning of the rate equation, a systematic procedure is used to generate an approximate solution that converges uniformly to the exact solution in the case of zero, first, and second order…
Semi-empirical model for prediction of unsteady forces on an airfoil with application to flutter

NASA Technical Reports Server (NTRS)

Mahajan, Aparajit J.; Kaza, Krishna Rao V.

1992-01-01

A semi-empirical model is described for predicting unsteady aerodynamic forces on arbitrary airfoils under mildly stalled and unstalled conditions. Aerodynamic forces are modeled using second order ordinary differential equations for lift and moment with airfoil motion as the input. This model is simultaneously integrated with structural dynamics equations to determine flutter characteristics for a two degrees-of-freedom system. Results for a number of cases are presented to demonstrate the suitability of this model to predict flutter. Comparison is made to the flutter characteristics determined by a Navier-Stokes solver and also the classical incompressible potential flow theory.
Semi-empirical model for prediction of unsteady forces on an airfoil with application to flutter

NASA Technical Reports Server (NTRS)

Mahajan, A. J.; Kaza, K. R. V.; Dowell, E. H.

1993-01-01

A semi-empirical model is described for predicting unsteady aerodynamic forces on arbitrary airfoils under mildly stalled and unstalled conditions. Aerodynamic forces are modeled using second order ordinary differential equations for lift and moment with airfoil motion as the input. This model is simultaneously integrated with structural dynamics equations to determine flutter characteristics for a two degrees-of-freedom system. Results for a number of cases are presented to demonstrate the suitability of this model to predict flutter. Comparison is made to the flutter characteristics determined by a Navier-Stokes solver and also the classical incompressible potential flow theory.
Dressing method and quadratic bundles related to symmetric spaces. Vanishing boundary conditions

NASA Astrophysics Data System (ADS)

Valchev, T. I.

2016-02-01

We consider quadratic bundles related to Hermitian symmetric spaces of the type SU(m + n)/S(U(m) × U(n)). The simplest representative of the corresponding integrable hierarchy is given by a multi-component Kaup-Newell derivative nonlinear Schrödinger equation which serves as a motivational example for our general considerations. We extensively discuss how one can apply Zakharov-Shabat's dressing procedure to derive reflectionless potentials obeying zero boundary conditions. Those could be used for one to construct fast decaying solutions to any nonlinear equation belonging to the same hierarchy. One can distinguish between generic soliton type solutions and rational solutions.
Recent developments in rotary-wing aerodynamic theory

NASA Technical Reports Server (NTRS)

Johnson, W.

1986-01-01

Current progress in the computational analysis of rotary-wing flowfields is surveyed, and some typical results are presented in graphs. Topics examined include potential theory, rotating coordinate systems, lifting-surface theory (moving singularity, fixed wing, and rotary wing), panel methods (surface singularity representations, integral equations, and compressible flows), transonic theory (the small-disturbance equation), wake analysis (hovering rotor-wake models and transonic blade-vortex interaction), limitations on computational aerodynamics, and viscous-flow methods (dynamic-stall theories and lifting-line theory). It is suggested that the present algorithms and advanced computers make it possible to begin working toward the ultimate goal of turbulent Navier-Stokes calculations for an entire rotorcraft.
Voltera's Solution of the Wave Equation as Applied to Three-Dimensional Supersonic Airfoil Problems

NASA Technical Reports Server (NTRS)

Heslet, Max A; Lomax, Harvard; Jones, Arthur L

1947-01-01

A surface integral is developed which yields solutions of the linearized partial differential equation for supersonic flow. These solutions satisfy boundary conditions arising in wing theory. Particular applications of this general method are made, using acceleration potentials, to flat surfaces and to uniformly loaded lifting surfaces. Rectangular and trapezoidal plan forms are considered along with triangular forms adaptable to swept-forward and swept-back wings. The case of the triangular plan form in sideslip is also included. Emphasis is placed on the systematic application of the method to the lifting surfaces considered and on the possibility of further application.
Extended nonlinear Schrödinger equation with higher-order odd and even terms and its rogue wave solutions.

PubMed

Ankiewicz, Adrian; Wang, Yan; Wabnitz, Stefan; Akhmediev, Nail

2014-01-01

We consider an extended nonlinear Schrödinger equation with higher-order odd (third order) and even (fourth order) terms with variable coefficients. The resulting equation has soliton solutions and approximate rogue wave solutions. We present these solutions up to second order. Moreover, specific constraints on the parameters of higher-order terms provide integrability of the resulting equation, providing a corresponding Lax pair. Particular cases of this equation are the Hirota and the Lakshmanan-Porsezian-Daniel equations. The resulting integrable equation admits exact rogue wave solutions. In particular cases, mentioned above, these solutions are reduced to the rogue wave solutions of the corresponding equations.
Compacton solutions in a class of generalized fifth-order Korteweg-de Vries equations.

PubMed

Cooper, F; Hyman, J M; Khare, A

2001-08-01

Solitons play a fundamental role in the evolution of general initial data for quasilinear dispersive partial differential equations, such as the Korteweg-de Vries (KdV), nonlinear Schrödinger, and the Kadomtsev-Petviashvili equations. These integrable equations have linear dispersion and the solitons have infinite support. We have derived and investigate a new KdV-like Hamiltonian partial differential equation from a four-parameter Lagrangian where the nonlinear dispersion gives rise to solitons with compact support (compactons). The new equation does not seem to be integrable and only mass, momentum, and energy seem to be conserved; yet, the solitons display almost the same modal decompositions and structural stability observed in integrable partial differential equations. The compactons formed from arbitrary initial data, are nonlinearly self-stabilizing, and maintain their coherence after multiple collisions. The robustness of these compactons and the inapplicability of the inverse scattering tools, that worked so well for the KdV equation, make it clear that there is a fundamental mechanism underlying the processes beyond integrability. We have found explicit formulas for multiple classes of compact traveling wave solutions. When there are more than one compacton solution for a particular set of parameters, the wider compacton is the minimum of a reduced Hamiltonian and is the only one that is stable.
Shear and compression buckling analysis for anisotropic panels with centrally located elliptical cutouts

NASA Technical Reports Server (NTRS)

Britt, V. O.

1993-01-01

An approximate analysis for buckling of biaxial- and shear-loaded anisotropic panels with centrally located elliptical cutouts is presented in the present paper. The analysis is composed of two parts, a prebuckling analysis and a buckling analysis. The prebuckling solution is determined using Lekhnitskii's complex variable equations of plane elastostatics combined with a Laurent series approximation and a boundary collocation method. The buckling solution is obtained using the principle of minimum potential energy. A by-product of the minimum potential energy equation is an integral equation which is solved using Gaussian quadrature. Comparisons with documented experimental results and finite element analyses indicate that the approximate analysis accurately predicts the buckling loads of square biaxial- and shear-loaded panels having elliptical cutouts with major axes up to sixty percent of the panel width. Results of a parametric study are presented for shear- and compression-loaded rectangular anisotropic panels with elliptical cutouts. The effects of panel aspect ratio, cutout shape, cutout size, cutout orientation, laminate anisotropy, and combined loading on the buckling load are examined.
Discrete conservation properties for shallow water flows using mixed mimetic spectral elements

NASA Astrophysics Data System (ADS)

Lee, D.; Palha, A.; Gerritsma, M.

2018-03-01

A mixed mimetic spectral element method is applied to solve the rotating shallow water equations. The mixed method uses the recently developed spectral element histopolation functions, which exactly satisfy the fundamental theorem of calculus with respect to the standard Lagrange basis functions in one dimension. These are used to construct tensor product solution spaces which satisfy the generalized Stokes theorem, as well as the annihilation of the gradient operator by the curl and the curl by the divergence. This allows for the exact conservation of first order moments (mass, vorticity), as well as higher moments (energy, potential enstrophy), subject to the truncation error of the time stepping scheme. The continuity equation is solved in the strong form, such that mass conservation holds point wise, while the momentum equation is solved in the weak form such that vorticity is globally conserved. While mass, vorticity and energy conservation hold for any quadrature rule, potential enstrophy conservation is dependent on exact spatial integration. The method possesses a weak form statement of geostrophic balance due to the compatible nature of the solution spaces and arbitrarily high order spatial error convergence.
Integral equation approach to time-dependent kinematic dynamos in finite domains

NASA Astrophysics Data System (ADS)

Xu, Mingtian; Stefani, Frank; Gerbeth, Gunter

2004-11-01

The homogeneous dynamo effect is at the root of cosmic magnetic field generation. With only a very few exceptions, the numerical treatment of homogeneous dynamos is carried out in the framework of the differential equation approach. The present paper tries to facilitate the use of integral equations in dynamo research. Apart from the pedagogical value to illustrate dynamo action within the well-known picture of the Biot-Savart law, the integral equation approach has a number of practical advantages. The first advantage is its proven numerical robustness and stability. The second and perhaps most important advantage is its applicability to dynamos in arbitrary geometries. The third advantage is its intimate connection to inverse problems relevant not only for dynamos but also for technical applications of magnetohydrodynamics. The paper provides the first general formulation and application of the integral equation approach to time-dependent kinematic dynamos, with stationary dynamo sources, in finite domains. The time dependence is restricted to the magnetic field, whereas the velocity or corresponding mean-field sources of dynamo action are supposed to be stationary. For the spherically symmetric α2 dynamo model it is shown how the general formulation is reduced to a coupled system of two radial integral equations for the defining scalars of the poloidal and toroidal field components. The integral equation formulation for spherical dynamos with general stationary velocity fields is also derived. Two numerical examples—the α2 dynamo model with radially varying α and the Bullard-Gellman model—illustrate the equivalence of the approach with the usual differential equation method. The main advantage of the method is exemplified by the treatment of an α2 dynamo in rectangular domains.
Discovery of a general method of solving the Schrödinger and dirac equations that opens a way to accurately predictive quantum chemistry.

PubMed

Nakatsuji, Hiroshi

2012-09-18

Just as Newtonian law governs classical physics, the Schrödinger equation (SE) and the relativistic Dirac equation (DE) rule the world of chemistry. So, if we can solve these equations accurately, we can use computation to predict chemistry precisely. However, for approximately 80 years after the discovery of these equations, chemists believed that they could not solve SE and DE for atoms and molecules that included many electrons. This Account reviews ideas developed over the past decade to further the goal of predictive quantum chemistry. Between 2000 and 2005, I discovered a general method of solving the SE and DE accurately. As a first inspiration, I formulated the structure of the exact wave function of the SE in a compact mathematical form. The explicit inclusion of the exact wave function's structure within the variational space allows for the calculation of the exact wave function as a solution of the variational method. Although this process sounds almost impossible, it is indeed possible, and I have published several formulations and applied them to solve the full configuration interaction (CI) with a very small number of variables. However, when I examined analytical solutions for atoms and molecules, the Hamiltonian integrals in their secular equations diverged. This singularity problem occurred in all atoms and molecules because it originates from the singularity of the Coulomb potential in their Hamiltonians. To overcome this problem, I first introduced the inverse SE and then the scaled SE. The latter simpler idea led to immediate and surprisingly accurate solution for the SEs of the hydrogen atom, helium atom, and hydrogen molecule. The free complement (FC) method, also called the free iterative CI (free ICI) method, was efficient for solving the SEs. In the FC method, the basis functions that span the exact wave function are produced by the Hamiltonian of the system and the zeroth-order wave function. These basis functions are called complement functions because they are the elements of the complete functions for the system under consideration. We extended this idea to solve the relativistic DE and applied it to the hydrogen and helium atoms, without observing any problems such as variational collapse. Thereafter, we obtained very accurate solutions of the SE for the ground and excited states of the Born-Oppenheimer (BO) and non-BO states of very small systems like He, H(2)(+), H(2), and their analogues. For larger systems, however, the overlap and Hamiltonian integrals over the complement functions are not always known mathematically (integration difficulty); therefore we formulated the local SE (LSE) method as an integral-free method. Without any integration, the LSE method gave fairly accurate energies and wave functions for small atoms and molecules. We also calculated continuous potential curves of the ground and excited states of small diatomic molecules by introducing the transferable local sampling method. Although the FC-LSE method is simple, the achievement of chemical accuracy in the absolute energy of larger systems remains time-consuming. The development of more efficient methods for the calculations of ordinary molecules would allow researchers to make these calculations more easily.
A boundary integral approach to the scattering of nonplanar acoustic waves by rigid bodies

NASA Technical Reports Server (NTRS)

Gallman, Judith M.; Myers, M. K.; Farassat, F.

1990-01-01

The acoustic scattering of an incident wave by a rigid body can be described by a singular Fredholm integral equation of the second kind. This equation is derived by solving the wave equation using generalized function theory, Green's function for the wave equation in unbounded space, and the acoustic boundary condition for a perfectly rigid body. This paper will discuss the derivation of the wave equation, its reformulation as a boundary integral equation, and the solution of the integral equation by the Galerkin method. The accuracy of the Galerkin method can be assessed by applying the technique outlined in the paper to reproduce the known pressure fields that are due to various point sources. From the analysis of these simpler cases, the accuracy of the Galerkin solution can be inferred for the scattered pressure field caused by the incidence of a dipole field on a rigid sphere. The solution by the Galerkin technique can then be applied to such problems as a dipole model of a propeller whose pressure field is incident on a rigid cylinder. This is the groundwork for modeling the scattering of rotating blade noise by airplane fuselages.
Finite element formulation of fluctuating hydrodynamics for fluids filled with rigid particles using boundary fitted meshes

DOE Office of Scientific and Technical Information (OSTI.GOV)

De Corato, M., E-mail: marco.decorato@unina.it; Slot, J.J.M., E-mail: j.j.m.slot@tue.nl; Hütter, M., E-mail: m.huetter@tue.nl

In this paper, we present a finite element implementation of fluctuating hydrodynamics with a moving boundary fitted mesh for treating the suspended particles. The thermal fluctuations are incorporated into the continuum equations using the Landau and Lifshitz approach [1]. The proposed implementation fulfills the fluctuation–dissipation theorem exactly at the discrete level. Since we restrict the equations to the creeping flow case, this takes the form of a relation between the diffusion coefficient matrix and friction matrix both at the particle and nodal level of the finite elements. Brownian motion of arbitrarily shaped particles in complex confinements can be considered withinmore » the present formulation. A multi-step time integration scheme is developed to correctly capture the drift term required in the stochastic differential equation (SDE) describing the evolution of the positions of the particles. The proposed approach is validated by simulating the Brownian motion of a sphere between two parallel plates and the motion of a spherical particle in a cylindrical cavity. The time integration algorithm and the fluctuating hydrodynamics implementation are then applied to study the diffusion and the equilibrium probability distribution of a confined circle under an external harmonic potential.« less
Microscopic theory of linear light scattering from mesoscopic media and in near-field optics.

PubMed

Keller, Ole

2005-08-01

On the basis of quantum mechanical response theory a microscopic propagator theory of linear light scattering from mesoscopic systems is presented. The central integral equation problem is transferred to a matrix equation problem by discretization in transitions between pairs of (many-body) energy eigenstates. The local-field calculation which appears from this approach is valid down to the microscopic region. Previous theories based on the (macroscopic) dielectric constant concept make use of spatial (geometrical) discretization and cannot in general be trusted on the mesoscopic length scale. The present theory can be applied to light scattering studies in near-field optics. After a brief discussion of the macroscopic integral equation problem a microscopic potential description of the scattering process is established. In combination with the use of microscopic electromagnetic propagators the formalism allows one to make contact to the macroscopic theory of light scattering and to the spatial photon localization problem. The quantum structure of the microscopic conductivity response tensor enables one to establish a clear physical picture of the origin of local-field phenomena in mesoscopic and near-field optics. The Huygens scalar propagator formalism is revisited and its generality in microscopic physics pointed out.
Almost analytical Karhunen-Loeve representation of irregular waves based on the prolate spheroidal wave functions

NASA Astrophysics Data System (ADS)

Lee, Gibbeum; Cho, Yeunwoo

2017-11-01

We present an almost analytical new approach to solving the matrix eigenvalue problem or the integral equation in Karhunen-Loeve (K-L) representation of random data such as irregular ocean waves. Instead of solving this matrix eigenvalue problem purely numerically, which may suffer from the computational inaccuracy for big data, first, we consider a pair of integral and differential equations, which are related to the so-called prolate spheroidal wave functions (PSWF). For the PSWF differential equation, the pair of the eigenvectors (PSWF) and eigenvalues can be obtained from a relatively small number of analytical Legendre functions. Then, the eigenvalues in the PSWF integral equation are expressed in terms of functional values of the PSWF and the eigenvalues of the PSWF differential equation. Finally, the analytically expressed PSWFs and the eigenvalues in the PWSF integral equation are used to form the kernel matrix in the K-L integral equation for the representation of exemplary wave data; ordinary irregular waves and rogue waves. We found that the present almost analytical method is better than the conventional data-independent Fourier representation and, also, the conventional direct numerical K-L representation in terms of both accuracy and computational cost. This work was supported by the National Research Foundation of Korea (NRF). (NRF-2017R1D1A1B03028299).
On an example of a system of differential equations that are integrated in Abelian functions

NASA Astrophysics Data System (ADS)

Malykh, M. D.; Sevastianov, L. A.

2017-12-01

The short review of the theory of Abelian functions and its applications in mechanics and analytical theory of differential equations is given. We think that Abelian functions are the natural generalization of commonly used functions because if the general solution of the 2nd order differential equation depends algebraically on the constants of integration, then integrating this equation does not lead out of the realm of commonly used functions complemented by the Abelian functions (Painlevé theorem). We present a relatively simple example of a dynamical system that is integrated in Abelian integrals by “pairing” two copies of a hyperelliptic curve. Unfortunately, initially simple formulas unfold into very long ones. Apparently the theory of Abelian functions hasn’t been finished in the last century because without computer algebra systems it was impossible to complete the calculations to the end. All calculations presented in our report are performed in Sage.

GENERIC Integrators: Structure Preserving Time Integration for Thermodynamic Systems

NASA Astrophysics Data System (ADS)

Öttinger, Hans Christian

2018-04-01

Thermodynamically admissible evolution equations for non-equilibrium systems are known to possess a distinct mathematical structure. Within the GENERIC (general equation for the non-equilibrium reversible-irreversible coupling) framework of non-equilibrium thermodynamics, which is based on continuous time evolution, we investigate the possibility of preserving all the structural elements in time-discretized equations. Our approach, which follows Moser's [1] construction of symplectic integrators for Hamiltonian systems, is illustrated for the damped harmonic oscillator. Alternative approaches are sketched.
Algorithms For Integrating Nonlinear Differential Equations

NASA Technical Reports Server (NTRS)

Freed, A. D.; Walker, K. P.

1994-01-01

Improved algorithms developed for use in numerical integration of systems of nonhomogenous, nonlinear, first-order, ordinary differential equations. In comparison with integration algorithms, these algorithms offer greater stability and accuracy. Several asymptotically correct, thereby enabling retention of stability and accuracy when large increments of independent variable used. Accuracies attainable demonstrated by applying them to systems of nonlinear, first-order, differential equations that arise in study of viscoplastic behavior, spread of acquired immune-deficiency syndrome (AIDS) virus and predator/prey populations.
Solving differential equations for Feynman integrals by expansions near singular points

NASA Astrophysics Data System (ADS)

Lee, Roman N.; Smirnov, Alexander V.; Smirnov, Vladimir A.

2018-03-01

We describe a strategy to solve differential equations for Feynman integrals by powers series expansions near singular points and to obtain high precision results for the corresponding master integrals. We consider Feynman integrals with two scales, i.e. non-trivially depending on one variable. The corresponding algorithm is oriented at situations where canonical form of the differential equations is impossible. We provide a computer code constructed with the help of our algorithm for a simple example of four-loop generalized sunset integrals with three equal non-zero masses and two zero masses. Our code gives values of the master integrals at any given point on the real axis with a required accuracy and a given order of expansion in the regularization parameter ɛ.
A GPU-accelerated semi-implicit fractional step method for numerical solutions of incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Ha, Sanghyun; Park, Junshin; You, Donghyun

2017-11-01

Utility of the computational power of modern Graphics Processing Units (GPUs) is elaborated for solutions of incompressible Navier-Stokes equations which are integrated using a semi-implicit fractional-step method. Due to its serial and bandwidth-bound nature, the present choice of numerical methods is considered to be a good candidate for evaluating the potential of GPUs for solving Navier-Stokes equations using non-explicit time integration. An efficient algorithm is presented for GPU acceleration of the Alternating Direction Implicit (ADI) and the Fourier-transform-based direct solution method used in the semi-implicit fractional-step method. OpenMP is employed for concurrent collection of turbulence statistics on a CPU while Navier-Stokes equations are computed on a GPU. Extension to multiple NVIDIA GPUs is implemented using NVLink supported by the Pascal architecture. Performance of the present method is experimented on multiple Tesla P100 GPUs compared with a single-core Xeon E5-2650 v4 CPU in simulations of boundary-layer flow over a flat plate. Supported by the National Research Foundation of Korea (NRF) Grant funded by the Korea government (Ministry of Science, ICT and Future Planning NRF-2016R1E1A2A01939553, NRF-2014R1A2A1A11049599, and Ministry of Trade, Industry and Energy 201611101000230).
Effects of using a posteriori methods for the conservation of integral invariants. [for weather forecasting

NASA Technical Reports Server (NTRS)

Takacs, Lawrence L.

1988-01-01

The nature and effect of using a posteriori adjustments to nonconservative finite-difference schemes to enforce integral invariants of the corresponding analytic system are examined. The method of a posteriori integral constraint restoration is analyzed for the case of linear advection, and the harmonic response associated with the a posteriori adjustments is examined in detail. The conservative properties of the shallow water system are reviewed, and the constraint restoration algorithm applied to the shallow water equations are described. A comparison is made between forecasts obtained using implicit and a posteriori methods for the conservation of mass, energy, and potential enstrophy in the complete nonlinear shallow-water system.
An accurate method for evaluating the kernel of the integral equation relating lift to downwash in unsteady potential flow

NASA Technical Reports Server (NTRS)

Desmarais, R. N.

1982-01-01

The method is capable of generating approximations of arbitrary accuracy. It is based on approximating the algebraic part of the nonelementary integrals in the kernel by exponential functions and then integrating termwise. The exponent spacing in the approximation is a geometric sequence. The coefficients and exponent multiplier of the exponential approximation are computed by least squares so the method is completely automated. Exponential approximates generated in this manner are two orders of magnitude more accurate than the exponential approximation that is currently most often used for this purpose. The method can be used to generate approximations to attain any desired trade-off between accuracy and computing cost.
Spent coffee enhanced biomethane potential via an integrated hydrothermal carbonization-anaerobic digestion process.

