Analysis of fuel shares in the industrial sector
Roop, J.M.; Belzer, D.B.
1986-06-01
These studies describe how fuel shares have changed over time; determine what factors are important in promoting fuel share changes; and project fuel shares to the year 1995 in the industrial sector. A general characterization of changes in fuel shares of four fuel types - coal, natural gas, oil and electricity - for the industrial sector is as follows. Coal as a major fuel source declined rapidly from 1958 to the early 1970s, with oil and natural gas substituting for coal. Coal's share of total fuels stabilized after the oil price shock of 1972-1973, and increased after the 1979 price shock. In the period since 1973, most industries and the industrial sector as a whole appear to freely substitute natural gas for oil, and vice versa. Throughout the period 1958-1981, the share of electricity as a fuel increased. These observations are derived from analyzing the fuel share patterns of more than 20 industries over the 24-year period 1958 to 1981.
DOE R&D Accomplishments [OSTI]
1998-09-21
In the late 1950s to early 1960s Rudolph A. Marcus developed a theory for treating the rates of outer-sphere electron-transfer reactions. Outer-sphere reactions are reactions in which an electron is transferred from a donor to an acceptor without any chemical bonds being made or broken. (Electron-transfer reactions in which bonds are made or broken are referred to as inner-sphere reactions.) Marcus derived several very useful expressions, one of which has come to be known as the Marcus cross-relation or, more simply, as the Marcus equation. It is widely used for correlating and predicting electron-transfer rates. For his contributions to the understanding of electron-transfer reactions, Marcus received the 1992 Nobel Prize in Chemistry. This paper discusses the development and use of the Marcus equation. Topics include self-exchange reactions; net electron-transfer reactions; Marcus cross-relation; and proton, hydride, atom and group transfers.
Relativistic Guiding Center Equations
White, R. B.; Gobbin, M.
2014-10-01
In toroidal fusion devices it is relatively easy that electrons achieve relativistic velocities, so to simulate runaway electrons and other high energy phenomena a nonrelativistic guiding center formalism is not sufficient. Relativistic guiding center equations including flute mode time dependent field perturbations are derived. The same variables as used in a previous nonrelativistic guiding center code are adopted, so that a straightforward modifications of those equations can produce a relativistic version.
SIMULTANEOUS DIFFERENTIAL EQUATION COMPUTER
Collier, D.M.; Meeks, L.A.; Palmer, J.P.
1960-05-10
A description is given for an electronic simulator for a system of simultaneous differential equations, including nonlinear equations. As a specific example, a homogeneous nuclear reactor system including a reactor fluid, heat exchanger, and a steam boiler may be simulated, with the nonlinearity resulting from a consideration of temperature effects taken into account. The simulator includes three operational amplifiers, a multiplier, appropriate potential sources, and interconnecting R-C networks.
Set Equation Transformation System.
Energy Science and Technology Software Center (OSTI)
2002-03-22
Version 00 SETS is used for symbolic manipulation of Boolean equations, particularly the reduction of equations by the application of Boolean identities. It is a flexible and efficient tool for performing probabilistic risk analysis (PRA), vital area analysis, and common cause analysis. The equation manipulation capabilities of SETS can also be used to analyze noncoherent fault trees and determine prime implicants of Boolean functions, to verify circuit design implementation, to determine minimum cost fire protectionmore » requirements for nuclear reactor plants, to obtain solutions to combinatorial optimization problems with Boolean constraints, and to determine the susceptibility of a facility to unauthorized access through nullification of sensors in its protection system. Two auxiliary programs, SEP and FTD, are included. SEP performs the quantitative analysis of reduced Boolean equations (minimal cut sets) produced by SETS. The user can manipulate and evaluate the equations to find the probability of occurrence of any desired event and to produce an importance ranking of the terms and events in an equation. FTD is a fault tree drawing program which uses the proprietary ISSCO DISSPLA graphics software to produce an annotated drawing of a fault tree processed by SETS. The DISSPLA routines are not included.« less
Parallel Multigrid Equation Solver
Energy Science and Technology Software Center (OSTI)
2001-09-07
Prometheus is a fully parallel multigrid equation solver for matrices that arise in unstructured grid finite element applications. It