PubMed

Codignole Luz, Fábio; Volpe, Maurizio; Fiori, Luca; Manni, Alessandro; Cordiner, Stefano; Mulone, Vincenzo; Rocco, Vittorio

2018-05-01

This study reports the implications of using spent coffee hydrochar as substrate for anaerobic digestion (AD) processes. Three different spent coffee hydrochars produced at 180, 220 and 250 °C, 1 h residence time, were investigated for their biomethane potential in AD process inoculated with cow manure. Spent coffee hydrochars were characterized in terms of ultimate, proximate and higher heating value (HHV), and their theoretical bio-methane yield evaluated using Boyle-Buswell equation and compared to the experimental values. The results were then analyzed using the modified Gompertz equation to determine the main AD evolution parameters. Different hydrochar properties were related to AD process performances. AD of spent coffee hydrochars produced at 180 °C showed the highest biomethane production rate (46 mL CH 4 /gVS . d), a biomethane potential of 491 mL/gVS (AD lasting 25 days), and a biomethane gas daily composition of about 70%. Copyright © 2018 Elsevier Ltd. All rights reserved.
Contact interaction of thin-walled elements with an elastic layer and an infinite circular cylinder under torsion

NASA Astrophysics Data System (ADS)

Kanetsyan, E. G.; Mkrtchyan, M. S.; Mkhitaryan, S. M.

2018-04-01

We consider a class of contact torsion problems on interaction of thin-walled elements shaped as an elastic thin washer – a flat circular plate of small height – with an elastic layer, in particular, with a half-space, and on interaction of thin cylindrical shells with a solid elastic cylinder, infinite in both directions. The governing equations of the physical models of elastic thin washers and thin circular cylindrical shells under torsion are derived from the exact equations of mathematical theory of elasticity using the Hankel and Fourier transforms. Within the framework of the accepted physical models, the solution of the contact problem between an elastic washer and an elastic layer is reduced to solving the Fredholm integral equation of the first kind with a kernel representable as a sum of the Weber–Sonin integral and some integral regular kernel, while solving the contact problem between a cylindrical shell and solid cylinder is reduced to a singular integral equation (SIE). An effective method for solving the governing integral equations of these problems are specified.
Comparison of numerical techniques for integration of stiff ordinary differential equations arising in combustion chemistry

NASA Technical Reports Server (NTRS)

Radhakrishnan, K.

1984-01-01

The efficiency and accuracy of several algorithms recently developed for the efficient numerical integration of stiff ordinary differential equations are compared. The methods examined include two general-purpose codes, EPISODE and LSODE, and three codes (CHEMEQ, CREK1D, and GCKP84) developed specifically to integrate chemical kinetic rate equations. The codes are applied to two test problems drawn from combustion kinetics. The comparisons show that LSODE is the fastest code currently available for the integration of combustion kinetic rate equations. An important finding is that an interactive solution of the algebraic energy conservation equation to compute the temperature does not result in significant errors. In addition, this method is more efficient than evaluating the temperature by integrating its time derivative. Significant reductions in computational work are realized by updating the rate constants (k = at(supra N) N exp(-E/RT) only when the temperature change exceeds an amount delta T that is problem dependent. An approximate expression for the automatic evaluation of delta T is derived and is shown to result in increased efficiency.
Comment on: Accurate and fast numerical solution of Poisson s equation for arbitrary, space-filling Voronoi polyhedra: Near-field corrections revisited

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gonis, Antonios; Zhang, Xiaoguang

2012-01-01

This is a comment on the paper by Aftab Alam, Brian G. Wilson, and D. D. Johnson [1], proposing the solution of the near-field corrections (NFC s) problem for the Poisson equation for extended, e.g., space filling, charge densities. We point out that the problem considered by the authors can be simply avoided by means of performing certain integrals in a particular order, while their method does not address the genuine problem of NFC s that arises when the solution of the Poisson equation is attempted within multiple scattering theory. We also point out a flaw in their line ofmore » reasoning leading to the expression for the potential inside the bounding sphere of a cell that makes it inapplicable to certain geometries.« less
Mathematical modelling of the destruction degree of cancer under the influence of a RF hyperthermia

NASA Astrophysics Data System (ADS)

Paruch, Marek; Turchan, Łukasz

2018-01-01

The article presents the mathematical modeling of the phenomenon of artificial hyperthermia which is caused by the interaction of an electric field. The electric field is induced by the applicator positioned within the biological tissue with cancer. In addition, in order to estimate the degree of tumor destruction under the influence of high temperature an Arrhenius integral has been used. The distribution of electric potential in the domain considered is described by the Laplace system of equations, while the temperature field is described by the Pennes system of equations. These problems are coupled by source function being the additional component in the Pennes equation and resulting from the electric field action. The boundary element method is applied to solve the coupled problem connected with the heating of biological tissues.
Fractional cable equation models for anomalous electrodiffusion in nerve cells: infinite domain solutions.

PubMed

Langlands, T A M; Henry, B I; Wearne, S L

2009-12-01

We introduce fractional Nernst-Planck equations and derive fractional cable equations as macroscopic models for electrodiffusion of ions in nerve cells when molecular diffusion is anomalous subdiffusion due to binding, crowding or trapping. The anomalous subdiffusion is modelled by replacing diffusion constants with time dependent operators parameterized by fractional order exponents. Solutions are obtained as functions of the scaling parameters for infinite cables and semi-infinite cables with instantaneous current injections. Voltage attenuation along dendrites in response to alpha function synaptic inputs is computed. Action potential firing rates are also derived based on simple integrate and fire versions of the models. Our results show that electrotonic properties and firing rates of nerve cells are altered by anomalous subdiffusion in these models. We have suggested electrophysiological experiments to calibrate and validate the models.
Viscoelastic tides: models for use in Celestial Mechanics

NASA Astrophysics Data System (ADS)

Ragazzo, C.; Ruiz, L. S.

2017-05-01

This paper contains equations for the motion of linear viscoelastic bodies interacting under gravity. The equations are fully three dimensional and allow for the integration of the spin, the orbit, and the deformation of each body. The goal is to present good models for the tidal forces that take into account the possibly different rheology of each body. The equations are obtained within a finite dimension Lagrangian framework with dissipation function. The main contribution is a procedure to associate to each spring-dashpot model, which defines the rheology of a body, a potential and a dissipation function for the body deformation variables. The theory is applied to the Earth (solid part plus oceans) and a comparison between model and observation of the following quantities is made: norm of the Love numbers, rate of tidal energy dissipation, Chandler period, and Earth-Moon distance increase.
Comment on ``Accurate and fast numerical solution of Poisson's equation for arbitrary, space-filling Voronoi polyhedra: Near-field corrections revisited''

NASA Astrophysics Data System (ADS)

Gonis, A.; Zhang, X.-G.

2012-09-01

This is a Comment on the paper by Alam, Wilson, and Johnson [Phys. Rev. BPRBMDO1098-012110.1103/PhysRevB.84.205106 84, 205106 (2011)], proposing the solution of the near-field corrections (NFCs) problem for the Poisson equation for extended, e.g., space-filling charge densities. We point out that the problem considered by the authors can be simply avoided by means of performing certain integrals in a particular order, whereas, their method does not address the genuine problem of NFCs that arises when the solution of the Poisson equation is attempted within multiple-scattering theory. We also point out a flaw in their line of reasoning, leading to the expression for the potential inside the bounding sphere of a cell that makes it inapplicable for certain geometries.
Influence of optical activity on rogue waves propagating in chiral optical fibers.

PubMed

Temgoua, D D Estelle; Kofane, T C

2016-06-01

We derive the nonlinear Schrödinger (NLS) equation in chiral optical fiber with right- and left-hand nonlinear polarization. We use the similarity transformation to reduce the generalized chiral NLS equation to the higher-order integrable Hirota equation. We present the first- and second-order rational solutions of the chiral NLS equation with variable and constant coefficients, based on the modified Darboux transformation method. For some specific set of parameters, the features of chiral optical rogue waves are analyzed from analytical results, showing the influence of optical activity on waves. We also generate the exact solutions of the two-component coupled nonlinear Schrödinger equations, which describe optical activity effects on the propagation of rogue waves, and their properties in linear and nonlinear coupling cases are investigated. The condition of modulation instability of the background reveals the existence of vector rogue waves and the number of stable and unstable branches. Controllability of chiral optical rogue waves is examined by numerical simulations and may bring potential applications in optical fibers and in many other physical systems.
Differential equations for loop integrals in Baikov representation

NASA Astrophysics Data System (ADS)

Bosma, Jorrit; Larsen, Kasper J.; Zhang, Yang

2018-05-01

We present a proof that differential equations for Feynman loop integrals can always be derived in Baikov representation without involving dimension-shift identities. We moreover show that in a large class of two- and three-loop diagrams it is possible to avoid squared propagators in the intermediate steps of setting up the differential equations.
Monograph - The Numerical Integration of Ordinary Differential Equations.

ERIC Educational Resources Information Center

Hull, T. E.

The materials presented in this monograph are intended to be included in a course on ordinary differential equations at the upper division level in a college mathematics program. These materials provide an introduction to the numerical integration of ordinary differential equations, and they can be used to supplement a regular text on this…
An Analytical Comparison of the Acoustic Analogy and Kirchhoff Formulation for Moving Surfaces

NASA Technical Reports Server (NTRS)

Brentner, Kenneth S.; Farassat, F.

1997-01-01

The Lighthill acoustic analogy, as embodied in the Ffowcs Williams-Hawkings (FW-H) equation, is compared with the Kirchhoff formulation for moving surfaces. A comparison of the two governing equations reveals that the main Kirchhoff advantage (namely nonlinear flow effects are included in the surface integration) is also available to the FW-H method if the integration surface used in the FW-H equation is not assumed impenetrable. The FW-H equation is analytically superior for aeroacoustics because it is based upon the conservation laws of fluid mechanics rather than the wave equation. This means that the FW-H equation is valid even if the integration surface is in the nonlinear region. This is demonstrated numerically in the paper. The Kirchhoff approach can lead to substantial errors if the integration surface is not positioned in the linear region. These errors may be hard to identify. Finally, new metrics based on the Sobolev norm are introduced which may be used to compare input data for both quadrupole noise calculations and Kirchhoff noise predictions.
A Corresponding Lie Algebra of a Reductive homogeneous Group and Its Applications

NASA Astrophysics Data System (ADS)

Zhang, Yu-Feng; Wu, Li-Xin; Rui, Wen-Juan

2015-05-01

With the help of a Lie algebra of a reductive homogeneous space G/K, where G is a Lie group and K is a resulting isotropy group, we introduce a Lax pair for which an expanding (2+1)-dimensional integrable hierarchy is obtained by applying the binormial-residue representation (BRR) method, whose Hamiltonian structure is derived from the trace identity for deducing (2+1)-dimensional integrable hierarchies, which was proposed by Tu, et al. We further consider some reductions of the expanding integrable hierarchy obtained in the paper. The first reduction is just right the (2+1)-dimensional AKNS hierarchy, the second-type reduction reveals an integrable coupling of the (2+1)-dimensional AKNS equation (also called the Davey-Stewartson hierarchy), a kind of (2+1)-dimensional Schrödinger equation, which was once reobtained by Tu, Feng and Zhang. It is interesting that a new (2+1)-dimensional integrable nonlinear coupled equation is generated from the reduction of the part of the (2+1)-dimensional integrable coupling, which is further reduced to the standard (2+1)-dimensional diffusion equation along with a parameter. In addition, the well-known (1+1)-dimensional AKNS hierarchy, the (1+1)-dimensional nonlinear Schrödinger equation are all special cases of the (2+1)-dimensional expanding integrable hierarchy. Finally, we discuss a few discrete difference equations of the diffusion equation whose stabilities are analyzed by making use of the von Neumann condition and the Fourier method. Some numerical solutions of a special stationary initial value problem of the (2+1)-dimensional diffusion equation are obtained and the resulting convergence and estimation formula are investigated. Supported by the Innovation Team of Jiangsu Province hosted by China University of Mining and Technology (2014), the National Natural Science Foundation of China under Grant No. 11371361, the Fundamental Research Funds for the Central Universities (2013XK03), and the Natural Science Foundation of Shandong Province under Grant No. ZR2013AL016
Solving the hypersingular boundary integral equation in three-dimensional acoustics using a regularization relationship.

PubMed

Yan, Zai You; Hung, Kin Chew; Zheng, Hui

2003-05-01

Regularization of the hypersingular integral in the normal derivative of the conventional Helmholtz integral equation through a double surface integral method or regularization relationship has been studied. By introducing the new concept of discretized operator matrix, evaluation of the double surface integrals is reduced to calculate the product of two discretized operator matrices. Such a treatment greatly improves the computational efficiency. As the number of frequencies to be computed increases, the computational cost of solving the composite Helmholtz integral equation is comparable to that of solving the conventional Helmholtz integral equation. In this paper, the detailed formulation of the proposed regularization method is presented. The computational efficiency and accuracy of the regularization method are demonstrated for a general class of acoustic radiation and scattering problems. The radiation of a pulsating sphere, an oscillating sphere, and a rigid sphere insonified by a plane acoustic wave are solved using the new method with curvilinear quadrilateral isoparametric elements. It is found that the numerical results rapidly converge to the corresponding analytical solutions as finer meshes are applied.

On solvability of boundary value problems for hyperbolic fourth-order equations with nonlocal boundary conditions of integral type

NASA Astrophysics Data System (ADS)

Popov, Nikolay S.

2017-11-01

Solvability of some initial-boundary value problems for linear hyperbolic equations of the fourth order is studied. A condition on the lateral boundary in these problems relates the values of a solution or the conormal derivative of a solution to the values of some integral operator applied to a solution. Nonlocal boundary-value problems for one-dimensional hyperbolic second-order equations with integral conditions on the lateral boundary were considered in the articles by A.I. Kozhanov. Higher-dimensional hyperbolic equations of higher order with integral conditions on the lateral boundary were not studied earlier. The existence and uniqueness theorems of regular solutions are proven. The method of regularization and the method of continuation in a parameter are employed to establish solvability.
Reply to "Comment on 'Defocusing complex short-pulse equation and its multi-dark-soliton solution' ".

PubMed

Feng, Bao-Feng; Ling, Liming; Zhu, Zuonong

2017-08-01

Our paper [Phys. Rev. E 93, 052227 (2016)PREHBM2470-004510.1103/PhysRevE.93.052227], proposing an integrable model for the propagation of ultrashort pulses, has recently received a Comment by Youssoufa et al. [Phys. Rev. E 96, 026201 (2017)10.1103/PhysRevE.96.026201] about a possible flaw in its derivation. We point out that their claim is incorrect since we have stated explicitly that a term is neglected to derive our model equation in our paper. Furthermore, the integrable model is validated by comparing with the normalized Maxwell equation and other known integrable models. Moreover, we show that a similar approximation has to be performed in deriving the same integrable equation as explained in the Comment.
A new aerodynamic integral equation based on an acoustic formula in the time domain

NASA Technical Reports Server (NTRS)

Farassat, F.

1984-01-01

An aerodynamic integral equation for bodies moving at transonic and supersonic speeds is presented. Based on a time-dependent acoustic formula for calculating the noise emanating from the outer portion of a propeller blade travelling at high speed (the Ffowcs Williams-Hawking formulation), the loading terms and a conventional thickness source terms are retained. Two surface and three line integrals are employed to solve an equation for the loading noise. The near-field term is regularized using the collapsing sphere approach to obtain semiconvergence on the blade surface. A singular integral equation is thereby derived for the unknown surface pressure, and is amenable to numerical solutions using Galerkin or collocation methods. The technique is useful for studying the nonuniform inflow to the propeller.
Weyl relativity: a novel approach to Weyl's ideas

NASA Astrophysics Data System (ADS)

Barceló, Carlos; Carballo-Rubio, Raúl; Garay, Luis J.

2017-06-01

In this paper we revisit the motivation and construction of a unified theory of gravity and electromagnetism, following Weyl's insights regarding the appealing potential connection between the gauge invariance of electromagnetism and the conformal invariance of the gravitational field. We highlight that changing the local symmetry group of spacetime permits to construct a theory in which these two symmetries are combined into a putative gauge symmetry but with second-order field equations and non-trivial mass scales, unlike the original higher-order construction by Weyl. We prove that the gravitational field equations are equivalent to the (trace-free) Einstein field equations, ensuring their compatibility with known tests of general relativity. As a corollary, the effective cosmological constant is rendered radiatively stable due to Weyl invariance. A novel phenomenological consequence characteristic of this construction, potentially relevant for cosmological observations, is the existence of an energy scale below which effects associated with the non-integrability of spacetime distances, and an effective mass for the electromagnetic field, appear simultaneously (as dual manifestations of the use of Weyl connections). We explain how former criticisms against Weyl's ideas lose most of their power in its present reincarnation, which we refer to as Weyl relativity, as it represents a Weyl-invariant, unified description of both the Einstein and Maxwell field equations.
Weyl relativity: a novel approach to Weyl's ideas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barceló, Carlos; Carballo-Rubio, Raúl; Garay, Luis J., E-mail: carlos@iaa.es, E-mail: raul.carballo-rubio@uct.ac.za, E-mail: luisj.garay@ucm.es

In this paper we revisit the motivation and construction of a unified theory of gravity and electromagnetism, following Weyl's insights regarding the appealing potential connection between the gauge invariance of electromagnetism and the conformal invariance of the gravitational field. We highlight that changing the local symmetry group of spacetime permits to construct a theory in which these two symmetries are combined into a putative gauge symmetry but with second-order field equations and non-trivial mass scales, unlike the original higher-order construction by Weyl. We prove that the gravitational field equations are equivalent to the (trace-free) Einstein field equations, ensuring their compatibilitymore » with known tests of general relativity. As a corollary, the effective cosmological constant is rendered radiatively stable due to Weyl invariance. A novel phenomenological consequence characteristic of this construction, potentially relevant for cosmological observations, is the existence of an energy scale below which effects associated with the non-integrability of spacetime distances, and an effective mass for the electromagnetic field, appear simultaneously (as dual manifestations of the use of Weyl connections). We explain how former criticisms against Weyl's ideas lose most of their power in its present reincarnation, which we refer to as Weyl relativity, as it represents a Weyl-invariant, unified description of both the Einstein and Maxwell field equations.« less
Integrable equations of the infinite nonlinear Schrödinger equation hierarchy with time variable coefficients.

PubMed

Kedziora, D J; Ankiewicz, A; Chowdury, A; Akhmediev, N

2015-10-01

We present an infinite nonlinear Schrödinger equation hierarchy of integrable equations, together with the recurrence relations defining it. To demonstrate integrability, we present the Lax pairs for the whole hierarchy, specify its Darboux transformations and provide several examples of solutions. These resulting wavefunctions are given in exact analytical form. We then show that the Lax pair and Darboux transformation formalisms still apply in this scheme when the coefficients in the hierarchy depend on the propagation variable (e.g., time). This extension thus allows for the construction of complicated solutions within a greatly diversified domain of generalised nonlinear systems.
Classical integrable defects as quasi Bäcklund transformations

NASA Astrophysics Data System (ADS)

Doikou, Anastasia

2016-10-01

We consider the algebraic setting of classical defects in discrete and continuous integrable theories. We derive the ;equations of motion; on the defect point via the space-like and time-like description. We then exploit the structural similarity of these equations with the discrete and continuous Bäcklund transformations. And although these equations are similar they are not exactly the same to the Bäcklund transformations. We also consider specific examples of integrable models to demonstrate our construction, i.e. the Toda chain and the sine-Gordon model. The equations of the time (space) evolution of the defect (discontinuity) degrees of freedom for these models are explicitly derived.
Analytical expressions for the correlation function of a hard sphere dimer fluid

NASA Astrophysics Data System (ADS)

Kim, Soonho; Chang, Jaeeon; Kim, Hwayong

A closed form expression is given for the correlation function of a hard sphere dimer fluid. A set of integral equations is obtained from Wertheim's multidensity Ornstein-Zernike integral equation theory with Percus-Yevick approximation. Applying the Laplace transformation method to the integral equations and then solving the resulting equations algebraically, the Laplace transforms of the individual correlation functions are obtained. By the inverse Laplace transformation, the radial distribution function (RDF) is obtained in closed form out to 3D (D is the segment diameter). The analytical expression for the RDF of the hard dimer should be useful in developing the perturbation theory of dimer fluids.
Analytical expression for the correlation function of a hard sphere chain fluid

NASA Astrophysics Data System (ADS)

Chang, Jaeeon; Kim, Hwayong

A closed form expression is given for the correlation function of flexible hard sphere chain fluid. A set of integral equations obtained from Wertheim's multidensity Ornstein-Zernike integral equation theory with the polymer Percus-Yevick ideal chain approximation is considered. Applying the Laplace transformation method to the integral equations and then solving the resulting equations algebraically, the Laplace transforms of individual correlation functions are obtained. By inverse Laplace transformation the inter- and intramolecular radial distribution functions (RDFs) are obtained in closed forms up to 3D(D is segment diameter). These analytical expressions for the RDFs would be useful in developing the perturbation theory of chain fluids.
A review of the integrate-and-fire neuron model: II. Inhomogeneous synaptic input and network properties.

PubMed

Burkitt, A N

2006-08-01

The integrate-and-fire neuron model describes the state of a neuron in terms of its membrane potential, which is determined by the synaptic inputs and the injected current that the neuron receives. When the membrane potential reaches a threshold, an action potential (spike) is generated. This review considers the model in which the synaptic input varies periodically and is described by an inhomogeneous Poisson process, with both current and conductance synapses. The focus is on the mathematical methods that allow the output spike distribution to be analyzed, including first passage time methods and the Fokker-Planck equation. Recent interest in the response of neurons to periodic input has in part arisen from the study of stochastic resonance, which is the noise-induced enhancement of the signal-to-noise ratio. Networks of integrate-and-fire neurons behave in a wide variety of ways and have been used to model a variety of neural, physiological, and psychological phenomena. The properties of the integrate-and-fire neuron model with synaptic input described as a temporally homogeneous Poisson process are reviewed in an accompanying paper (Burkitt in Biol Cybern, 2006).
Simulation of RF-fields in a fusion device

DOE Office of Scientific and Technical Information (OSTI.GOV)

De Witte, Dieter; Bogaert, Ignace; De Zutter, Daniel

2009-11-26

In this paper the problem of scattering off a fusion plasma is approached from the point of view of integral equations. Using the volume equivalence principle an integral equation is derived which describes the electromagnetic fields in a plasma. The equation is discretized with MoM using conforming basis functions. This reduces the problem to solving a dense matrix equation. This can be done iteratively. Each iteration can be sped up using FFTs.
On the conservation laws and solutions of a (2+1) dimensional KdV-mKdV equation of mathematical physics

NASA Astrophysics Data System (ADS)

Motsepa, Tanki; Masood Khalique, Chaudry

2018-05-01

In this paper, we study a (2+1) dimensional KdV-mKdV equation, which models many physical phenomena of mathematical physics. This equation has two integral terms in it. By an appropriate substitution, we convert this equation into two partial differential equations, which do not have integral terms and are equivalent to the original equation. We then work with the system of two equations and obtain its exact travelling wave solutions in form of Jacobi elliptic functions. Furthermore, we employ the multiplier method to construct conservation laws for the system. Finally, we revert the results obtained into the original variables of the (2+1) dimensional KdV-mKdV equation.
New integrable model of propagation of the few-cycle pulses in an anisotropic microdispersed medium

NASA Astrophysics Data System (ADS)

Sazonov, S. V.; Ustinov, N. V.

2018-03-01

We investigate the propagation of the few-cycle electromagnetic pulses in the anisotropic microdispersed medium. The effects of the anisotropy and spatial dispersion of the medium are created by the two sorts of the two-level atoms. The system of the material equations describing an evolution of the states of the atoms and the wave equations for the ordinary and extraordinary components of the pulses is derived. By applying the approximation of the sudden excitation to exclude the material variables, we reduce this system to the single nonlinear wave equation that generalizes the modified sine-Gordon equation and the Rabelo-Fokas equation. It is shown that this equation is integrable by means of the inverse scattering transformation method if an additional restriction on the parameters is imposed. The multisoliton solutions of this integrable generalization are constructed and investigated.
First integrals and parametric solutions of third-order ODEs admitting {\\mathfrak{sl}(2, {R})}

NASA Astrophysics Data System (ADS)

Ruiz, A.; Muriel, C.

2017-05-01

A complete set of first integrals for any third-order ordinary differential equation admitting a Lie symmetry algebra isomorphic to sl(2, {R}) is explicitly computed. These first integrals are derived from two linearly independent solutions of a linear second-order ODE, without additional integration. The general solution in parametric form can be obtained by using the computed first integrals. The study includes a parallel analysis of the four inequivalent realizations of sl(2, {R}) , and it is applied to several particular examples. These include the generalized Chazy equation, as well as an example of an equation which admits the most complicated of the four inequivalent realizations.
PREFACE: Symmetries and Integrability of Difference Equations

NASA Astrophysics Data System (ADS)

Doliwa, Adam; Korhonen, Risto; Lafortune, Stéphane

2007-10-01

The notion of integrability was first introduced in the 19th century in the context of classical mechanics with the definition of Liouville integrability for Hamiltonian flows. Since then, several notions of integrability have been introduced for partial and ordinary differential equations. Closely related to integrability theory is the symmetry analysis of nonlinear evolution equations. Symmetry analysis takes advantage of the Lie group structure of a given equation to study its properties. Together, integrability theory and symmetry analysis provide the main method by which nonlinear evolution equations can be solved explicitly. Difference equations (DE), like differential equations, are important in numerous fields of science and have a wide variety of applications in such areas as mathematical physics, computer visualization, numerical analysis, mathematical biology, economics, combinatorics, and quantum field theory. It is thus crucial to develop tools to study and solve DEs. While the theory of symmetry and integrability for differential equations is now largely well-established, this is not yet the case for discrete equations. Although over recent years there has been significant progress in the development of a complete analytic theory of difference equations, further tools are still needed to fully understand, for instance, the symmetries, asymptotics and the singularity structure of difference equations. The series of SIDE meetings on Symmetries and Integrability of Difference Equations started in 1994. Its goal is to provide a platform for an international and interdisciplinary communication for researchers working in areas associated with integrable discrete systems, such as classical and quantum physics, computer science and numerical analysis, mathematical biology and economics, discrete geometry and combinatorics, theory of special functions, etc. The previous SIDE meetings took place in Estérel near Montréal, Canada (1994), at the University of Kent in Canterbury, UK (1996), in Sabaudia near Rome, Italy (1998), at the University of Tokyo, Japan (2000), in Giens, France (2002), and in Helsinki, Finland (2004). The SIDE VII meeting was held at the University of Melbourne from 10-14 July 2006. The scientific committee consisted of Nalini Joshi (The University of Sydney), Frank W Nijhoff (University of Leeds), Reinout Quispel (La Trobe University) and Colin Rogers (University of New South Wales). The local organization was in the hands of John A G Roberts and Wolfgang K Schief. Proceedings of all the previous SIDE meetings have been published; the 1994 and 1988 meetings (edited respectively by D Levi, L Vinet and P Winternitz, and by D Levi and O Ragnisco) as volumes of the CRM Proceedings and Lecture Notes (AMS Publications), the 1996 meeting (edited by P Clarkson and F W Nijhoff) as Volume 255 in the LMS Lecture Note Series. Starting from the 1996 meeting the formula of publication has been changed to include rather selected refereed contributions submitted in response to a call for papers issued after the meetings and not restricted to their participants. Thus publications reflecting the scope of the 1996 meeting (edited by J Hietarinta, F W Nijhoff and J Satsuma) appeared in Journal of Physics A: Mathematical and General 34 48 (special issue), and of the 1998 and 2000 meetings (edited respectively by F W Nijhoff, Yu B Suris and C-M Viallet, and by J F van Diejen and R Halburd) in Journal of Nonlinear Mathematical Physics 10 (Suppl. 2) and 12 (Suppl. 2). The aim of this special issue is to benefit from the occasion offered by the SIDE VII meeting, producing an issue containing papers which represent the state-of-the-art knowledge for studying integrability and symmetry properties of difference equations. This special issue features high quality research papers and invited reviews which deal with themes that were covered by the SIDE VII conference. These are in alphabetical order: Algebraic-geometric approaches to integrability. The first section contains a paper by T Hamamoto and K Kajiwara on hypergeometric solutions to the q-Painlevé equation of type A4(1). Discrete geometry. In this category there are three papers. J Cielinski offers a geometric definition and a spectral approach on pseudospherical surfaces on time scales, while A Doliwa considers generalized isothermic lattices. The paper by U Pinkall, B Springborn and S Weiss mann is concerned with a new doubly discrete analogue of smoke ring flow and the real time simulation of fluid flow. Integrable systems in statistical physics. Under this heading there is a paper by R J Baxter on corner transfer matrices in statistical mechanics, and a paper by S Boukraa, S Hassani, J-M Maillard, B M McCoy, J-A Weil and N Zenine where the authors consider Fuchs-Painlevé elliptic representation of the Painlevé VI equation. KP lattices and differential-difference hierarchies. In this section we have seven articles. C R Gilson, J J C Nimmo and Y Ohta consider quasideterminant solutions of a non-Abelian Hirota-Miwa equation, while B Grammaticos, A Ramani, V Papageorgiou, J Satsuma and R Willox discuss the construction of lump-like solutions of the Hirota-Miwa equation. J Hietarinta and C Viallet analyze the factorization process for lattice maps searching for integrable cases, the paper by X-B Hu and G-F Yu is concerned with integrable discretizations of the (2+1)-dimensional sinh-Gordon equation, and K Kajiwara, M Mazzocco and Y Ohta consider the Hankel determinant formula of the tau-functions of the Toda equation. Finally, V G Papageorgiou and A G Tongas study Yang-Baxter maps and multi-field integrable lattice equations, and H-Y Wang, X-B Hu and H-W Tam consider the two-dimensional Leznov lattice equation with self-consistent sources. Quantum integrable systems. This category contains a paper on q-extended eigenvectors of the integral and finite Fourier transforms by N M Atakishiyev, J P Rueda and K B Wolf, and an article by S M Sergeev on quantization of three-wave equations. Random matrix theory. This section contains a paper by A V Kitaev on the boundary conditions for scaled random matrix ensembles in the bulk of the spectrum. Symmetries and conservation laws. In this section we have five articles. H Gegen, X-B Hu, D Levi and S Tsujimoto consider a difference-analogue of Davey-Stewartson system giving its discrete Gram-type determinant solution and Lax pair. The paper by D Levi, M Petrera, and C Scimiterna is about the lattice Schwarzian KDV equation and its symmetries, while O G Rasin and P E Hydon study the conservation laws for integrable difference equations. S Saito and N Saitoh discuss recurrence equations associated with invariant varieties of periodic points, and P H van der Kamp presents closed-form expressions for integrals of MKDV and sine-Gordon maps. Ultra-discrete systems. This final category contains an article by C Ormerod on connection matrices for ultradiscrete linear problems. We would like to express our sincerest thanks to all contributors, and to everyone involved in compiling this special issue.
Traveling wave solutions of the nonlinear Schrödinger equation

NASA Astrophysics Data System (ADS)

Akbari-Moghanjoughi, M.

2017-10-01

In this paper, we investigate the traveling soliton and the periodic wave solutions of the nonlinear Schrödinger equation (NLSE) with generalized nonlinear functionality. We also explore the underlying close connection between the well-known KdV equation and the NLSE. It is remarked that both one-dimensional KdV and NLSE models share the same pseudoenergy spectrum. We also derive the traveling wave solutions for two cases of weakly nonlinear mathematical models, namely, the Helmholtz and the Duffing oscillators' potentials. It is found that these models only allow gray-type NLSE solitary propagations. It is also found that the pseudofrequency ratio for the Helmholtz potential between the nonlinear periodic carrier and the modulated sinusoidal waves is always in the range 0.5 ≤ Ω/ω ≤ 0.537285 regardless of the potential parameter values. The values of Ω/ω = {0.5, 0.537285} correspond to the cnoidal waves modulus of m = {0, 1} for soliton and sinusoidal limits and m = 0.5, respectively. Moreover, the current NLSE model is extended to fully NLSE (FNLSE) situation for Sagdeev oscillator pseudopotential which can be derived using a closed set of hydrodynamic fluid equations with a fully integrable Hamiltonian system. The generalized quasi-three-dimensional traveling wave solution is also derived. The current simple hydrodynamic plasma model may also be generalized to two dimensions and other complex situations including different charged species and cases with magnetic or gravitational field effects.
On the mechanics of stress analysis of fiber-reinforced composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, V.G.

A general mathematical formulation is developed for the three-dimensional inclusion and inhomogeneity problems, which are practically important in many engineering applications such as fiber pullout of reinforced composites, load transfer behavior in the stiffened structural components, and material defects and impurities existing in engineering materials. First, the displacement field (Green's function) for an elastic solid subjected to various distributions of ring loading is derived in closed form using the Papkovich-Neuber displacement potentials and the Hankel transforms. The Green's functions are used to derive the displacement and stress fields due to a finite cylindrical inclusion of prescribed dilatational eigenstrain such asmore » thermal expansion caused by an internal heat source. Unlike an elliptical inclusion, the interior stress field in the cylindrical inclusion is not uniform. Next, the three-dimensional inhomogeneity problem of a cylindrical fiber embedded in an infinite matrix of different material properties is considered to study load transfer of a finite fiber to an elastic medium. By using the equivalent inclusion method, the fiber is modeled as an inclusion with distributed eigenstrains of unknown strength, and the inhomogeneity problem can be treated as an equivalent inclusion problem. The eigenstrains are determined to simulate the disturbance due to the existing fiber. The equivalency of elastic field between inhomogeneity and inclusion problems leads to a set of integral equations. To solve the integral equations, the inclusion domain is discretized into a finite number of sub-inclusions with uniform eigenstrains, and the integral equations are reduced to a set of algebraic equations. The distributions of eigenstrains, interior stress field and axial force along the fiber are presented for various fiber lengths and the ratio of material properties of the fiber relative to the matrix.« less
Analytic approximations of Von Kármán plate under arbitrary uniform pressure—equations in integral form

NASA Astrophysics Data System (ADS)

Zhong, XiaoXu; Liao, ShiJun

2018-01-01

Analytic approximations of the Von Kármán's plate equations in integral form for a circular plate under external uniform pressure to arbitrary magnitude are successfully obtained by means of the homotopy analysis method (HAM), an analytic approximation technique for highly nonlinear problems. Two HAM-based approaches are proposed for either a given external uniform pressure Q or a given central deflection, respectively. Both of them are valid for uniform pressure to arbitrary magnitude by choosing proper values of the so-called convergence-control parameters c 1 and c 2 in the frame of the HAM. Besides, it is found that the HAM-based iteration approaches generally converge much faster than the interpolation iterative method. Furthermore, we prove that the interpolation iterative method is a special case of the first-order HAM iteration approach for a given external uniform pressure Q when c 1 = - θ and c 2 = -1, where θ denotes the interpolation iterative parameter. Therefore, according to the convergence theorem of Zheng and Zhou about the interpolation iterative method, the HAM-based approaches are valid for uniform pressure to arbitrary magnitude at least in the special case c 1 = - θ and c 2 = -1. In addition, we prove that the HAM approach for the Von Kármán's plate equations in differential form is just a special case of the HAM for the Von Kármán's plate equations in integral form mentioned in this paper. All of these illustrate the validity and great potential of the HAM for highly nonlinear problems, and its superiority over perturbation techniques.
An energy-stable method for solving the incompressible Navier-Stokes equations with non-slip boundary condition

NASA Astrophysics Data System (ADS)

Lee, Byungjoon; Min, Chohong

2018-05-01

We introduce a stable method for solving the incompressible Navier-Stokes equations with variable density and viscosity. Our method is stable in the sense that it does not increase the total energy of dynamics that is the sum of kinetic energy and potential energy. Instead of velocity, a new state variable is taken so that the kinetic energy is formulated by the L2 norm of the new variable. Navier-Stokes equations are rephrased with respect to the new variable, and a stable time discretization for the rephrased equations is presented. Taking into consideration the incompressibility in the Marker-And-Cell (MAC) grid, we present a modified Lax-Friedrich method that is L2 stable. Utilizing the discrete integration-by-parts in MAC grid and the modified Lax-Friedrich method, the time discretization is fully discretized. An explicit CFL condition for the stability of the full discretization is given and mathematically proved.
Sum rules and other properties involving resonance projection operators. [for optical potential description of electron scattering from atoms and ions

NASA Technical Reports Server (NTRS)

Berk, A.; Temkin, A.

1985-01-01

A sum rule is derived for the auxiliary eigenvalues of an equation whose eigenspectrum pertains to projection operators which describe electron scattering from multielectron atoms and ions. The sum rule's right-hand side depends on an integral involving the target system eigenfunctions. The sum rule is checked for several approximations of the two-electron target. It is shown that target functions which have a unit eigenvalue in their auxiliary eigenspectrum do not give rise to well-defined projection operators except through a limiting process. For Hylleraas target approximations, the auxiliary equations are shown to contain an infinite spectrum. However, using a Rayleigh-Ritz variational principle, it is shown that a comparatively simple aproximation can exhaust the sum rule to better than five significant figures. The auxiliary Hylleraas equation is greatly simplified by conversion to a square root equation containing the same eigenfunction spectrum and from which the required eigenvalues are trivially recovered by squaring.

Tidal Love Numbers of Neutron Stars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hinderer, Tanja

For a variety of fully relativistic polytropic neutron star models we calculate the star's tidal Love number k{sub 2}. Most realistic equations of state for neutron stars can be approximated as a polytrope with an effective index n {approx} 0.5-1.0. The equilibrium stellar model is obtained by numerical integration of the Tolman-Oppenheimer-Volkhov equations. We calculate the linear l = 2 static perturbations to the Schwarzschild spacetime following the method of Thorne and Campolattaro. Combining the perturbed Einstein equations into a single second-order differential equation for the perturbation to the metric coefficient g{sub tt} and matching the exterior solution to themore » asymptotic expansion of the metric in the star's local asymptotic rest frame gives the Love number. Our results agree well with the Newtonian results in the weak field limit. The fully relativistic values differ from the Newtonian values by up to {approx}24%. The Love number is potentially measurable in gravitational wave signals from inspiralling binary neutron stars.« less
A macroscopic plasma Lagrangian and its application to wave interactions and resonances

NASA Technical Reports Server (NTRS)

Peng, Y. K. M.

1974-01-01

The derivation of a macroscopic plasma Lagrangian is considered, along with its application to the description of nonlinear three-wave interaction in a homogeneous plasma and linear resonance oscillations in a inhomogeneous plasma. One approach to obtain the Lagrangian is via the inverse problem of the calculus of variations for arbitrary first and second order quasilinear partial differential systems. Necessary and sufficient conditions for the given equations to be Euler-Lagrange equations of a Lagrangian are obtained. These conditions are then used to determine the transformations that convert some classes of non-Euler-Lagrange equations to Euler-Lagrange equation form. The Lagrangians for a linear resistive transmission line and a linear warm collisional plasma are derived as examples. Using energy considerations, the correct macroscopic plasma Lagrangian is shown to differ from the velocity-integrated low Lagrangian by a macroscopic potential energy that equals twice the particle thermal kinetic energy plus the energy lost by heat conduction.
The ε-form of the differential equations for Feynman integrals in the elliptic case

NASA Astrophysics Data System (ADS)

Adams, Luise; Weinzierl, Stefan

2018-06-01

Feynman integrals are easily solved if their system of differential equations is in ε-form. In this letter we show by the explicit example of the kite integral family that an ε-form can even be achieved, if the Feynman integrals do not evaluate to multiple polylogarithms. The ε-form is obtained by a (non-algebraic) change of basis for the master integrals.
Chordwise and compressibility corrections to slender-wing theory

NASA Technical Reports Server (NTRS)

Lomax, Harvard; Sluder, Loma

1952-01-01

Corrections to slender-wing theory are obtained by assuming a spanwise distribution of loading and determining the chordwise variation which satisfies the appropriate integral equation. Such integral equations are set up in terms of the given vertical induced velocity on the center line or, depending on the type of wing plan form, its average value across the span at a given chord station. The chordwise distribution is then obtained by solving these integral equations. Results are shown for flat-plate rectangular, and triangular wings.
The ATOMFT integrator - Using Taylor series to solve ordinary differential equations

NASA Technical Reports Server (NTRS)

Berryman, Kenneth W.; Stanford, Richard H.; Breckheimer, Peter J.

1988-01-01

This paper discusses the application of ATOMFT, an integration package based on Taylor series solution with a sophisticated user interface. ATOMFT has the capabilities to allow the implementation of user defined functions and the solution of stiff and algebraic equations. Detailed examples, including the solutions to several astrodynamics problems, are presented. Comparisons with its predecessor ATOMCC and other modern integrators indicate that ATOMFT is a fast, accurate, and easy method to use to solve many differential equation problems.
Matrix algorithms for solving (in)homogeneous bound state equations

PubMed Central

Blank, M.; Krassnigg, A.

2011-01-01

In the functional approach to quantum chromodynamics, the properties of hadronic bound states are accessible via covariant integral equations, e.g. the Bethe–Salpeter equation for mesons. In particular, one has to deal with linear, homogeneous integral equations which, in sophisticated model setups, use numerical representations of the solutions of other integral equations as part of their input. Analogously, inhomogeneous equations can be constructed to obtain off-shell information in addition to bound-state masses and other properties obtained from the covariant analogue to a wave function of the bound state. These can be solved very efficiently using well-known matrix algorithms for eigenvalues (in the homogeneous case) and the solution of linear systems (in the inhomogeneous case). We demonstrate this by solving the homogeneous and inhomogeneous Bethe–Salpeter equations and find, e.g. that for the calculation of the mass spectrum it is as efficient or even advantageous to use the inhomogeneous equation as compared to the homogeneous. This is valuable insight, in particular for the study of baryons in a three-quark setup and more involved systems. PMID:21760640
Analytical Theory of the Destruction Terms in Dissipation Rate Transport Equations

NASA Technical Reports Server (NTRS)

Rubinstein, Robert; Zhou, Ye

1996-01-01

Modeled dissipation rate transport equations are often derived by invoking various hypotheses to close correlations in the corresponding exact equations. D. C. Leslie suggested that these models might be derived instead from Kraichnan's wavenumber space integrals for inertial range transport power. This suggestion is applied to the destruction terms in the dissipation rate equations for incompressible turbulence, buoyant turbulence, rotating incompressible turbulence, and rotating buoyant turbulence. Model constants like C(epsilon 2) are expressed as integrals; convergence of these integrals implies the absence of Reynolds number dependence in the corresponding destruction term. The dependence of C(epsilon 2) on rotation rate emerges naturally; sensitization of the modeled dissipation rate equation to rotation is not required. A buoyancy related effect which is absent in the exact transport equation for temperature variance dissipation, but which sometimes improves computational predictions, also arises naturally. Both the presence of this effect and the appropriate time scale in the modeled transport equation depend on whether Bolgiano or Kolmogorov inertial range scaling applies. A simple application of these methods leads to a preliminary, dissipation rate equation for rotating buoyant turbulence.
Efficiently and easily integrating differential equations with JiTCODE, JiTCDDE, and JiTCSDE

NASA Astrophysics Data System (ADS)

Ansmann, Gerrit

2018-04-01

We present a family of Python modules for the numerical integration of ordinary, delay, or stochastic differential equations. The key features are that the user enters the derivative symbolically and it is just-in-time-compiled, allowing the user to efficiently integrate differential equations from a higher-level interpreted language. The presented modules are particularly suited for large systems of differential equations such as those used to describe dynamics on complex networks. Through the selected method of input, the presented modules also allow almost complete automatization of the process of estimating regular as well as transversal Lyapunov exponents for ordinary and delay differential equations. We conceptually discuss the modules' design, analyze their performance, and demonstrate their capabilities by application to timely problems.
Asymptotic integration algorithms for first-order ODEs with application to viscoplasticity

NASA Technical Reports Server (NTRS)

Freed, Alan D.; Yao, Minwu; Walker, Kevin P.

1992-01-01

When constructing an algorithm for the numerical integration of a differential equation, one must first convert the known ordinary differential equation (ODE), which is defined at a point, into an ordinary difference equation (O(delta)E), which is defined over an interval. Asymptotic, generalized, midpoint, and trapezoidal, O(delta)E algorithms are derived for a nonlinear first order ODE written in the form of a linear ODE. The asymptotic forward (typically underdamped) and backward (typically overdamped) integrators bound these midpoint and trapezoidal integrators, which tend to cancel out unwanted numerical damping by averaging, in some sense, the forward and backward integrations. Viscoplasticity presents itself as a system of nonlinear, coupled first-ordered ODE's that are mathematically stiff, and therefore, difficult to numerically integrate. They are an excellent application for the asymptotic integrators. Considering a general viscoplastic structure, it is demonstrated that one can either integrate the viscoplastic stresses or their associated eigenstrains.
Semi-analytical Karhunen-Loeve representation of irregular waves based on the prolate spheroidal wave functions

NASA Astrophysics Data System (ADS)

Lee, Gibbeum; Cho, Yeunwoo

2018-01-01

A new semi-analytical approach is presented to solving the matrix eigenvalue problem or the integral equation in Karhunen-Loeve (K-L) representation of random data such as irregular ocean waves. Instead of direct numerical approach to this matrix eigenvalue problem, which may suffer from the computational inaccuracy for big data, a pair of integral and differential equations are considered, which are related to the so-called prolate spheroidal wave functions (PSWF). First, the PSWF is expressed as a summation of a small number of the analytical Legendre functions. After substituting them into the PSWF differential equation, a much smaller size matrix eigenvalue problem is obtained than the direct numerical K-L matrix eigenvalue problem. By solving this with a minimal numerical effort, the PSWF and the associated eigenvalue of the PSWF differential equation are obtained. Then, the eigenvalue of the PSWF integral equation is analytically expressed by the functional values of the PSWF and the eigenvalues obtained in the PSWF differential equation. Finally, the analytically expressed PSWFs and the eigenvalues in the PWSF integral equation are used to form the kernel matrix in the K-L integral equation for the representation of exemplary wave data such as ordinary irregular waves. It is found that, with the same accuracy, the required memory size of the present method is smaller than that of the direct numerical K-L representation and the computation time of the present method is shorter than that of the semi-analytical method based on the sinusoidal functions.
Integrated surface/subsurface permafrost thermal hydrology: Model formulation and proof-of-concept simulations

DOE PAGES

Painter, Scott L.; Coon, Ethan T.; Atchley, Adam L.; ...

2016-08-11

The need to understand potential climate impacts and feedbacks in Arctic regions has prompted recent interest in modeling of permafrost dynamics in a warming climate. A new fine-scale integrated surface/subsurface thermal hydrology modeling capability is described and demonstrated in proof-of-concept simulations. The new modeling capability combines a surface energy balance model with recently developed three-dimensional subsurface thermal hydrology models and new models for nonisothermal surface water flows and snow distribution in the microtopography. Surface water flows are modeled using the diffusion wave equation extended to include energy transport and phase change of ponded water. Variation of snow depth in themore » microtopography, physically the result of wind scour, is also modeled heuristically with a diffusion wave equation. The multiple surface and subsurface processes are implemented by leveraging highly parallel community software. Fully integrated thermal hydrology simulations on the tilted open book catchment, an important test case for integrated surface/subsurface flow modeling, are presented. Fine-scale 100-year projections of the integrated permafrost thermal hydrological system on an ice wedge polygon at Barrow Alaska in a warming climate are also presented. Finally, these simulations demonstrate the feasibility of microtopography-resolving, process-rich simulations as a tool to help understand possible future evolution of the carbon-rich Arctic tundra in a warming climate.« less
Semiempirical equations for modeling solid-state kinetics based on a Maxwell-Boltzmann distribution of activation energies: applications to a polymorphic transformation under crystallization slurry conditions and to the thermal decomposition of AgMnO4 crystals.

PubMed

Skrdla, Peter J; Robertson, Rebecca T

2005-06-02

Many solid-state reactions and phase transformations performed under isothermal conditions give rise to asymmetric, sigmoidally shaped conversion-time (x-t) profiles. The mathematical treatment of such curves, as well as their physical interpretation, is often challenging. In this work, the functional form of a Maxwell-Boltzmann (M-B) distribution is used to describe the distribution of activation energies for the reagent solids, which, when coupled with an integrated first-order rate expression, yields a novel semiempirical equation that may offer better success in the modeling of solid-state kinetics. In this approach, the Arrhenius equation is used to relate the distribution of activation energies to a corresponding distribution of rate constants for the individual molecules in the reagent solids. This distribution of molecular rate constants is then correlated to the (observable) reaction time in the derivation of the model equation. In addition to providing a versatile treatment for asymmetric, sigmoidal reaction curves, another key advantage of our equation over other models is that the start time of conversion is uniquely defined at t = 0. We demonstrate the ability of our simple, two-parameter equation to successfully model the experimental x-t data for the polymorphic transformation of a pharmaceutical compound under crystallization slurry (i.e., heterogeneous) conditions. Additionally, we use a modification of this equation to model the kinetics of a historically significant, homogeneous solid-state reaction: the thermal decomposition of AgMnO4 crystals. The potential broad applicability of our statistical (i.e., dispersive) kinetic approach makes it a potentially attractive alternative to existing models/approaches.
Molecular based equation of state for shocked liquid nitromethane.

PubMed

Desbiens, Nicolas; Bourasseau, Emeric; Maillet, Jean-Bernard; Soulard, Laurent

2009-07-30

An approach is proposed to obtain the equation of state of unreactive shocked liquid nitromethane. Unlike previous major works, this equation of state is not based on extended integration schemes [P.C. Lysne, D.R. Hardesty, Fundamental equation of state of liquid nitromethane to 100 kbar, J. Chem. Phys. 59 (1973) 6512]. It does not follow the way proposed by Winey et al. [J.M. Winey, G.E. Duvall, M.D. Knudson, Y.M. Gupta, Equation of state and temperature measurements for shocked nitromethane, J. Chem. Phys. 113 (2000) 7492] where the specific heat C(v), the isothermal bulk modulus B(T) and the coefficient of thermal pressure (deltaP/deltaT)(v) are modeled as functions of temperature and volume using experimental data. In this work, we compute the complete equation of state by microscopic calculations. Indeed, by means of Monte Carlo molecular simulations, we have proposed a new force field for nitromethane that lead to a good description of shock properties [N. Desbiens, E. Bourasseau, J.-B. Maillet, Potential optimization for the calculation of shocked liquid nitromethane properties, Mol. Sim. 33 (2007) 1061; A. Hervouët, N. Desbiens, E. Bourasseau, J.-B. Maillet, Microscopic approaches to liquid nitromethane detonation properties, J. Phys. Chem. B 112 (2008) 5070]. Particularly, it has been shown that shock temperatures and second shock temperatures are accurately reproduced which is significative of the quality of the potential. Here, thermodynamic derivative properties are computed: specific heats, Grüneisen parameter, sound velocity among others, along the Hugoniot curve. This work constitutes to our knowledge the first determination of the equation of state of an unreactive shocked explosive by molecular simulations.
Viscous wing theory development. Volume 2: GRUMWING computer program user's manual

NASA Technical Reports Server (NTRS)

Chow, R. R.; Ogilvie, P. L.

1986-01-01

This report is a user's manual which describes the operation of the computer program, GRUMWING. The program computes the viscous transonic flow over three-dimensional wings using a boundary layer type viscid-inviscid interaction approach. The inviscid solution is obtained by an approximate factorization (AFZ)method for the full potential equation. The boundary layer solution is based on integral entrainment methods.
Accurate pressure gradient calculations in hydrostatic atmospheric models

NASA Technical Reports Server (NTRS)

Carroll, John J.; Mendez-Nunez, Luis R.; Tanrikulu, Saffet

1987-01-01

A method for the accurate calculation of the horizontal pressure gradient acceleration in hydrostatic atmospheric models is presented which is especially useful in situations where the isothermal surfaces are not parallel to the vertical coordinate surfaces. The present method is shown to be exact if the potential temperature lapse rate is constant between the vertical pressure integration limits. The technique is applied to both the integration of the hydrostatic equation and the computation of the slope correction term in the horizontal pressure gradient. A fixed vertical grid and a dynamic grid defined by the significant levels in the vertical temperature distribution are employed.
On the gravitational field of static and stationary axial symmetric bodies with multi-polar structure

NASA Astrophysics Data System (ADS)

Letelier, Patricio S.

1999-04-01

We give a physical interpretation to the multi-polar Erez-Rozen-Quevedo solution of the Einstein equations in terms of bars. We find that each multi-pole corresponds to the Newtonian potential of a bar with linear density proportional to a Legendre polynomial. We use this fact to find an integral representation of the 0264-9381/16/4/010/img1 function. These integral representations are used in the context of the inverse scattering method to find solutions associated with one or more rotating bodies each with their own multi-polar structure.
Design of supercritical cascades with high solidity

NASA Technical Reports Server (NTRS)

Sanz, J. M.

1982-01-01

The method of complex characteristics of Garabedian and Korn was successfully used to design shockless cascades with solidities of up to one. A code was developed using this method and a new hodograph transformation of the flow onto an ellipse. This code allows the design of cascades with solidities of up to two and larger turning angles. The equations of potential flow are solved in a complex hodograph like domain by setting a characteristic initial value problem and integrating along suitable paths. The topology that the new mapping introduces permits a simpler construction of these paths of integration.
The integrated Michaelis-Menten rate equation: déjà vu or vu jàdé?

PubMed

Goličnik, Marko

2013-08-01

A recent article of Johnson and Goody (Biochemistry, 2011;50:8264-8269) described the almost-100-years-old paper of Michaelis and Menten. Johnson and Goody translated this classic article and presented the historical perspective to one of incipient enzyme-reaction data analysis, including a pioneering global fit of the integrated rate equation in its implicit form to the experimental time-course data. They reanalyzed these data, although only numerical techniques were used to solve the model equations. However, there is also the still little known algebraic rate-integration equation in a closed form that enables direct fitting of the data. Therefore, in this commentary, I briefly present the integral solution of the Michaelis-Menten rate equation, which has been largely overlooked for three decades. This solution is expressed in terms of the Lambert W function, and I demonstrate here its use for global nonlinear regression curve fitting, as carried out with the original time-course dataset of Michaelis and Menten.
The Boundary Integral Equation Method for Porous Media Flow

NASA Astrophysics Data System (ADS)

Anderson, Mary P.

Just as groundwater hydrologists are breathing sighs of relief after the exertions of learning the finite element method, a new technique has reared its nodes—the boundary integral equation method (BIEM) or the boundary equation method (BEM), as it is sometimes called. As Liggett and Liu put it in the preface to The Boundary Integral Equation Method for Porous Media Flow, “Lately, the Boundary Integral Equation Method (BIEM) has emerged as a contender in the computation Derby.” In fact, in July 1984, the 6th International Conference on Boundary Element Methods in Engineering will be held aboard the Queen Elizabeth II, en route from Southampton to New York. These conferences are sponsored by the Department of Civil Engineering at Southampton College (UK), whose members are proponents of BIEM. The conferences have featured papers on applications of BIEM to all aspects of engineering, including flow through porous media. Published proceedings are available, as are textbooks on application of BIEM to engineering problems. There is even a 10-minute film on the subject.
Differential geometry-based solvation and electrolyte transport models for biomolecular modeling: a review

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wei, Guowei; Baker, Nathan A.

2016-11-11

This chapter reviews the differential geometry-based solvation and electrolyte transport for biomolecular solvation that have been developed over the past decade. A key component of these methods is the differential geometry of surfaces theory, as applied to the solvent-solute boundary. In these approaches, the solvent-solute boundary is determined by a variational principle that determines the major physical observables of interest, for example, biomolecular surface area, enclosed volume, electrostatic potential, ion density, electron density, etc. Recently, differential geometry theory has been used to define the surfaces that separate the microscopic (solute) domains for biomolecules from the macroscopic (solvent) domains. In thesemore » approaches, the microscopic domains are modeled with atomistic or quantum mechanical descriptions, while continuum mechanics models (including fluid mechanics, elastic mechanics, and continuum electrostatics) are applied to the macroscopic domains. This multiphysics description is integrated through an energy functional formalism and the resulting Euler-Lagrange equation is employed to derive a variety of governing partial differential equations for different solvation and transport processes; e.g., the Laplace-Beltrami equation for the solvent-solute interface, Poisson or Poisson-Boltzmann equations for electrostatic potentials, the Nernst-Planck equation for ion densities, and the Kohn-Sham equation for solute electron density. Extensive validation of these models has been carried out over hundreds of molecules, including proteins and ion channels, and the experimental data have been compared in terms of solvation energies, voltage-current curves, and density distributions. We also propose a new quantum model for electrolyte transport.« less

From Newton's Law to the Linear Boltzmann Equation Without Cut-Off

NASA Astrophysics Data System (ADS)

Ayi, Nathalie

2017-03-01

We provide a rigorous derivation of the linear Boltzmann equation without cut-off starting from a system of particles interacting via a potential with infinite range as the number of particles N goes to infinity under the Boltzmann-Grad scaling. More particularly, we will describe the motion of a tagged particle in a gas close to global equilibrium. The main difficulty in our context is that, due to the infinite range of the potential, a non-integrable singularity appears in the angular collision kernel, making no longer valid the single-use of Lanford's strategy. Our proof relies then on a combination of Lanford's strategy, of tools developed recently by Bodineau, Gallagher and Saint-Raymond to study the collision process, and of new duality arguments to study the additional terms associated with the long-range interaction, leading to some explicit weak estimates.
Exponential propagators for the Schrödinger equation with a time-dependent potential.

PubMed

Bader, Philipp; Blanes, Sergio; Kopylov, Nikita

2018-06-28

We consider the numerical integration of the Schrödinger equation with a time-dependent Hamiltonian given as the sum of the kinetic energy and a time-dependent potential. Commutator-free (CF) propagators are exponential propagators that have shown to be highly efficient for general time-dependent Hamiltonians. We propose new CF propagators that are tailored for Hamiltonians of the said structure, showing a considerably improved performance. We obtain new fourth- and sixth-order CF propagators as well as a novel sixth-order propagator that incorporates a double commutator that only depends on coordinates, so this term can be considered as cost-free. The algorithms require the computation of the action of exponentials on a vector similar to the well-known exponential midpoint propagator, and this is carried out using the Lanczos method. We illustrate the performance of the new methods on several numerical examples.
Analytical Wave Functions for Ultracold Collisions.

NASA Astrophysics Data System (ADS)

Cavagnero, M. J.

1998-05-01

Secular perturbation theory of long-range interactions(M. J. Cavagnero, PRA 50) 2841, (1994). has been generalized to yield accurate wave functions for near threshold processes, including low-energy scattering processes of interest at ultracold temperatures. In particular, solutions of Schrödinger's equation have been obtained for motion in the combined r-6, r-8, and r-10 potentials appropriate for describing an utlracold collision of two neutral ground state atoms. Scattering lengths and effective ranges appropriate to such potentials are readily calculated at distances comparable to the LeRoy radius, where exchange forces can be neglected, thereby eliminating the need to integrate Schrödinger's equation to large internuclear distances. Our method yields accurate base pair solutions well beyond the energy range of effective range theories, making possible the application of multichannel quantum defect theory [MQDT] and R-matrix methods to the study of ultracold collisions.
Band structure of an electron in a kind of periodic potentials with singularities

NASA Astrophysics Data System (ADS)

Hai, Kuo; Yu, Ning; Jia, Jiangping

2018-06-01

Noninteracting electrons in some crystals may experience periodic potentials with singularities and the governing Schrödinger equation cannot be defined at the singular points. The band structure of a single electron in such a one-dimensional crystal has been calculated by using an equivalent integral form of the Schrödinger equation. Both the perturbed and exact solutions are constructed respectively for the cases of a general singular weak-periodic system and its an exactly solvable version, Kronig-Penney model. Any one of them leads to a special band structure of the energy-dependent parameter, which results in an effective correction to the previous energy-band structure and gives a new explanation for forming the band structure. The used method and obtained results could be a valuable aid in the study of energy bands in solid-state physics, and the new explanation may trigger investigation to different physical mechanism of electron band structures.
Real-time and imaginary-time quantum hierarchal Fokker-Planck equations

NASA Astrophysics Data System (ADS)

Tanimura, Yoshitaka

2015-04-01

We consider a quantum mechanical system represented in phase space (referred to hereafter as "Wigner space"), coupled to a harmonic oscillator bath. We derive quantum hierarchal Fokker-Planck (QHFP) equations not only in real time but also in imaginary time, which represents an inverse temperature. This is an extension of a previous work, in which we studied a spin-boson system, to a Brownian system. It is shown that the QHFP in real time obtained from a correlated thermal equilibrium state of the total system possesses the same form as those obtained from a factorized initial state. A modified terminator for the hierarchal equations of motion is introduced to treat the non-Markovian case more efficiently. Using the imaginary-time QHFP, numerous thermodynamic quantities, including the free energy, entropy, internal energy, heat capacity, and susceptibility, can be evaluated for any potential. These equations allow us to treat non-Markovian, non-perturbative system-bath interactions at finite temperature. Through numerical integration of the real-time QHFP for a harmonic system, we obtain the equilibrium distributions, the auto-correlation function, and the first- and second-order response functions. These results are compared with analytically exact results for the same quantities. This provides a critical test of the formalism for a non-factorized thermal state and elucidates the roles of fluctuation, dissipation, non-Markovian effects, and system-bath coherence. Employing numerical solutions of the imaginary-time QHFP, we demonstrate the capability of this method to obtain thermodynamic quantities for any potential surface. It is shown that both types of QHFP equations can produce numerical results of any desired accuracy. The FORTRAN source codes that we developed, which allow for the treatment of Wigner space dynamics with any potential form (TanimuranFP15 and ImTanimuranFP15), are provided as the supplementary material.
Numerical integration of ordinary differential equations of various orders

NASA Technical Reports Server (NTRS)

Gear, C. W.

1969-01-01

Report describes techniques for the numerical integration of differential equations of various orders. Modified multistep predictor-corrector methods for general initial-value problems are discussed and new methods are introduced.
Neglected transport equations: extended Rankine-Hugoniot conditions and J -integrals for fracture

NASA Astrophysics Data System (ADS)

Davey, K.; Darvizeh, R.

2016-09-01

Transport equations in integral form are well established for analysis in continuum fluid dynamics but less so for solid mechanics. Four classical continuum mechanics transport equations exist, which describe the transport of mass, momentum, energy and entropy and thus describe the behaviour of density, velocity, temperature and disorder, respectively. However, one transport equation absent from the list is particularly pertinent to solid mechanics and that is a transport equation for movement, from which displacement is described. This paper introduces the fifth transport equation along with a transport equation for mechanical energy and explores some of the corollaries resulting from the existence of these equations. The general applicability of transport equations to discontinuous physics is discussed with particular focus on fracture mechanics. It is well established that bulk properties can be determined from transport equations by application of a control volume methodology. A control volume can be selected to be moving, stationary, mass tracking, part of, or enclosing the whole system domain. The flexibility of transport equations arises from their ability to tolerate discontinuities. It is insightful thus to explore the benefits derived from the displacement and mechanical energy transport equations, which are shown to be beneficial for capturing the physics of fracture arising from a displacement discontinuity. Extended forms of the Rankine-Hugoniot conditions for fracture are established along with extended forms of J -integrals.
Transverse Beam Dynamics in the Modified Betatron.

DTIC Science & Technology

1982-03-01

charge, m is the electron rest mass, and c is the speed of light . Self field effects will modify Eq. (1) however. A nonneutral current ring produces both a...magnetic flux or stream func- tion *P(p.) rA, where A, is the usual vector potential. The equations for 4 and 1 are 17 CHERNJN AND SPRANGLE p-[ l 2 - ( o...8217- 4). (A-21) m m 2 Using Eq. (A-21) in Eq. (A-20) the resulting integrals are elementary. The result, for the vector potential inside the beam is Ask
A Tensor-Train accelerated solver for integral equations in complex geometries

NASA Astrophysics Data System (ADS)

Corona, Eduardo; Rahimian, Abtin; Zorin, Denis

2017-04-01

We present a framework using the Quantized Tensor Train (QTT) decomposition to accurately and efficiently solve volume and boundary integral equations in three dimensions. We describe how the QTT decomposition can be used as a hierarchical compression and inversion scheme for matrices arising from the discretization of integral equations. For a broad range of problems, computational and storage costs of the inversion scheme are extremely modest O (log ⁡ N) and once the inverse is computed, it can be applied in O (Nlog ⁡ N) . We analyze the QTT ranks for hierarchically low rank matrices and discuss its relationship to commonly used hierarchical compression techniques such as FMM and HSS. We prove that the QTT ranks are bounded for translation-invariant systems and argue that this behavior extends to non-translation invariant volume and boundary integrals. For volume integrals, the QTT decomposition provides an efficient direct solver requiring significantly less memory compared to other fast direct solvers. We present results demonstrating the remarkable performance of the QTT-based solver when applied to both translation and non-translation invariant volume integrals in 3D. For boundary integral equations, we demonstrate that using a QTT decomposition to construct preconditioners for a Krylov subspace method leads to an efficient and robust solver with a small memory footprint. We test the QTT preconditioners in the iterative solution of an exterior elliptic boundary value problem (Laplace) formulated as a boundary integral equation in complex, multiply connected geometries.
Feynman path integral application on deriving black-scholes diffusion equation for european option pricing

NASA Astrophysics Data System (ADS)

Utama, Briandhika; Purqon, Acep

2016-08-01

Path Integral is a method to transform a function from its initial condition to final condition through multiplying its initial condition with the transition probability function, known as propagator. At the early development, several studies focused to apply this method for solving problems only in Quantum Mechanics. Nevertheless, Path Integral could also apply to other subjects with some modifications in the propagator function. In this study, we investigate the application of Path Integral method in financial derivatives, stock options. Black-Scholes Model (Nobel 1997) was a beginning anchor in Option Pricing study. Though this model did not successfully predict option price perfectly, especially because its sensitivity for the major changing on market, Black-Scholes Model still is a legitimate equation in pricing an option. The derivation of Black-Scholes has a high difficulty level because it is a stochastic partial differential equation. Black-Scholes equation has a similar principle with Path Integral, where in Black-Scholes the share's initial price is transformed to its final price. The Black-Scholes propagator function then derived by introducing a modified Lagrange based on Black-Scholes equation. Furthermore, we study the correlation between path integral analytical solution and Monte-Carlo numeric solution to find the similarity between this two methods.
An integral equation-based numerical solver for Taylor states in toroidal geometries

NASA Astrophysics Data System (ADS)

O'Neil, Michael; Cerfon, Antoine J.

2018-04-01

We present an algorithm for the numerical calculation of Taylor states in toroidal and toroidal-shell geometries using an analytical framework developed for the solution to the time-harmonic Maxwell equations. Taylor states are a special case of what are known as Beltrami fields, or linear force-free fields. The scheme of this work relies on the generalized Debye source representation of Maxwell fields and an integral representation of Beltrami fields which immediately yields a well-conditioned second-kind integral equation. This integral equation has a unique solution whenever the Beltrami parameter λ is not a member of a discrete, countable set of resonances which physically correspond to spontaneous symmetry breaking. Several numerical examples relevant to magnetohydrodynamic equilibria calculations are provided. Lastly, our approach easily generalizes to arbitrary geometries, both bounded and unbounded, and of varying genus.
CALL FOR PAPERS: Special issue on Symmetries and Integrability of Difference Equations

NASA Astrophysics Data System (ADS)

Doliwa, Adam; Korhonen, Risto; Lafortune, Stephane

2006-10-01

This is a call for contributions to a special issue of Journal of Physics A: Mathematical and General entitled `Special issue on Symmetries and Integrability of Difference Equations' as featured at the SIDE VII meeting held during July 2006 in Melbourne (http://web.maths.unsw.edu.au/%7Eschief/side/side.html). Participants at that meeting, as well as other researchers working in the field of difference equations and discrete systems, are invited to submit a research paper to this issue. This meeting was the seventh of a series of biennial meetings devoted to the study of integrable difference equations and related topics. The notion of integrability was first introduced in the 19th century in the context of classical mechanics with the definition of Liouville integrability for Hamiltonian flows. Since then, several notions of integrability have been introduced for partial and ordinary differential equations. Closely related to integrability theory is the symmetry analysis of nonlinear evolution equations. Symmetry analysis takes advantage of the Lie group structure of a given equation to study its properties. Together, integrability theory and symmetry analysis provide the main method by which nonlinear evolution equations can be solved explicitly. Difference equations, just as differential equations, are important in numerous fields of science and have a wide variety of applications in such areas as: mathematical physics, computer visualization, numerical analysis, mathematical biology, economics, combinatorics, quantum field theory, etc. It is thus crucial to develop tools to study and solve difference equations. While the theory of symmetry and integrability for differential equations is now well-established, this is not yet the case for discrete equations. The situation has undergone impressive development in recent years and has affected a broad range of fields, including the theory of special functions, quantum integrable systems, numerical analysis, cellular automata, representations of quantum groups, symmetries of difference equations, discrete (difference) geometry, etc. Consequently, the aim of the special issue is to benefit from the occasion offered by the SIDE VII meeting to provide a collection of papers which represent the state-of-the-art knowledge for studying integrability and symmetry properties of difference equations. Scope of the special issue The special issue will feature papers which deal with themes that were covered by the SIDE VII Conference. These are •Integrability testing •Discrete geometry and visualization •Laurent phenomena and cluster algebras •Ultra-discrete systems •Random matrix theory •Algebraic-geometric approaches to integrability •Yang-Baxter equations •Quantum and classical integrable systems •Difference Galois theory Editorial policy •The subject of the paper should relate to the subject of the meeting. The Guest Editors will reserve the right to judge whether a contribution fits the scope of the topic of the special issue. •Contributions will be refereed and processed according to the usual procedure of the journal. •Conference papers may be based on already published work but should either •contain significant additional new results and/or insights or •give a survey of the present state of the art, a critical assessment of the present understanding of a topic, and a discussion of open problems. •Papers submitted by non-participants should be original and contain substantial new results. Guidelines for preparation of contributions • The deadline for contributed papers will be 15 January 2007. •There is a page limit of 16 printed pages (approximately 9600 words) per contribution. For submitted papers exceeding this length the Guest Editors reserve the right to request a reduction in length. Further advice on document preparation can be found at www.iop.org/Journals/jphysa •Contributions to the special issue should if possible be submitted electronically by web upload at www.iop.org/Journals/jphysa, or by email to jphysa@iop.org, quoting 'J. Phys. A Special Issue: SIDE VII'. Submissions should ideally be in standard LaTeX form; we are, however, able to accept most formats including Microsoft Word. Please see the website for further information on electronic submissions. •Authors unable to submit electronically may send hard-copy contributions to: Publishing Administrators, Journal of Physics A, Institute of Physics Publishing, Dirac House, Temple Back, Bristol BS1 6BE, UK, enclosing electronic code on floppy disk if available and quoting 'J. Phys. A Special Issue: SIDE VII'. • All contributions should be accompanied by a read-me file or covering letter giving the postal and email address for correspondence. The Publishing Office should be notified of any subsequent change of address. •The special issue will be published in the paper and online version of the journal. The corresponding author of each contribution will receive a complimentary copy of the issue.
A new deflection solution and application of a fiber Bragg grating-based inclinometer for monitoring internal displacements in slopes

NASA Astrophysics Data System (ADS)

Zheng, Yong; Huang, Da; Shi, Lin

2018-05-01

Landslide monitoring is critical for predicting the stability of slopes to ensure the safety of life and property. Considering the potential advantages of fiber Bragg gratings (FBGs), such as immunity to electromagnetic interference, resistance to hostile environments, light weight, and high measurement precision and real time response, a self-designed, FBG-based in situ inclinometer combining a traditional inclinometer and FBG technology was designed to monitor the inner deformation of a slope. In practical landslide monitoring, the inclinometer can be regarded as a cantilever beam with one end fixed. Based on the deflection curve equation of a normal beam and the composite Simpson integral equation, a theoretical deflection equation of the FBG-based inclinometer versus longitudinal strain was established. A FBG-based inclinometer was fabricated and calibrated in the laboratory and a calibration strain sensitivity coefficient was obtained. The results of calibration tests show that the displacements measured by dial indicators are in good agreement with the theoretical displacements calculated using the proposed equation. A series of FBG-based inclinometers were installed into three vertical boreholes located at different points on the profile of an actual reinforced slope. The in situ monitoring results show that the FBG-based inclinometer can effectively capture the real-time internal displacements and potential sliding surface of the slope, proving the validity of the proposed theoretical equation as well the reliability and practicality of the proposed FBG-based inclinometer in engineering applications.
On Reductions of the Hirota-Miwa Equation

NASA Astrophysics Data System (ADS)

Hone, Andrew N. W.; Kouloukas, Theodoros E.; Ward, Chloe

2017-07-01

The Hirota-Miwa equation (also known as the discrete KP equation, or the octahedron recurrence) is a bilinear partial difference equation in three independent variables. It is integrable in the sense that it arises as the compatibility condition of a linear system (Lax pair). The Hirota-Miwa equation has infinitely many reductions of plane wave type (including a quadratic exponential gauge transformation), defined by a triple of integers or half-integers, which produce bilinear ordinary difference equations of Somos/Gale-Robinson type. Here it is explained how to obtain Lax pairs and presymplectic structures for these reductions, in order to demonstrate Liouville integrability of some associated maps, certain of which are related to reductions of discrete Toda and discrete KdV equations.
Channel surface plasmons in a continuous and flat graphene sheet

NASA Astrophysics Data System (ADS)

Chaves, A. J.; Peres, N. M. R.; da Costa, D. R.; Farias, G. A.

2018-05-01

We derive an integral equation describing surface-plasmon polaritons in graphene deposited on a substrate with a planar surface and a dielectric protrusion in the opposite surface of the dielectric slab. We show that the problem is mathematically equivalent to the solution of a Fredholm equation, which we solve exactly. In addition, we show that the dispersion relation of the channel surface plasmons is determined by the geometric parameters of the protrusion alone. We also show that such a system supports both even and odd modes. We give the electrostatic potential and the intensity plot of the electrostatic field, which clearly show the transverse localized nature of the surface plasmons in a continuous and flat graphene sheet.
Angular distribution of scission neutrons studied with time-dependent Schrödinger equation

NASA Astrophysics Data System (ADS)

Wada, Takahiro; Asano, Tomomasa; Carjan, Nicolae

2018-03-01

We investigate the angular distribution of scission neutrons taking account of the effects of fission fragments. The time evolution of the wave function of the scission neutron is obtained by integrating the time-dependent Schrodinger equation numerically. The effects of the fission fragments are taken into account by means of the optical potentials. The angular distribution is strongly modified by the presence of the fragments. In the case of asymmetric fission, it is found that the heavy fragment has stronger effects. Dependence on the initial distribution and on the properties of fission fragments is discussed. We also discuss on the treatment of the boundary to avoid artificial reflections
Properties of a soft-core model of methanol: An integral equation theory and computer simulation study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huš, Matej; Urbic, Tomaz, E-mail: tomaz.urbic@fkkt.uni-lj.si; Munaò, Gianmarco

Thermodynamic and structural properties of a coarse-grained model of methanol are examined by Monte Carlo simulations and reference interaction site model (RISM) integral equation theory. Methanol particles are described as dimers formed from an apolar Lennard-Jones sphere, mimicking the methyl group, and a sphere with a core-softened potential as the hydroxyl group. Different closure approximations of the RISM theory are compared and discussed. The liquid structure of methanol is investigated by calculating site-site radial distribution functions and static structure factors for a wide range of temperatures and densities. Results obtained show a good agreement between RISM and Monte Carlo simulations.more » The phase behavior of methanol is investigated by employing different thermodynamic routes for the calculation of the RISM free energy, drawing gas-liquid coexistence curves that match the simulation data. Preliminary indications for a putative second critical point between two different liquid phases of methanol are also discussed.« less
Rapid analysis of scattering from periodic dielectric structures using accelerated Cartesian expansions

DOE PAGES

Baczewski, Andrew David; Miller, Nicholas C.; Shanker, Balasubramaniam

2012-03-22

Here, the analysis of fields in periodic dielectric structures arise in numerous applications of recent interest, ranging from photonic bandgap structures and plasmonically active nanostructures to metamaterials. To achieve an accurate representation of the fields in these structures using numerical methods, dense spatial discretization is required. This, in turn, affects the cost of analysis, particularly for integral-equation-based methods, for which traditional iterative methods require Ο(Ν 2) operations, Ν being the number of spatial degrees of freedom. In this paper, we introduce a method for the rapid solution of volumetric electric field integral equations used in the analysis of doubly periodicmore » dielectric structures. The crux of our method is the accelerated Cartesian expansion algorithm, which is used to evaluate the requisite potentials in Ο(Ν) cost. Results are provided that corroborate our claims of acceleration without compromising accuracy, as well as the application of our method to a number of compelling photonics applications.« less
Enhancement of specific absorption rate in lossy dielectric objects using a slab of left-handed material.

PubMed

Zhao, Lei; Cui, Tie Jun

2005-12-01

An enhancement of the specific absorption rate (SAR) inside a lossy dielectric object has been investigated theoretically based on a slab of left-handed medium (LHM). In order to make an accurate analysis of SAR distribution, a proper Green's function involved in the LHM slab is proposed, from which an integral equation for the electric field inside the dielectric object is derived. Such an integral equation has been solved accurately and efficiently using the conjugate gradient method and the fast Fourier transform. We have made a lot of numerical experiments on the SAR distributions inside the dielectric object excited by a line source with and without the LHM slab. Numerical experiments show that SAR can be enhanced tremendously when the LHM slab is involved due to the proper usage of strong surface waves, which will be helpful in the potential biomedical applications for hyperthermia. The physical insight for such a phenomenon has also been discussed.
Soliton solution and gauge equivalence for an integrable nonlocal complex modified Korteweg-de Vries equation

NASA Astrophysics Data System (ADS)

Ma, Li-Yuan; Shen, Shou-Feng; Zhu, Zuo-Nong

2017-10-01

In this paper, we prove that an integrable nonlocal complex modified Korteweg-de Vries (mKdV) equation introduced by Ablowitz and Musslimani [Nonlinearity 29, 915-946 (2016)] is gauge equivalent to a spin-like model. From the gauge equivalence, one can see that there exists significant difference between the nonlocal complex mKdV equation and the classical complex mKdV equation. Through constructing the Darboux transformation for nonlocal complex mKdV equation, a variety of exact solutions including dark soliton, W-type soliton, M-type soliton, and periodic solutions are derived.

Solvability of a Nonlinear Integral Equation in Dynamical String Theory

NASA Astrophysics Data System (ADS)

Khachatryan, A. Kh.; Khachatryan, Kh. A.

2018-04-01

We investigate an integral equation of the convolution type with a cubic nonlinearity on the entire real line. This equation has a direct application in open-string field theory and in p-adic string theory and describes nonlocal interactions. We prove that there exists a one-parameter family of bounded monotonic solutions and calculate the limits of solutions constructed at infinity.
Modelling gas dynamics in 1D ducts with abrupt area change

NASA Astrophysics Data System (ADS)

Menina, R.; Saurel, R.; Zereg, M.; Houas, L.

2011-09-01

Most gas dynamic computations in industrial ducts are done in one dimension with cross-section-averaged Euler equations. This poses a fundamental difficulty as soon as geometrical discontinuities are present. The momentum equation contains a non-conservative term involving a surface pressure integral, responsible for momentum loss. Definition of this integral is very difficult from a mathematical standpoint as the flow may contain other discontinuities (shocks, contact discontinuities). From a physical standpoint, geometrical discontinuities induce multidimensional vortices that modify the surface pressure integral. In the present paper, an improved 1D flow model is proposed. An extra energy (or entropy) equation is added to the Euler equations expressing the energy and turbulent pressure stored in the vortices generated by the abrupt area variation. The turbulent energy created by the flow-area change interaction is determined by a specific estimate of the surface pressure integral. Model's predictions are compared with 2D-averaged results from numerical solution of the Euler equations. Comparison with shock tube experiments is also presented. The new 1D-averaged model improves the conventional cross-section-averaged Euler equations and is able to reproduce the main flow features.
Some integrable maps and their Hirota bilinear forms

NASA Astrophysics Data System (ADS)

Hone, A. N. W.; Kouloukas, T. E.; Quispel, G. R. W.

2018-01-01

We introduce a two-parameter family of birational maps, which reduces to a family previously found by Demskoi, Tran, van der Kamp and Quispel (DTKQ) when one of the parameters is set to zero. The study of the singularity confinement pattern for these maps leads to the introduction of a tau function satisfying a homogeneous recurrence which has the Laurent property, and the tropical (or ultradiscrete) analogue of this homogeneous recurrence confirms the quadratic degree growth found empirically by Demskoi et al. We prove that the tau function also satisfies two different bilinear equations, each of which is a reduction of the Hirota-Miwa equation (also known as the discrete KP equation, or the octahedron recurrence). Furthermore, these bilinear equations are related to reductions of particular two-dimensional integrable lattice equations, of discrete KdV or discrete Toda type. These connections, as well as the cluster algebra structure of the bilinear equations, allow a direct construction of Poisson brackets, Lax pairs and first integrals for the birational maps. As a consequence of the latter results, we show how each member of the family can be lifted to a system that is integrable in the Liouville sense, clarifying observations made previously in the original DTKQ case.
Applying integrals of motion to the numerical solution of differential equations

NASA Technical Reports Server (NTRS)

Vezewski, D. J.

1980-01-01

A method is developed for using the integrals of systems of nonlinear, ordinary, differential equations in a numerical integration process to control the local errors in these integrals and reduce the global errors of the solution. The method is general and can be applied to either scalar or vector integrals. A number of example problems, with accompanying numerical results, are used to verify the analysis and support the conjecture of global error reduction.
Sixth-Order Lie Group Integrators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Forest, E.

1990-03-01

In this paper we present the coefficients of several 6th order symplectic integrator of the type developed by R. Ruth. To get these results we fully exploit the connection with Lie groups. This integrator, as well as all the explicit integrators of Ruth, may be used in any equation where some sort of Lie bracket is preserved. In fact, if the Lie operator governing the equation of motion is separable into two solvable parts, the Ruth integrators can be used.
Applying integrals of motion to the numerical solution of differential equations

NASA Technical Reports Server (NTRS)

Jezewski, D. J.

1979-01-01

A method is developed for using the integrals of systems of nonlinear, ordinary differential equations in a numerical integration process to control the local errors in these integrals and reduce the global errors of the solution. The method is general and can be applied to either scaler or vector integrals. A number of example problems, with accompanying numerical results, are used to verify the analysis and support the conjecture of global error reduction.
Unified connected theory of few-body reaction mechanisms in N-body scattering theory

NASA Technical Reports Server (NTRS)

Polyzou, W. N.; Redish, E. F.

1978-01-01

A unified treatment of different reaction mechanisms in nonrelativistic N-body scattering is presented. The theory is based on connected kernel integral equations that are expected to become compact for reasonable constraints on the potentials. The operators T/sub +-//sup ab/(A) are approximate transition operators that describe the scattering proceeding through an arbitrary reaction mechanism A. These operators are uniquely determined by a connected kernel equation and satisfy an optical theorem consistent with the choice of reaction mechanism. Connected kernel equations relating T/sub +-//sup ab/(A) to the full T/sub +-//sup ab/ allow correction of the approximate solutions for any ignored process to any order. This theory gives a unified treatment of all few-body reaction mechanisms with the same dynamic simplicity of a model calculation, but can include complicated reaction mechanisms involving overlapping configurations where it is difficult to formulate models.
Theoretical model for thin ferroelectric films and the multilayer structures based on them

NASA Astrophysics Data System (ADS)

Starkov, A. S.; Pakhomov, O. V.; Starkov, I. A.

2013-06-01

A modified Weiss mean-field theory is used to study the dependence of the properties of a thin ferroelectric film on its thickness. The possibility of introducing gradient terms into the thermodynamic potential is analyzed using the calculus of variations. An integral equation is introduced to generalize the well-known Langevin equation to the case of the boundaries of a ferroelectric. An analysis of this equation leads to the existence of a transition layer at the interface between ferroelectrics or a ferroelectric and a dielectric. The permittivity of this layer is shown to depend on the electric field direction even if the ferroelectrics in contact are homogeneous. The results obtained in terms of the Weiss model are compared with the results of the models based on the correlation effect and the presence of a dielectric layer at the boundary of a ferroelectric and with experimental data.
The terminal area simulation system. Volume 1: Theoretical formulation

NASA Technical Reports Server (NTRS)

Proctor, F. H.

1987-01-01

A three-dimensional numerical cloud model was developed for the general purpose of studying convective phenomena. The model utilizes a time splitting integration procedure in the numerical solution of the compressible nonhydrostatic primitive equations. Turbulence closure is achieved by a conventional first-order diagnostic approximation. Open lateral boundaries are incorporated which minimize wave reflection and which do not induce domain-wide mass trends. Microphysical processes are governed by prognostic equations for potential temperature water vapor, cloud droplets, ice crystals, rain, snow, and hail. Microphysical interactions are computed by numerous Orville-type parameterizations. A diagnostic surface boundary layer is parameterized assuming Monin-Obukhov similarity theory. The governing equation set is approximated on a staggered three-dimensional grid with quadratic-conservative central space differencing. Time differencing is approximated by the second-order Adams-Bashforth method. The vertical grid spacing may be either linear or stretched. The model domain may translate along with a convective cell, even at variable speeds.
Efficient Solution of Three-Dimensional Problems of Acoustic and Electromagnetic Scattering by Open Surfaces

NASA Technical Reports Server (NTRS)

Turc, Catalin; Anand, Akash; Bruno, Oscar; Chaubell, Julian

2011-01-01

We present a computational methodology (a novel Nystrom approach based on use of a non-overlapping patch technique and Chebyshev discretizations) for efficient solution of problems of acoustic and electromagnetic scattering by open surfaces. Our integral equation formulations (1) Incorporate, as ansatz, the singular nature of open-surface integral-equation solutions, and (2) For the Electric Field Integral Equation (EFIE), use analytical regularizes that effectively reduce the number of iterations required by iterative linear-algebra solution based on Krylov-subspace iterative solvers.
Thermal noise due to surface-charge effects within the Debye layer of endogenous structures in dendrites.

PubMed

Poznanski, Roman R

2010-02-01

An assumption commonly used in cable theory is revised by taking into account electrical amplification due to intracellular capacitive effects in passive dendritic cables. A generalized cable equation for a cylindrical volume representation of a dendritic segment is derived from Maxwell's equations under assumptions: (i) the electric-field polarization is restricted longitudinally along the cable length; (ii) extracellular isopotentiality; (iii) quasielectrostatic conditions; and (iv) homogeneous medium with constant conductivity and permittivity. The generalized cable equation is identical to Barenblatt's equation arising in the theory of infiltration in fissured strata with a known analytical solution expressed in terms of a definite integral involving a modified Bessel function and the solution to a linear one-dimensional classical cable equation. Its solution is used to determine the impact of thermal noise on voltage attenuation with distance at any particular time. A regular perturbation expansion for the membrane potential about the linear one-dimensional classical cable equation solution is derived in terms of a Green's function in order to describe the dynamics of free charge within the Debye layer of endogenous structures in passive dendritic cables. The asymptotic value of the first perturbative term is explicitly evaluated for small values of time to predict how the slowly fluctuating (in submillisecond range) electric field attributed to intracellular capacitive effects alters the amplitude of the membrane potential. It was found that capacitive effects are almost negligible for cables with electrotonic lengths L>0.5 , contributes up to 10% of the signal for cables with electrotonic lengths in the range between 0.25
Numerical integration of the extended variable generalized Langevin equation with a positive Prony representable memory kernel.

PubMed

Baczewski, Andrew D; Bond, Stephen D

2013-07-28

Generalized Langevin dynamics (GLD) arise in the modeling of a number of systems, ranging from structured fluids that exhibit a viscoelastic mechanical response, to biological systems, and other media that exhibit anomalous diffusive phenomena. Molecular dynamics (MD) simulations that include GLD in conjunction with external and/or pairwise forces require the development of numerical integrators that are efficient, stable, and have known convergence properties. In this article, we derive a family of extended variable integrators for the Generalized Langevin equation with a positive Prony series memory kernel. Using stability and error analysis, we identify a superlative choice of parameters and implement the corresponding numerical algorithm in the LAMMPS MD software package. Salient features of the algorithm include exact conservation of the first and second moments of the equilibrium velocity distribution in some important cases, stable behavior in the limit of conventional Langevin dynamics, and the use of a convolution-free formalism that obviates the need for explicit storage of the time history of particle velocities. Capability is demonstrated with respect to accuracy in numerous canonical examples, stability in certain limits, and an exemplary application in which the effect of a harmonic confining potential is mapped onto a memory kernel.
On the complete and partial integrability of non-Hamiltonian systems

NASA Astrophysics Data System (ADS)

Bountis, T. C.; Ramani, A.; Grammaticos, B.; Dorizzi, B.

1984-11-01

The methods of singularity analysis are applied to several third order non-Hamiltonian systems of physical significance including the Lotka-Volterra equations, the three-wave interaction and the Rikitake dynamo model. Complete integrability is defined and new completely integrable systems are discovered by means of the Painlevé property. In all these cases we obtain integrals, which reduce the equations either to a final quadrature or to an irreducible second order ordinary differential equation (ODE) solved by Painlevé transcendents. Relaxing the Painlevé property we find many partially integrable cases whose movable singularities are poles at leading order, with In( t- t0) terms entering at higher orders. In an Nth order, generalized Rössler model a precise relation is established between the partial fulfillment of the Painlevé conditions and the existence of N - 2 integrals of the motion.
Explicit integration of Friedmann's equation with nonlinear equations of state

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Shouxin; Gibbons, Gary W.; Yang, Yisong, E-mail: chensx@henu.edu.cn, E-mail: gwg1@damtp.cam.ac.uk, E-mail: yisongyang@nyu.edu

2015-05-01

In this paper we study the integrability of the Friedmann equations, when the equation of state for the perfect-fluid universe is nonlinear, in the light of the Chebyshev theorem. A series of important, yet not previously touched, problems will be worked out which include the generalized Chaplygin gas, two-term energy density, trinomial Friedmann, Born-Infeld, two-fluid models, and Chern-Simons modified gravity theory models. With the explicit integration, we are able to understand exactly the roles of the physical parameters in various models play in the cosmological evolution which may also offer clues to a profound understanding of the problems in generalmore » settings. For example, in the Chaplygin gas universe, a few integrable cases lead us to derive a universal formula for the asymptotic exponential growth rate of the scale factor, of an explicit form, whether the Friedmann equation is integrable or not, which reveals the coupled roles played by various physical sectors and it is seen that, as far as there is a tiny presence of nonlinear matter, conventional linear matter makes contribution to the dark matter, which becomes significant near the phantom divide line. The Friedmann equations also arise in areas of physics not directly related to cosmology. We provide some examples ranging from geometric optics and central orbits to soap films and the shape of glaciated valleys to which our results may be applied.« less
Numerical methods for engine-airframe integration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Murthy, S.N.B.; Paynter, G.C.

1986-01-01

Various papers on numerical methods for engine-airframe integration are presented. The individual topics considered include: scientific computing environment for the 1980s, overview of prediction of complex turbulent flows, numerical solutions of the compressible Navier-Stokes equations, elements of computational engine/airframe integrations, computational requirements for efficient engine installation, application of CAE and CFD techniques to complete tactical missile design, CFD applications to engine/airframe integration, and application of a second-generation low-order panel methods to powerplant installation studies. Also addressed are: three-dimensional flow analysis of turboprop inlet and nacelle configurations, application of computational methods to the design of large turbofan engine nacelles, comparison ofmore » full potential and Euler solution algorithms for aeropropulsive flow field computations, subsonic/transonic, supersonic nozzle flows and nozzle integration, subsonic/transonic prediction capabilities for nozzle/afterbody configurations, three-dimensional viscous design methodology of supersonic inlet systems for advanced technology aircraft, and a user's technology assessment.« less
Social problem solving in chronic pain: An integrative model of coping predicts mental health in chronic pain patients.

PubMed

Suso-Ribera, Carlos; Camacho-Guerrero, Laura; McCracken, Lance M; Maydeu-Olivares, Alberto; Gallardo-Pujol, David

2016-06-01

Despite several models of coping have been proposed in chronic pain, research is not integrative and has not yet identified a reliable set of beneficial coping strategies. We intend to offer a comprehensive view of coping using the social problem-solving model. Participants were 369 chronic pain patients (63.78% women; mean age 58.89 years; standard deviation = 15.12 years). Correlation analyses and the structural equation model for mental health revealed potentially beneficial and harmful problem-solving components. This integrative perspective on general coping could be used to promote changes in the way patients deal with stressful conditions other than pain. © The Author(s) 2014.
A regularization method for extrapolation of solar potential magnetic fields

NASA Technical Reports Server (NTRS)

Gary, G. A.; Musielak, Z. E.

1992-01-01

The mathematical basis of a Tikhonov regularization method for extrapolating the chromospheric-coronal magnetic field using photospheric vector magnetograms is discussed. The basic techniques show that the Cauchy initial value problem can be formulated for potential magnetic fields. The potential field analysis considers a set of linear, elliptic partial differential equations. It is found that, by introducing an appropriate smoothing of the initial data of the Cauchy potential problem, an approximate Fourier integral solution is found, and an upper bound to the error in the solution is derived. This specific regularization technique, which is a function of magnetograph measurement sensitivities, provides a method to extrapolate the potential magnetic field above an active region into the chromosphere and low corona.
Integrability of systems of two second-order ordinary differential equations admitting four-dimensional Lie algebras

PubMed Central

Gazizov, R. K.

2017-01-01

We suggest an algorithm for integrating systems of two second-order ordinary differential equations with four symmetries. In particular, if the admitted transformation group has two second-order differential invariants, the corresponding system can be integrated by quadratures using invariant representation and the operator of invariant differentiation. Otherwise, the systems reduce to partially uncoupled forms and can also be integrated by quadratures. PMID:28265184
Integrability of systems of two second-order ordinary differential equations admitting four-dimensional Lie algebras.

PubMed

Gainetdinova, A A; Gazizov, R K

2017-01-01

We suggest an algorithm for integrating systems of two second-order ordinary differential equations with four symmetries. In particular, if the admitted transformation group has two second-order differential invariants, the corresponding system can be integrated by quadratures using invariant representation and the operator of invariant differentiation. Otherwise, the systems reduce to partially uncoupled forms and can also be integrated by quadratures.
A multi-domain spectral method for time-fractional differential equations

NASA Astrophysics Data System (ADS)

Chen, Feng; Xu, Qinwu; Hesthaven, Jan S.

2015-07-01

This paper proposes an approach for high-order time integration within a multi-domain setting for time-fractional differential equations. Since the kernel is singular or nearly singular, two main difficulties arise after the domain decomposition: how to properly account for the history/memory part and how to perform the integration accurately. To address these issues, we propose a novel hybrid approach for the numerical integration based on the combination of three-term-recurrence relations of Jacobi polynomials and high-order Gauss quadrature. The different approximations used in the hybrid approach are justified theoretically and through numerical examples. Based on this, we propose a new multi-domain spectral method for high-order accurate time integrations and study its stability properties by identifying the method as a generalized linear method. Numerical experiments confirm hp-convergence for both time-fractional differential equations and time-fractional partial differential equations.

Differential Galois theory and non-integrability of planar polynomial vector fields

NASA Astrophysics Data System (ADS)

Acosta-Humánez, Primitivo B.; Lázaro, J. Tomás; Morales-Ruiz, Juan J.; Pantazi, Chara

2018-06-01

We study a necessary condition for the integrability of the polynomials vector fields in the plane by means of the differential Galois Theory. More concretely, by means of the variational equations around a particular solution it is obtained a necessary condition for the existence of a rational first integral. The method is systematic starting with the first order variational equation. We illustrate this result with several families of examples. A key point is to check whether a suitable primitive is elementary or not. Using a theorem by Liouville, the problem is equivalent to the existence of a rational solution of a certain first order linear equation, the Risch equation. This is a classical problem studied by Risch in 1969, and the solution is given by the "Risch algorithm". In this way we point out the connection of the non integrability with some higher transcendent functions, like the error function.
Propagation Path Effects for Rayleigh and Love Waves

DTIC Science & Technology

1981-05-01

The method finally selected is similar in some respects to the integral equation formulation. It is the Parker- Oldenburg -iuestis method (Parker, 1972...REGIONAL ANOMALIE S BASIN MODEL DEPTH RESIDUALS AND STRIPPING BOREHOLE DATA PROCESS DATA mots" 12 THE PARKER- OLDENBURG -HUESTIS POTENTIAL INVERSION Parker...series convergLnce and other properties are given by Parker (1972), Parker and Huestis (1974), and Oldenburg (1974). A discussion of this theory from
Structure of Poly(dialkylsiloxane) Melts: Comparisons of Wide-Angle X-ray Scattering, Molecular Dynamics Simulations, and Integral Equation Theory

DOE PAGES

Habenschuss, Anton; Tsige, Mesfin; Curro, John G.; ...

2007-08-21

Here, wide-angle X-ray scattering, molecular dynamics (MD) simulations, and integral equation theory are used to study the structure of poly(diethylsiloxane) (PDES), poly(ethylmethylsiloxane) (PEMS), and poly(dimethylsiloxane) (PDMS) melts. The structure functions of PDES, PEMS, and PDMS are similar, but systematic trends in the intermolecular packing are observed. The local intramolecular structure is extracted from the experimental structure functions. The bond distances and bond angles obtained, including the large Si-O-Si angle, are in good agreement with the explicit atom (EA) and united atom (UA) potentials used in the simulations and theory and from other sources. Very good agreement is found between themore » MD simulations using the EA potentials and the experimental scattering results. Good agreement is also found between the polymer reference interaction site model (PRISM theory) and the UA MD simulations. The intermolecular structure is examined experimentally using an appropriately weighted radial distribution function and with theory and simulation using intermolecular site/site pair correlation functions. Finally, experiment, simulation, and theory show systematic increases in the chain/chain packing distances in the siloxanes as the number of sites in the pendant side chains is increased.« less
Complex quantum Hamilton-Jacobi equation with Bohmian trajectories: Application to the photodissociation dynamics of NOCl

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chou, Chia-Chun, E-mail: ccchou@mx.nthu.edu.tw

2014-03-14

The complex quantum Hamilton-Jacobi equation-Bohmian trajectories (CQHJE-BT) method is introduced as a synthetic trajectory method for integrating the complex quantum Hamilton-Jacobi equation for the complex action function by propagating an ensemble of real-valued correlated Bohmian trajectories. Substituting the wave function expressed in exponential form in terms of the complex action into the time-dependent Schrödinger equation yields the complex quantum Hamilton-Jacobi equation. We transform this equation into the arbitrary Lagrangian-Eulerian version with the grid velocity matching the flow velocity of the probability fluid. The resulting equation describing the rate of change in the complex action transported along Bohmian trajectories is simultaneouslymore » integrated with the guidance equation for Bohmian trajectories, and the time-dependent wave function is readily synthesized. The spatial derivatives of the complex action required for the integration scheme are obtained by solving one moving least squares matrix equation. In addition, the method is applied to the photodissociation of NOCl. The photodissociation dynamics of NOCl can be accurately described by propagating a small ensemble of trajectories. This study demonstrates that the CQHJE-BT method combines the considerable advantages of both the real and the complex quantum trajectory methods previously developed for wave packet dynamics.« less
An integral formulation for wave propagation on weakly non-uniform potential flows

NASA Astrophysics Data System (ADS)

Mancini, Simone; Astley, R. Jeremy; Sinayoko, Samuel; Gabard, Gwénaël; Tournour, Michel

2016-12-01

An integral formulation for acoustic radiation in moving flows is presented. It is based on a potential formulation for acoustic radiation on weakly non-uniform subsonic mean flows. This work is motivated by the absence of suitable kernels for wave propagation on non-uniform flow. The integral solution is formulated using a Green's function obtained by combining the Taylor and Lorentz transformations. Although most conventional approaches based on either transform solve the Helmholtz problem in a transformed domain, the current Green's function and associated integral equation are derived in the physical space. A dimensional error analysis is developed to identify the limitations of the current formulation. Numerical applications are performed to assess the accuracy of the integral solution. It is tested as a means of extrapolating a numerical solution available on the outer boundary of a domain to the far field, and as a means of solving scattering problems by rigid surfaces in non-uniform flows. The results show that the error associated with the physical model deteriorates with increasing frequency and mean flow Mach number. However, the error is generated only in the domain where mean flow non-uniformities are significant and is constant in regions where the flow is uniform.
Enhanced systems for measuring and monitoring REDD+: Opportunities to improve the accuracy of emission factor and activity data in Indonesia

NASA Astrophysics Data System (ADS)

Solichin

The importance of accurate measurement of forest biomass in Indonesia has been growing ever since climate change mitigation schemes, particularly the reduction of emissions from deforestation and forest degradation scheme (known as REDD+), were constitutionally accepted by the government of Indonesia. The need for an accurate system of historical and actual forest monitoring has also become more pronounced, as such a system would afford a better understanding of the role of forests in climate change and allow for the quantification of the impact of activities implemented to reduce greenhouse gas emissions. The aim of this study was to enhance the accuracy of estimations of carbon stocks and to monitor emissions in tropical forests. The research encompassed various scales (from trees and stands to landscape-sized scales) and a wide range of aspects, from evaluation and development of allometric equations to exploration of the potential of existing forest inventory databases and evaluation of cutting-edge technology for non-destructive sampling and accurate forest biomass mapping over large areas. In this study, I explored whether accuracy--especially regarding the identification and reduction of bias--of forest aboveground biomass (AGB) estimates in Indonesia could be improved through (1) development and refinement of allometric equations for major forest types, (2) integration of existing large forest inventory datasets, (3) assessing nondestructive sampling techniques for tree AGB measurement, and (4) landscape-scale mapping of AGB and forest cover using lidar. This thesis provides essential foundations to improve the estimation of forest AGB at tree scale through development of new AGB equations for several major forest types in Indonesia. I successfully developed new allometric equations using large datasets from various forest types that enable us to estimate tree aboveground biomass for both forest type specific and generic equations. My models outperformed the existing local equations, with lower bias and higher precision of the AGB estimates. This study also highlights the potential advantages and challenges of using terrestrial lidar and the acoustic velocity tool for non-destructive sampling of tree biomass to enable more sample collection without the felling of trees. Further, I explored whether existing forest inventories and permanent sample plot datasets can be integrated into Indonesia's existing carbon accounting system. My investigation of these existing datasets found that through quality assurance tests these datasets are essential to be integrated into national and provincial forest monitoring and carbon accounting systems. Integration of this information would eventually improve the accuracy of the estimates of forest carbon stocks, biomass growth, mortality and emission factors from deforestation and forest degradation. At landscape scale, this study demonstrates the capability of airborne lidar for forest monitoring and forest cover classification in tropical peat swamp ecosystems. The mapping application using airborne lidar showed a more accurate and precise classification of land and forest cover when compared with mapping using optical and active sensors. To reduce the cost of lidar acquisition, this study assessed the optimum lidar return density for forest monitoring. I found that the density of lidar return could be reduced to at least 1 return per 4 m2. Overall, this study provides essential scientific background to improve the accuracy of forest AGB estimates. Therefore, the described results and techniques should be integrated into the existing monitoring systems to assess emission reduction targets and the impact of REDD+ implementation.
A novel approach to solve nonlinear Fredholm integral equations of the second kind.

PubMed

Li, Hu; Huang, Jin

2016-01-01

In this paper, we present a novel approach to solve nonlinear Fredholm integral equations of the second kind. This algorithm is constructed by the integral mean value theorem and Newton iteration. Convergence and error analysis of the numerical solutions are given. Moreover, Numerical examples show the algorithm is very effective and simple.
A Note on ;New Hierarchies of Integrable Lattice Equations and Associated Properties: Darboux Transformation Conservation Laws and Integrable Coupling; [Rep. Math. Phys. 67 (2011), 259

NASA Astrophysics Data System (ADS)

Xu, Xi-Xiang

2016-12-01

We prove that two new hierarchies of integrable lattice equations in [Rep. Math. Phys.67 (2011), 259] can be respectively changed into the famous relativistic Toda lattice hierarchies in the polynomial and the rational forms by means of a simple transformation.
The fluid-dynamic paradigm of the dust-acoustic soliton

NASA Astrophysics Data System (ADS)

McKenzie, J. F.

2002-06-01

In most studies, the properties of dust-acoustic solitons are derived from the first integral of the Poisson equation, in which the shape of the pseudopotential determines both the conditions in which a soliton may exist and its amplitude. Here this first integral is interpreted as conservation of total momentum, which, along with the Bernoulli-like energy equations for each species, may be cast as the structure equation for the dust (or heavy-ion) speed in the wave. In this fluid-dynamic picture, the significance of the sonic points of each species becomes apparent. In the wave, the heavy-ion (or dust) flow speed is supersonic (relative to its sound speed), whereas the protons and electrons are subsonic (relative to their sound speeds), and the dust flow is driven towards its sonic point. It is this last feature that limits the strength (amplitude) of the wave, since the equilibrium point (the centre of the wave) must be reached before the dust speed becomes sonic. The wave is characterized by a compression in the heavies and a compression (rarefaction) in the electrons and a rarefaction (compression) in the protons if the heavies have positive (negative) charge, and the corresponding potential is a hump (dip). These features are elucidated by an exact analytical soliton, in a special case, which provides the fully nonlinear counterpoint to the weakly nonlinear sech2-type solitons associated with the Korteweg de Vries equation, and indicates the parameter regimes in which solitons may exist.
Proceedings of the 1993 Scientific Conference on Obscuration and Aerosol Research Held in Aberdeen Proving Ground on 22-24 Jun 1993

DTIC Science & Technology

1994-03-01

equation (4.1.27) is not a finite rank integral equation, it suggests that an approxi- mate finite rank integral equation Pf" = Pg + APL(K~p) Pfa 4 \\PNPfa...Harry Salem Richard Farrell Mark Seaver Dennis F Flanigan George Sehmel David Freund Jungshik Shin Robert H Frickel Orazio I Sindoni Edward Fry Michael
Variational iteration method — a promising technique for constructing equivalent integral equations of fractional order

NASA Astrophysics Data System (ADS)

Wang, Yi-Hong; Wu, Guo-Cheng; Baleanu, Dumitru

2013-10-01

The variational iteration method is newly used to construct various integral equations of fractional order. Some iterative schemes are proposed which fully use the method and the predictor-corrector approach. The fractional Bagley-Torvik equation is then illustrated as an example of multi-order and the results show the efficiency of the variational iteration method's new role.
Boundary regularized integral equation formulation of the Helmholtz equation in acoustics.

PubMed

Sun, Qiang; Klaseboer, Evert; Khoo, Boo-Cheong; Chan, Derek Y C

2015-01-01

A boundary integral formulation for the solution of the Helmholtz equation is developed in which all traditional singular behaviour in the boundary integrals is removed analytically. The numerical precision of this approach is illustrated with calculation of the pressure field owing to radiating bodies in acoustic wave problems. This method facilitates the use of higher order surface elements to represent boundaries, resulting in a significant reduction in the problem size with improved precision. Problems with extreme geometric aspect ratios can also be handled without diminished precision. When combined with the CHIEF method, uniqueness of the solution of the exterior acoustic problem is assured without the need to solve hypersingular integrals.
Boundary regularized integral equation formulation of the Helmholtz equation in acoustics

PubMed Central

Sun, Qiang; Klaseboer, Evert; Khoo, Boo-Cheong; Chan, Derek Y. C.

2015-01-01

A boundary integral formulation for the solution of the Helmholtz equation is developed in which all traditional singular behaviour in the boundary integrals is removed analytically. The numerical precision of this approach is illustrated with calculation of the pressure field owing to radiating bodies in acoustic wave problems. This method facilitates the use of higher order surface elements to represent boundaries, resulting in a significant reduction in the problem size with improved precision. Problems with extreme geometric aspect ratios can also be handled without diminished precision. When combined with the CHIEF method, uniqueness of the solution of the exterior acoustic problem is assured without the need to solve hypersingular integrals. PMID:26064591
Fractional calculus in hydrologic modeling: A numerical perspective

PubMed Central

Benson, David A.; Meerschaert, Mark M.; Revielle, Jordan

2013-01-01

Fractional derivatives can be viewed either as handy extensions of classical calculus or, more deeply, as mathematical operators defined by natural phenomena. This follows the view that the diffusion equation is defined as the governing equation of a Brownian motion. In this paper, we emphasize that fractional derivatives come from the governing equations of stable Lévy motion, and that fractional integration is the corresponding inverse operator. Fractional integration, and its multi-dimensional extensions derived in this way, are intimately tied to fractional Brownian (and Lévy) motions and noises. By following these general principles, we discuss the Eulerian and Lagrangian numerical solutions to fractional partial differential equations, and Eulerian methods for stochastic integrals. These numerical approximations illuminate the essential nature of the fractional calculus. PMID:23524449
Traveling wave solutions to a reaction-diffusion equation

NASA Astrophysics Data System (ADS)

Feng, Zhaosheng; Zheng, Shenzhou; Gao, David Y.

2009-07-01

In this paper, we restrict our attention to traveling wave solutions of a reaction-diffusion equation. Firstly we apply the Divisor Theorem for two variables in the complex domain, which is based on the ring theory of commutative algebra, to find a quasi-polynomial first integral of an explicit form to an equivalent autonomous system. Then through this first integral, we reduce the reaction-diffusion equation to a first-order integrable ordinary differential equation, and a class of traveling wave solutions is obtained accordingly. Comparisons with the existing results in the literature are also provided, which indicates that some analytical results in the literature contain errors. We clarify the errors and instead give a refined result in a simple and straightforward manner.
Heat Diffusion in Gases, Including Effects of Chemical Reaction

NASA Technical Reports Server (NTRS)

Hansen, C. Frederick

1960-01-01

The diffusion of heat through gases is treated where the coefficients of thermal conductivity and diffusivity are functions of temperature. The diffusivity is taken proportional to the integral of thermal conductivity, where the gas is ideal, and is considered constant over the temperature interval in which a chemical reaction occurs. The heat diffusion equation is then solved numerically for a semi-infinite gas medium with constant initial and boundary conditions. These solutions are in a dimensionless form applicable to gases in general, and they are used, along with measured shock velocity and heat flux through a shock reflecting surface, to evaluate the integral of thermal conductivity for air up to 5000 degrees Kelvin. This integral has the properties of a heat flux potential and replaces temperature as the dependent variable for problems of heat diffusion in media with variable coefficients. Examples are given in which the heat flux at the stagnation region of blunt hypersonic bodies is expressed in terms of this potential.
Improving multilevel Monte Carlo for stochastic differential equations with application to the Langevin equation

PubMed Central

Müller, Eike H.; Scheichl, Rob; Shardlow, Tony

2015-01-01

This paper applies several well-known tricks from the numerical treatment of deterministic differential equations to improve the efficiency of the multilevel Monte Carlo (MLMC) method for stochastic differential equations (SDEs) and especially the Langevin equation. We use modified equations analysis as an alternative to strong-approximation theory for the integrator, and we apply this to introduce MLMC for Langevin-type equations with integrators based on operator splitting. We combine this with extrapolation and investigate the use of discrete random variables in place of the Gaussian increments, which is a well-known technique for the weak approximation of SDEs. We show that, for small-noise problems, discrete random variables can lead to an increase in efficiency of almost two orders of magnitude for practical levels of accuracy. PMID:27547075
Soliton solutions for ABS lattice equations: I. Cauchy matrix approach

NASA Astrophysics Data System (ADS)

Nijhoff, Frank; Atkinson, James; Hietarinta, Jarmo

2009-10-01

In recent years there have been new insights into the integrability of quadrilateral lattice equations, i.e. partial difference equations which are the natural discrete analogues of integrable partial differential equations in 1+1 dimensions. In the scalar (i.e. single-field) case, there now exist classification results by Adler, Bobenko and Suris (ABS) leading to some new examples in addition to the lattice equations 'of KdV type' that were known since the late 1970s and early 1980s. In this paper, we review the construction of soliton solutions for the KdV-type lattice equations and use those results to construct N-soliton solutions for all lattice equations in the ABS list except for the elliptic case of Q4, which is left to a separate treatment.
Improving multilevel Monte Carlo for stochastic differential equations with application to the Langevin equation.

PubMed

Müller, Eike H; Scheichl, Rob; Shardlow, Tony

2015-04-08

This paper applies several well-known tricks from the numerical treatment of deterministic differential equations to improve the efficiency of the multilevel Monte Carlo (MLMC) method for stochastic differential equations (SDEs) and especially the Langevin equation. We use modified equations analysis as an alternative to strong-approximation theory for the integrator, and we apply this to introduce MLMC for Langevin-type equations with integrators based on operator splitting. We combine this with extrapolation and investigate the use of discrete random variables in place of the Gaussian increments, which is a well-known technique for the weak approximation of SDEs. We show that, for small-noise problems, discrete random variables can lead to an increase in efficiency of almost two orders of magnitude for practical levels of accuracy.
Reaction formulation for radiation and scattering from plates, corner reflectors and dielectric-coated cylinders

NASA Technical Reports Server (NTRS)

Wang, N. N.

1974-01-01

The reaction concept is employed to formulate an integral equation for radiation and scattering from plates, corner reflectors, and dielectric-coated conducting cylinders. The surface-current density on the conducting surface is expanded with subsectional bases. The dielectric layer is modeled with polarization currents radiating in free space. Maxwell's equation and the boundary conditions are employed to express the polarization-current distribution in terms of the surface-current density on the conducting surface. By enforcing reaction tests with an array of electric test sources, the moment method is employed to reduce the integral equation to a matrix equation. Inversion of the matrix equation yields the current distribution, and the scattered field is then obtained by integrating the current distribution. The theory, computer program and numerical results are presented for radiation and scattering from plates, corner reflectors, and dielectric-coated conducting cylinders.

Plane elasto-plastic analysis of v-notched plate under bending by boundary integral equation method. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Rzasnicki, W.

1973-01-01

A method of solution is presented, which, when applied to the elasto-plastic analysis of plates having a v-notch on one edge and subjected to pure bending, will produce stress and strain fields in much greater detail than presently available. Application of the boundary integral equation method results in two coupled Fredholm-type integral equations, subject to prescribed boundary conditions. These equations are replaced by a system of simultaneous algebraic equations and solved by a successive approximation method employing Prandtl-Reuss incremental plasticity relations. The method is first applied to number of elasto-static problems and the results compared with available solutions. Good agreement is obtained in all cases. The elasto-plastic analysis provides detailed stress and strain distributions for several cases of plates with various notch angles and notch depths. A strain hardening material is assumed and both plane strain and plane stress conditions are considered.
Machine learning of atmospheric chemistry. Applications to a global chemistry transport model.

NASA Astrophysics Data System (ADS)

Evans, M. J.; Keller, C. A.

2017-12-01

Atmospheric chemistry is central to many environmental issues such as air pollution, climate change, and stratospheric ozone loss. Chemistry Transport Models (CTM) are a central tool for understanding these issues, whether for research or for forecasting. These models split the atmosphere in a large number of grid-boxes and consider the emission of compounds into these boxes and their subsequent transport, deposition, and chemical processing. The chemistry is represented through a series of simultaneous ordinary differential equations, one for each compound. Given the difference in life-times between the chemical compounds (mili-seconds for O(1D) to years for CH4) these equations are numerically stiff and solving them consists of a significant fraction of the computational burden of a CTM.We have investigated a machine learning approach to solving the differential equations instead of solving them numerically. From an annual simulation of the GEOS-Chem model we have produced a training dataset consisting of the concentration of compounds before and after the differential equations are solved, together with some key physical parameters for every grid-box and time-step. From this dataset we have trained a machine learning algorithm (random regression forest) to be able to predict the concentration of the compounds after the integration step based on the concentrations and physical state at the beginning of the time step. We have then included this algorithm back into the GEOS-Chem model, bypassing the need to integrate the chemistry.This machine learning approach shows many of the characteristics of the full simulation and has the potential to be substantially faster. There are a wide range of application for such an approach - generating boundary conditions, for use in air quality forecasts, chemical data assimilation systems, centennial scale climate simulations etc. We discuss our approches' speed and accuracy, and highlight some potential future directions for improving this approach.
Theory of runaway electrons in ITER: Equations, important parameters, and implications for mitigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boozer, Allen H., E-mail: ahb17@columbia.edu

2015-03-15

The plasma current in ITER cannot be allowed to transfer from thermal to relativistic electron carriers. The potential for damage is too great. Before the final design is chosen for the mitigation system to prevent such a transfer, it is important that the parameters that control the physics be understood. Equations that determine these parameters and their characteristic values are derived. The mitigation benefits of the injection of impurities with the highest possible atomic number Z and the slowing plasma cooling during halo current mitigation to ≳40 ms in ITER are discussed. The highest possible Z increases the poloidal flux consumptionmore » required for each e-fold in the number of relativistic electrons and reduces the number of high energy seed electrons from which exponentiation builds. Slow cooling of the plasma during halo current mitigation also reduces the electron seed. Existing experiments could test physics elements required for mitigation but cannot carry out an integrated demonstration. ITER itself cannot carry out an integrated demonstration without excessive danger of damage unless the probability of successful mitigation is extremely high. The probability of success depends on the reliability of the theory. Equations required for a reliable Monte Carlo simulation are derived.« less
Harmonizing multiple methods for reconstructing historical potential and reference evapotranspiration

USGS Publications Warehouse

Belaineh, Getachew; Sumner, David; Carter, Edward; Clapp, David

2013-01-01

Potential evapotranspiration (PET) and reference evapotranspiration (RET) data are usually critical components of hydrologic analysis. Many different equations are available to estimate PET and RET. Most of these equations, such as the Priestley-Taylor and Penman- Monteith methods, rely on detailed meteorological data collected at ground-based weather stations. Few weather stations collect enough data to estimate PET or RET using one of the more complex evapotranspiration equations. Currently, satellite data integrated with ground meteorological data are used with one of these evapotranspiration equations to accurately estimate PET and RET. However, earlier than the last few decades, historical reconstructions of PET and RET needed for many hydrologic analyses are limited by the paucity of satellite data and of some types of ground data. Air temperature stands out as the most generally available meteorological ground data type over the last century. Temperature-based approaches used with readily available historical temperature data offer the potential for long period-of-record PET and RET historical reconstructions. A challenge is the inconsistency between the more accurate, but more data intensive, methods appropriate for more recent periods and the less accurate, but less data intensive, methods appropriate to the more distant past. In this study, multiple methods are harmonized in a seamless reconstruction of historical PET and RET by quantifying and eliminating the biases of the simple Hargreaves-Samani method relative to the more complex and accurate Priestley-Taylor and Penman-Monteith methods. This harmonization process is used to generate long-term, internally consistent, spatiotemporal databases of PET and RET.
Elliptic Euler-Poisson-Darboux equation, critical points and integrable systems

NASA Astrophysics Data System (ADS)

Konopelchenko, B. G.; Ortenzi, G.

2013-12-01

The structure and properties of families of critical points for classes of functions W(z,{\\overline{z}}) obeying the elliptic Euler-Poisson-Darboux equation E(1/2, 1/2) are studied. General variational and differential equations governing the dependence of critical points in variational (deformation) parameters are found. Explicit examples of the corresponding integrable quasi-linear differential systems and hierarchies are presented. There are the extended dispersionless Toda/nonlinear Schrödinger hierarchies, the ‘inverse’ hierarchy and equations associated with the real-analytic Eisenstein series E(\\beta ,{\\overline{\\beta }};1/2) among them. The specific bi-Hamiltonian structure of these equations is also discussed.
Series: Utilization of Differential Equations and Methods for Solving Them in Medical Physics (4).

PubMed

Murase, Kenya

2016-01-01

Partial differential equations are often used in the field of medical physics. In this (final) issue, the methods for solving the partial differential equations were introduced, which include separation of variables, integral transform (Fourier and Fourier-sine transforms), Green's function, and series expansion methods. Some examples were also introduced, in which the integral transform and Green's function methods were applied to solving Pennes' bioheat transfer equation and the Fourier series expansion method was applied to Navier-Stokes equation for analyzing the wall shear stress in blood vessels.Finally, the author hopes that this series will be helpful for people who engage in medical physics.
A Bifurcation Problem for a Nonlinear Partial Differential Equation of Parabolic Type,

DTIC Science & Technology

NONLINEAR DIFFERENTIAL EQUATIONS, INTEGRATION), (*PARTIAL DIFFERENTIAL EQUATIONS, BOUNDARY VALUE PROBLEMS), BANACH SPACE , MAPPING (TRANSFORMATIONS), SET THEORY, TOPOLOGY, ITERATIONS, STABILITY, THEOREMS
Integrability of the coupled cubic-quintic complex Ginzburg-Landau equations and multiple-soliton solutions via mathematical methods

NASA Astrophysics Data System (ADS)

Selima, Ehab S.; Seadawy, Aly R.; Yao, Xiaohua; Essa, F. A.

2018-02-01

This paper is devoted to study the (1+1)-dimensional coupled cubic-quintic complex Ginzburg-Landau equations (cc-qcGLEs) with complex coefficients. This equation can be used to describe the nonlinear evolution of slowly varying envelopes of periodic spatial-temporal patterns in a convective binary fluid. Dispersion relation and properties of cc-qcGLEs are constructed. Painlevé analysis is used to check the integrability of cc-qcGLEs and to establish the Bäcklund transformation form. New traveling wave solutions and a general form of multiple-soliton solutions of cc-qcGLEs are obtained via the Bäcklund transformation and simplest equation method with Bernoulli, Riccati and Burgers’ equations as simplest equations.
The use of simple inflow- and storage-based heuristics equations to represent reservoir behavior in California for investigating human impacts on the water cycle

NASA Astrophysics Data System (ADS)

Solander, K.; David, C. H.; Reager, J. T.; Famiglietti, J. S.

2013-12-01

The ability to reasonably replicate reservoir behavior in terms of storage and outflow is important for studying the potential human impacts on the terrestrial water cycle. Developing a simple method for this purpose could facilitate subsequent integration in a land surface or global climate model. This study attempts to simulate monthly reservoir outflow and storage using a simple, temporally-varying set of heuristics equations with input consisting of in situ records of reservoir inflow and storage. Equations of increasing complexity relative to the number of parameters involved were tested. Only two parameters were employed in the final equations used to predict outflow and storage in an attempt to best mimic seasonal reservoir behavior while still preserving model parsimony. California reservoirs were selected for model development due to the high level of data availability and intensity of water resource management in this region relative to other areas. Calibration was achieved using observations from eight major reservoirs representing approximately 41% of the 107 largest reservoirs in the state. Parameter optimization was accomplished using the minimum RMSE between observed and modeled storage and outflow as the main objective function. Initial results obtained for a multi-reservoir average of the correlation coefficient between observed and modeled storage (resp. outflow) is of 0.78 (resp. 0.75). These results combined with the simplicity of the equations being used show promise for integration into a land surface or a global climate model. This would be invaluable for evaluations of reservoir management impacts on the flow regime and associated ecosystems as well as on the climate at both regional and global scales.
On high-order perturbative calculations at finite density

DOE PAGES

Ghisoiu, Ioan; Gorda, Tyler; Kurkela, Aleksi; ...

2016-12-01

We discuss the prospects of performing high-order perturbative calculations in systems characterized by a vanishing temperature but finite density. In particular, we show that the determination of generic Feynman integrals containing fermionic chemical potentials can be reduced to the evaluation of three-dimensional phase space integrals over vacuum on-shell amplitudes — aresult reminiscent of a previously proposed “naive real-time formalism” for vacuum diagrams. Applications of these rules are discussed in the context of the thermodynamics of cold and dense QCD, where it is argued that they facilitate an extension of the Equation of State of cold quark matter to higher perturbativemore » orders.« less
The statistical theory of the fracture of fragile bodies. Part 2: The integral equation method

NASA Technical Reports Server (NTRS)

Kittl, P.

1984-01-01

It is demonstrated how with the aid of a bending test, the Weibull fracture risk function can be determined - without postulating its analytical form - by resolving an integral equation. The respective solutions for rectangular and circular section beams are given. In the first case the function is expressed as an algorithm and in the second, in the form of series. Taking into account that the cumulative fracture probability appearing in the solution to the integral equation must be continuous and monotonically increasing, any case of fabrication or selection of samples can be treated.
Asian International Students at an Australian University: Mapping the Paths between Integrative Motivation, Competence in L2 Communication, Cross-Cultural Adaptation and Persistence with Structural Equation Modelling

ERIC Educational Resources Information Center

Yu, Baohua

2013-01-01

This study examined the interrelationships of integrative motivation, competence in second language (L2) communication, sociocultural adaptation, academic adaptation and persistence of international students at an Australian university. Structural equation modelling demonstrated that the integrative motivation of international students has a…
Development of volume equations using data obtained by upper stem dendrometry with Monte Carlo integration: preliminary results for eastern redcedar

Treesearch

Thomas B. Lynch; Rodney E. Will; Rider Reynolds

2013-01-01

Preliminary results are given for development of an eastern redcedar (Juniperus virginiana) cubic-volume equation based on measurements of redcedar sample tree stem volume using dendrometry with Monte Carlo integration. Monte Carlo integration techniques can be used to provide unbiased estimates of stem cubic-foot volume based on upper stem diameter...
PREFACE: Symmetries and integrability of difference equations Symmetries and integrability of difference equations

NASA Astrophysics Data System (ADS)

Levi, Decio; Olver, Peter; Thomova, Zora; Winternitz, Pavel

2009-11-01

The concept of integrability was introduced in classical mechanics in the 19th century for finite dimensional continuous Hamiltonian systems. It was extended to certain classes of nonlinear differential equations in the second half of the 20th century with the discovery of the inverse scattering transform and the birth of soliton theory. Also at the end of the 19th century Lie group theory was invented as a powerful tool for obtaining exact analytical solutions of large classes of differential equations. Together, Lie group theory and integrability theory in its most general sense provide the main tools for solving nonlinear differential equations. Like differential equations, difference equations play an important role in physics and other sciences. They occur very naturally in the description of phenomena that are genuinely discrete. Indeed, they may actually be more fundamental than differential equations if space-time is actually discrete at very short distances. On the other hand, even when treating continuous phenomena described by differential equations it is very often necessary to resort to numerical methods. This involves a discretization of the differential equation, i.e. a replacement of the differential equation by a difference one. Given the well developed and understood techniques of symmetry and integrability for differential equations a natural question to ask is whether it is possible to develop similar techniques for difference equations. The aim is, on one hand, to obtain powerful methods for solving `integrable' difference equations and to establish practical integrability criteria, telling us when the methods are applicable. On the other hand, Lie group methods can be adapted to solve difference equations analytically. Finally, integrability and symmetry methods can be combined with numerical methods to obtain improved numerical solutions of differential equations. The origin of the SIDE meetings goes back to the early 1990s and the first meeting with the name `Symmetries and Integrability of Discrete Equations (SIDE)' was held in Estérel, Québec, Canada. This was organized by D Levi, P Winternitz and L Vinet. After the success of the first meeting the scientific community decided to hold bi-annual SIDE meetings. They were held in 1996 at the University of Kent (UK), 1998 in Sabaudia (Italy), 2000 at the University of Tokyo (Japan), 2002 in Giens (France), 2004 in Helsinki (Finland) and in 2006 at the University of Melbourne (Australia). In 2008 the SIDE 8 meeting was again organized near Montreal, in Ste-Adèle, Québec, Canada. The SIDE 8 International Advisory Committee (also the SIDE steering committee) consisted of Frank Nijhoff, Alexander Bobenko, Basil Grammaticos, Jarmo Hietarinta, Nalini Joshi, Decio Levi, Vassilis Papageorgiou, Junkichi Satsuma, Yuri Suris, Claude Vialet and Pavel Winternitz. The local organizing committee consisted of Pavel Winternitz, John Harnad, Véronique Hussin, Decio Levi, Peter Olver and Luc Vinet. Financial support came from the Centre de Recherches Mathématiques in Montreal and the National Science Foundation (through the University of Minnesota). Proceedings of the first three SIDE meetings were published in the LMS Lecture Note series. Since 2000 the emphasis has been on publishing selected refereed articles in response to a general call for papers issued after the conference. This allows for a wider author base, since the call for papers is not restricted to conference participants. The SIDE topics thus are represented in special issues of Journal of Physics A: Mathematical and General 34 (48) and Journal of Physics A: Mathematical and Theoretical, 40 (42) (SIDE 4 and SIDE 7, respectively), Journal of Nonlinear Mathematical Physics 10 (Suppl. 2) and 12 (Suppl. 2) (SIDE 5 and SIDE 6 respectively). The SIDE 8 meeting was organized around several topics and the contributions to this special issue reflect the diversity presented during the meeting. The papers presented at the SIDE 8 meeting were organized into the following special sessions: geometry of discrete and continuous Painlevé equations; continuous symmetries of discrete equations—theory and computational applications; algebraic aspects of discrete equations; singularity confinement, algebraic entropy and Nevanlinna theory; discrete differential geometry; discrete integrable systems and isomonodromy transformations; special functions as solutions of difference and q-difference equations. This special issue of the journal is organized along similar lines. The first three articles are topical review articles appearing in alphabetical order (by first author). The article by Doliwa and Nieszporski describes the Darboux transformations in a discrete setting, namely for the discrete second order linear problem. The article by Grammaticos, Halburd, Ramani and Viallet concentrates on the integrability of the discrete systems, in particular they describe integrability tests for difference equations such as singularity confinement, algebraic entropy (growth and complexity), and analytic and arithmetic approaches. The topical review by Konopelchenko explores the relationship between the discrete integrable systems and deformations of associative algebras. All other articles are presented in alphabetical order (by first author). The contributions were solicited from all participants as well as from the general scientific community. The contributions published in this special issue can be loosely grouped into several overlapping topics, namely: •Geometry of discrete and continuous Painlevé equations (articles by Spicer and Nijhoff and by Lobb and Nijhoff). •Continuous symmetries of discrete equations—theory and applications (articles by Dorodnitsyn and Kozlov; Levi, Petrera and Scimiterna; Scimiterna; Ste-Marie and Tremblay; Levi and Yamilov; Rebelo and Winternitz). •Yang--Baxter maps (article by Xenitidis and Papageorgiou). •Algebraic aspects of discrete equations (articles by Doliwa and Nieszporski; Konopelchenko; Tsarev and Wolf). •Singularity confinement, algebraic entropy and Nevanlinna theory (articles by Grammaticos, Halburd, Ramani and Viallet; Grammaticos, Ramani and Tamizhmani). •Discrete integrable systems and isomonodromy transformations (article by Dzhamay). •Special functions as solutions of difference and q-difference equations (articles by Atakishiyeva, Atakishiyev and Koornwinder; Bertola, Gekhtman and Szmigielski; Vinet and Zhedanov). •Other topics (articles by Atkinson; Grünbaum Nagai, Kametaka and Watanabe; Nagiyev, Guliyeva and Jafarov; Sahadevan and Uma Maheswari; Svinin; Tian and Hu; Yao, Liu and Zeng). This issue is the result of the collaboration of many individuals. We would like to thank the authors who contributed and everyone else involved in the preparation of this special issue.
Solving modal equations of motion with initial conditions using MSC/NASTRAN DMAP. Part 1: Implementing exact mode superposition

NASA Technical Reports Server (NTRS)

Abdallah, Ayman A.; Barnett, Alan R.; Ibrahim, Omar M.; Manella, Richard T.

1993-01-01

Within the MSC/NASTRAN DMAP (Direct Matrix Abstraction Program) module TRD1, solving physical (coupled) or modal (uncoupled) transient equations of motion is performed using the Newmark-Beta or mode superposition algorithms, respectively. For equations of motion with initial conditions, only the Newmark-Beta integration routine has been available in MSC/NASTRAN solution sequences for solving physical systems and in custom DMAP sequences or alters for solving modal systems. In some cases, one difficulty with using the Newmark-Beta method is that the process of selecting suitable integration time steps for obtaining acceptable results is lengthy. In addition, when very small step sizes are required, a large amount of time can be spent integrating the equations of motion. For certain aerospace applications, a significant time savings can be realized when the equations of motion are solved using an exact integration routine instead of the Newmark-Beta numerical algorithm. In order to solve modal equations of motion with initial conditions and take advantage of efficiencies gained when using uncoupled solution algorithms (like that within TRD1), an exact mode superposition method using MSC/NASTRAN DMAP has been developed and successfully implemented as an enhancement to an existing coupled loads methodology at the NASA Lewis Research Center.
Poisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes I: Finite element solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu Benzhuo; Holst, Michael J.; Center for Theoretical Biological Physics, University of California San Diego, La Jolla, CA 92093

2010-09-20

In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for simulating electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Nernst-Planck equation was defined only in the solvent. We applied a stable regularization scheme to remove the singular component of the electrostatic potential induced by the permanent charges inside biomolecules, and formulated regular, well-posed PNP equations. An inexact-Newton method was used to solve the coupled nonlinear elliptic equations for the steady problems; while an Adams-Bashforth-Crank-Nicolson method was devised formore » time integration for the unsteady electrodiffusion. We numerically investigated the conditioning of the stiffness matrices for the finite element approximations of the two formulations of the Nernst-Planck equation, and theoretically proved that the transformed formulation is always associated with an ill-conditioned stiffness matrix. We also studied the electroneutrality of the solution and its relation with the boundary conditions on the molecular surface, and concluded that a large net charge concentration is always present near the molecular surface due to the presence of multiple species of charged particles in the solution. The numerical methods are shown to be accurate and stable by various test problems, and are applicable to real large-scale biophysical electrodiffusion problems.« less
Poisson-Nernst-Planck Equations for Simulating Biomolecular Diffusion-Reaction Processes I: Finite Element Solutions

PubMed Central

Lu, Benzhuo; Holst, Michael J.; McCammon, J. Andrew; Zhou, Y. C.

2010-01-01

In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Nernst-Planck equation was defined only in the solvent. We applied a stable regularization scheme to remove the singular component of the electrostatic potential induced by the permanent charges inside biomolecules, and formulated regular, well-posed PNP equations. An inexact-Newton method was used to solve the coupled nonlinear elliptic equations for the steady problems; while an Adams-Bashforth-Crank-Nicolson method was devised for time integration for the unsteady electrodiffusion. We numerically investigated the conditioning of the stiffness matrices for the finite element approximations of the two formulations of the Nernst-Planck equation, and theoretically proved that the transformed formulation is always associated with an ill-conditioned stiffness matrix. We also studied the electroneutrality of the solution and its relation with the boundary conditions on the molecular surface, and concluded that a large net charge concentration is always present near the molecular surface due to the presence of multiple species of charged particles in the solution. The numerical methods are shown to be accurate and stable by various test problems, and are applicable to real large-scale biophysical electrodiffusion problems. PMID:21709855
Poisson-Nernst-Planck Equations for Simulating Biomolecular Diffusion-Reaction Processes I: Finite Element Solutions.

PubMed

Lu, Benzhuo; Holst, Michael J; McCammon, J Andrew; Zhou, Y C

2010-09-20

In this paper we developed accurate finite element methods for solving 3-D Poisson-Nernst-Planck (PNP) equations with singular permanent charges for electrodiffusion in solvated biomolecular systems. The electrostatic Poisson equation was defined in the biomolecules and in the solvent, while the Nernst-Planck equation was defined only in the solvent. We applied a stable regularization scheme to remove the singular component of the electrostatic potential induced by the permanent charges inside biomolecules, and formulated regular, well-posed PNP equations. An inexact-Newton method was used to solve the coupled nonlinear elliptic equations for the steady problems; while an Adams-Bashforth-Crank-Nicolson method was devised for time integration for the unsteady electrodiffusion. We numerically investigated the conditioning of the stiffness matrices for the finite element approximations of the two formulations of the Nernst-Planck equation, and theoretically proved that the transformed formulation is always associated with an ill-conditioned stiffness matrix. We also studied the electroneutrality of the solution and its relation with the boundary conditions on the molecular surface, and concluded that a large net charge concentration is always present near the molecular surface due to the presence of multiple species of charged particles in the solution. The numerical methods are shown to be accurate and stable by various test problems, and are applicable to real large-scale biophysical electrodiffusion problems.
Evaluating Feynman integrals by the hypergeometry

NASA Astrophysics Data System (ADS)

Feng, Tai-Fu; Chang, Chao-Hsi; Chen, Jian-Bin; Gu, Zhi-Hua; Zhang, Hai-Bin

2018-02-01

The hypergeometric function method naturally provides the analytic expressions of scalar integrals from concerned Feynman diagrams in some connected regions of independent kinematic variables, also presents the systems of homogeneous linear partial differential equations satisfied by the corresponding scalar integrals. Taking examples of the one-loop B0 and massless C0 functions, as well as the scalar integrals of two-loop vacuum and sunset diagrams, we verify our expressions coinciding with the well-known results of literatures. Based on the multiple hypergeometric functions of independent kinematic variables, the systems of homogeneous linear partial differential equations satisfied by the mentioned scalar integrals are established. Using the calculus of variations, one recognizes the system of linear partial differential equations as stationary conditions of a functional under some given restrictions, which is the cornerstone to perform the continuation of the scalar integrals to whole kinematic domains numerically with the finite element methods. In principle this method can be used to evaluate the scalar integrals of any Feynman diagrams.
The Electric Potential of a Macromolecule in a Solvent: A Fundamental Approach

NASA Astrophysics Data System (ADS)

Juffer, André H.; Botta, Eugen F. F.; van Keulen, Bert A. M.; van der Ploeg, Auke; Berendsen, Herman J. C.

1991-11-01

A general numerical method is presented to compute the electric potential for a macromolecule of arbitrary shape in a solvent with nonzero ionic strength. The model is based on a continuum description of the dielectric and screening properties of the system, which consists of a bounded internal region with discrete charges and an infinite external region. The potential obeys the Poisson equation in the internal region and the linearized Poisson-Boltzmann equation in the external region, coupled through appropriate boundary conditions. It is shown how this three-dimensional problem can be presented as a pair of coupled integral equations for the potential and the normal component of the electric field at the dielectric interface. These equations can be solved by a straightforward application of boundary element techniques. The solution involves the decomposition of a matrix that depends only on the geometry of the surface and not on the positions of the charges. With this approach the number of unknowns is reduced by an order of magnitude with respect to the usual finite difference methods. Special attention is given to the numerical inaccuracies resulting from charges which are located close to the interface; an adapted formulation is given for that case. The method is tested both for a spherical geometry, for which an exact solution is available, and for a realistic problem, for which a finite difference solution and experimental verification is available. The latter concerns the shift in acid strength (pK-values) of histidines in the copper-containing protein azurin on oxidation of the copper, for various values of the ionic strength. A general method is given to triangulate a macromolecular surface. The possibility is discussed to use the method presented here for a correct treatment of long-range electrostatic interactions in simulations of solvated macromolecules, which form an essential part of correct potentials of mean force.

On the Formulation of Weakly Singular Displacement/Traction Integral Equations; and Their Solution by the MLPG Method

NASA Technical Reports Server (NTRS)

Atluri, Satya N.; Shen, Shengping

2002-01-01

In this paper, a very simple method is used to derive the weakly singular traction boundary integral equation based on the integral relationships for displacement gradients. The concept of the MLPG method is employed to solve the integral equations, especially those arising in solid mechanics. A moving Least Squares (MLS) interpolation is selected to approximate the trial functions in this paper. Five boundary integral Solution methods are introduced: direct solution method; displacement boundary-value problem; traction boundary-value problem; mixed boundary-value problem; and boundary variational principle. Based on the local weak form of the BIE, four different nodal-based local test functions are selected, leading to four different MLPG methods for each BIE solution method. These methods combine the advantages of the MLPG method and the boundary element method.
The geometric approach to sets of ordinary differential equations and Hamiltonian dynamics

NASA Technical Reports Server (NTRS)

Estabrook, F. B.; Wahlquist, H. D.

1975-01-01

The calculus of differential forms is used to discuss the local integration theory of a general set of autonomous first order ordinary differential equations. Geometrically, such a set is a vector field V in the space of dependent variables. Integration consists of seeking associated geometric structures invariant along V: scalar fields, forms, vectors, and integrals over subspaces. It is shown that to any field V can be associated a Hamiltonian structure of forms if, when dealing with an odd number of dependent variables, an arbitrary equation of constraint is also added. Families of integral invariants are an immediate consequence. Poisson brackets are isomorphic to Lie products of associated CT-generating vector fields. Hamilton's variational principle follows from the fact that the maximal regular integral manifolds of a closed set of forms must include the characteristics of the set.
High-order solution methods for grey discrete ordinates thermal radiative transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maginot, Peter G., E-mail: maginot1@llnl.gov; Ragusa, Jean C., E-mail: jean.ragusa@tamu.edu; Morel, Jim E., E-mail: morel@tamu.edu

This work presents a solution methodology for solving the grey radiative transfer equations that is both spatially and temporally more accurate than the canonical radiative transfer solution technique of linear discontinuous finite element discretization in space with implicit Euler integration in time. We solve the grey radiative transfer equations by fully converging the nonlinear temperature dependence of the material specific heat, material opacities, and Planck function. The grey radiative transfer equations are discretized in space using arbitrary-order self-lumping discontinuous finite elements and integrated in time with arbitrary-order diagonally implicit Runge–Kutta time integration techniques. Iterative convergence of the radiation equation ismore » accelerated using a modified interior penalty diffusion operator to precondition the full discrete ordinates transport operator.« less
High-order solution methods for grey discrete ordinates thermal radiative transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maginot, Peter G.; Ragusa, Jean C.; Morel, Jim E.

This paper presents a solution methodology for solving the grey radiative transfer equations that is both spatially and temporally more accurate than the canonical radiative transfer solution technique of linear discontinuous finite element discretization in space with implicit Euler integration in time. We solve the grey radiative transfer equations by fully converging the nonlinear temperature dependence of the material specific heat, material opacities, and Planck function. The grey radiative transfer equations are discretized in space using arbitrary-order self-lumping discontinuous finite elements and integrated in time with arbitrary-order diagonally implicit Runge–Kutta time integration techniques. Iterative convergence of the radiation equation ismore » accelerated using a modified interior penalty diffusion operator to precondition the full discrete ordinates transport operator.« less
High-order solution methods for grey discrete ordinates thermal radiative transfer

DOE PAGES

Maginot, Peter G.; Ragusa, Jean C.; Morel, Jim E.

2016-09-29

This paper presents a solution methodology for solving the grey radiative transfer equations that is both spatially and temporally more accurate than the canonical radiative transfer solution technique of linear discontinuous finite element discretization in space with implicit Euler integration in time. We solve the grey radiative transfer equations by fully converging the nonlinear temperature dependence of the material specific heat, material opacities, and Planck function. The grey radiative transfer equations are discretized in space using arbitrary-order self-lumping discontinuous finite elements and integrated in time with arbitrary-order diagonally implicit Runge–Kutta time integration techniques. Iterative convergence of the radiation equation ismore » accelerated using a modified interior penalty diffusion operator to precondition the full discrete ordinates transport operator.« less
Particle connectedness and cluster formation in sequential depositions of particles: integral-equation theory.

PubMed

Danwanichakul, Panu; Glandt, Eduardo D

2004-11-15

We applied the integral-equation theory to the connectedness problem. The method originally applied to the study of continuum percolation in various equilibrium systems was modified for our sequential quenching model, a particular limit of an irreversible adsorption. The development of the theory based on the (quenched-annealed) binary-mixture approximation includes the Ornstein-Zernike equation, the Percus-Yevick closure, and an additional term involving the three-body connectedness function. This function is simplified by introducing a Kirkwood-like superposition approximation. We studied the three-dimensional (3D) system of randomly placed spheres and 2D systems of square-well particles, both with a narrow and with a wide well. The results from our integral-equation theory are in good accordance with simulation results within a certain range of densities.
Particle connectedness and cluster formation in sequential depositions of particles: Integral-equation theory

NASA Astrophysics Data System (ADS)

Danwanichakul, Panu; Glandt, Eduardo D.

2004-11-01

We applied the integral-equation theory to the connectedness problem. The method originally applied to the study of continuum percolation in various equilibrium systems was modified for our sequential quenching model, a particular limit of an irreversible adsorption. The development of the theory based on the (quenched-annealed) binary-mixture approximation includes the Ornstein-Zernike equation, the Percus-Yevick closure, and an additional term involving the three-body connectedness function. This function is simplified by introducing a Kirkwood-like superposition approximation. We studied the three-dimensional (3D) system of randomly placed spheres and 2D systems of square-well particles, both with a narrow and with a wide well. The results from our integral-equation theory are in good accordance with simulation results within a certain range of densities.
Integrable particle systems vs solutions to the KP and 2D Toda equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ruijsenaars, S.N.

Starting from the relation between integrable relativistic N-particle systems with hyperbolic interactions and elementary N-soliton solutions to the KP and 2D Toda equations, we show how fusion properties of the soliton solutions are mirrored by fusion properties of the Poisson commuting particle dynamics. We also obtain previously known relations between elliptic solutions and integrable N-particle systems with elliptic interactions, without invoking finite-gap integration theory. {copyright} 1997 Academic Press, Inc.
Theoretical Investigation of Thermo-Mechanical Behavior of Carbon Nanotube-Based Composites Using the Integral Transform Method

NASA Technical Reports Server (NTRS)

Pawloski, Janice S.

2001-01-01

This project uses the integral transform technique to model the problem of nanotube behavior as an axially symmetric system of shells. Assuming that the nanotube behavior can be described by the equations of elasticity, we seek a stress function x which satisfies the biharmonic equation: del(exp 4) chi = [partial deriv(r(exp 2)) + partial deriv(r) + partial deriv(z(exp 2))] chi = 0. The method of integral transformations is used to transform the differential equation. The symmetry with respect to the z-axis indicates that we only need to consider the sine transform of the stress function: X(bar)(r,zeta) = integral(from 0 to infinity) chi(r,z)sin(zeta,z) dz.
Dusty Pair Plasma—Wave Propagation and Diffusive Transition of Oscillations

NASA Astrophysics Data System (ADS)

Atamaniuk, Barbara; Turski, Andrzej J.

2011-11-01

The crucial point of the paper is the relation between equilibrium distributions of plasma species and the type of propagation or diffusive transition of plasma response to a disturbance. The paper contains a unified treatment of disturbance propagation (transport) in the linearized Vlasov electron-positron and fullerene pair plasmas containing charged dust impurities, based on the space-time convolution integral equations. Electron-positron-dust/ion (e-p-d/i) plasmas are rather widespread in nature. Space-time responses of multi-component linearized Vlasov plasmas on the basis of multiple integral equations are invoked. An initial-value problem for Vlasov-Poisson/Ampère equations is reduced to the one multiple integral equation and the solution is expressed in terms of forcing function and its space-time convolution with the resolvent kernel. The forcing function is responsible for the initial disturbance and the resolvent is responsible for the equilibrium velocity distributions of plasma species. By use of resolvent equations, time-reversibility, space-reflexivity and the other symmetries are revealed. The symmetries carry on physical properties of Vlasov pair plasmas, e.g., conservation laws. Properly choosing equilibrium distributions for dusty pair plasmas, we can reduce the resolvent equation to: (i) the undamped dispersive wave equations, (ii) and diffusive transport equations of oscillations.
All Source Sensor Integration Using an Extended Kalman Filter

DTIC Science & Technology

2012-03-22

Abbreviations . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . ix I. Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1.1 All...Positioning System . . . . . . . . . . . . . . . . . . 1 ASPN All Source Positioning Navigation . . . . . . . . . . . . . . 2 DARPA Defense Advanced...equations are developed for sensor preprocessed mea- 1 surements, and these navigation equations are not dependent upon the integrating filter. That is
Multi-Hamiltonian structure of Plebanski's second heavenly equation

NASA Astrophysics Data System (ADS)

Neyzi, F.; Nutku, Y.; Sheftel, M. B.

2005-09-01

We show that Plebanski's second heavenly equation, when written as a first-order nonlinear evolutionary system, admits multi-Hamiltonian structure. Therefore by Magri's theorem it is a completely integrable system. Thus it is an example of a completely integrable system in four dimensions.
Time-dependent spectral renormalization method

NASA Astrophysics Data System (ADS)

Cole, Justin T.; Musslimani, Ziad H.

2017-11-01

The spectral renormalization method was introduced by Ablowitz and Musslimani (2005) as an effective way to numerically compute (time-independent) bound states for certain nonlinear boundary value problems. In this paper, we extend those ideas to the time domain and introduce a time-dependent spectral renormalization method as a numerical means to simulate linear and nonlinear evolution equations. The essence of the method is to convert the underlying evolution equation from its partial or ordinary differential form (using Duhamel's principle) into an integral equation. The solution sought is then viewed as a fixed point in both space and time. The resulting integral equation is then numerically solved using a simple renormalized fixed-point iteration method. Convergence is achieved by introducing a time-dependent renormalization factor which is numerically computed from the physical properties of the governing evolution equation. The proposed method has the ability to incorporate physics into the simulations in the form of conservation laws or dissipation rates. This novel scheme is implemented on benchmark evolution equations: the classical nonlinear Schrödinger (NLS), integrable PT symmetric nonlocal NLS and the viscous Burgers' equations, each of which being a prototypical example of a conservative and dissipative dynamical system. Numerical implementation and algorithm performance are also discussed.
Structure and orientational ordering in a fluid of elongated quadrupolar molecules

NASA Astrophysics Data System (ADS)

Singh, Ram Chandra

2013-01-01

A second-order density-functional theory is used to study the effect of quadrupolar interactions on the isotropic-nematic transition in a system of fluids of elongated molecules interacting via the Gay-Berne potential. The direct pair-correlation functions of the coexisting isotropic fluid that enter in the theory as input information are obtained by solving the Ornstein-Zernike equation using the Percus-Yevick integral equation theory in the (reduced) temperature range of 1.6≤T∗≤3.0 for different densities, temperatures and quadrupole moments. Using the harmonic coefficients of the direct pair-correlation functions, isotropic-nematic phase coexistence and thermodynamic parameters have been calculated. The theoretical results have been compared with the available computer simulation results.
The use of an analytic Hamiltonian matrix for solving the hydrogenic atom

NASA Astrophysics Data System (ADS)

Bhatti, Mohammad

2001-10-01

The non-relativistic Hamiltonian corresponding to the Shrodinger equation is converted into analytic Hamiltonian matrix using the kth order B-splines functions. The Galerkin method is applied to the solution of the Shrodinger equation for bound states of hydrogen-like systems. The program Mathematica is used to create analytic matrix elements and exact integration is performed over the knot-sequence of B-splines and the resulting generalized eigenvalue problem is solved on a specified numerical grid. The complete basis set and the energy spectrum is obtained for the coulomb potential for hydrogenic systems with Z less than 100 with B-splines of order eight. Another application is given to test the Thomas-Reiche-Kuhn sum rule for the hydrogenic systems.
On the ground state energy of the δ-function Bose gas

NASA Astrophysics Data System (ADS)

Tracy, Craig A.; Widom, Harold

2016-07-01

The weak coupling asymptotics, to order {(c/ρ )}2, of the ground state energy of the delta-function Bose gas is derived. Here 2c≥slant 0 is the delta-function potential amplitude and ρ the density of the gas in the thermodynamic limit. The analysis uses the electrostatic interpretation of the Lieb-Liniger integral equation. Dedicated to Professor Tony Guttmann on the occasion of his 70th birthday.
A numerical method for the dynamics of non-spherical cavitation bubbles

NASA Technical Reports Server (NTRS)

Lucca, G.; Prosperetti, A.

1982-01-01

A boundary integral numerical method for the dynamics of nonspherical cavitation bubbles in inviscid incompressible liquids is described. Only surface values of the velocity potential and its first derivatives are involved. The problem of solving the Laplace equation in the entire domain occupied by the liquid is thus avoided. The collapse of a bubble in the vicinity of a solid wall and the collapse of three bubbles with collinear centers are considered.
Numerical integration of KPZ equation with restrictions

NASA Astrophysics Data System (ADS)

Torres, M. F.; Buceta, R. C.

2018-03-01

In this paper, we introduce a novel integration method of Kardar–Parisi–Zhang (KPZ) equation. It is known that if during the discrete integration of the KPZ equation the nearest-neighbor height-difference exceeds a critical value, instabilities appear and the integration diverges. One way to avoid these instabilities is to replace the KPZ nonlinear-term by a function of the same term that depends on a single adjustable parameter which is able to control pillars or grooves growing on the interface. Here, we propose a different integration method which consists of directly limiting the value taken by the KPZ nonlinearity, thereby imposing a restriction rule that is applied in each integration time-step, as if it were the growth rule of a restricted discrete model, e.g. restricted-solid-on-solid (RSOS). Taking the discrete KPZ equation with restrictions to its dimensionless version, the integration depends on three parameters: the coupling constant g, the inverse of the time-step k, and the restriction constant ε which is chosen to eliminate divergences while keeping all the properties of the continuous KPZ equation. We study in detail the conditions in the parameters’ space that avoid divergences in the 1-dimensional integration and reproduce the scaling properties of the continuous KPZ with a particular parameter set. We apply the tested methodology to the d-dimensional case (d = 3, 4 ) with the purpose of obtaining the growth exponent β, by establishing the conditions of the coupling constant g under which we recover known values reached by other authors, particularly for the RSOS model. This method allows us to infer that d = 4 is not the critical dimension of the KPZ universality class, where the strong-coupling phase disappears.
Integrability in AdS/CFT correspondence: quasi-classical analysis

NASA Astrophysics Data System (ADS)

Gromov, Nikolay

2009-06-01

In this review, we consider a quasi-classical method applicable to integrable field theories which is based on a classical integrable structure—the algebraic curve. We apply it to the Green-Schwarz superstring on the AdS5 × S5 space. We show that the proposed method reproduces perfectly the earlier results obtained by expanding the string action for some simple classical solutions. The construction is explicitly covariant and is not based on a particular parameterization of the fields and as a result is free from ambiguities. On the other hand, the finite size corrections in some particularly important scaling limit are studied in this paper for a system of Bethe equations. For the general superalgebra \\su(N|K) , the result for the 1/L corrections is obtained. We find an integral equation which describes these corrections in a closed form. As an application, we consider the conjectured Beisert-Staudacher (BS) equations with the Hernandez-Lopez dressing factor where the finite size corrections should reproduce quasi-classical results around a general classical solution. Indeed, we show that our integral equation can be interpreted as a sum of all physical fluctuations and thus prove the complete one-loop consistency of the BS equations. We demonstrate that any local conserved charge (including the AdS energy) computed from the BS equations is indeed given at one loop by the sum of the charges of fluctuations with an exponential precision for large S5 angular momentum of the string. As an independent result, the BS equations in an \\su(2) sub-sector were derived from Zamolodchikovs's S-matrix. The paper is based on the author's PhD thesis.
Does the supersymmetric integrability imply the integrability of Bosonic sector

DOE Office of Scientific and Technical Information (OSTI.GOV)

Popowicz, Ziemowit

2010-03-08

The answer is no. This is demonstrated for two equations that belong to the supersymmetric Manin-Radul N = 1 Kadomtsev-Petviashvili (MRSKP) hierarchy. The first one is the N = 1 supersymmetric Sawada-Kotera equation recently considered by Tian and Liu. We define the bi-Hamiltonian structure for this equation which however does not reduce in the bosonic limit to the known bi-Hamiltonian structure. The second equation is obtained from the Lax operator of the fifth order in the supersymmetric derivatives which in the bosonic sector reduces to the system of interacted two KdV equations discovered by Drinfeld and Sokolov in 1981 andmore » later rediscovered by Sakovich and Foursov.« less

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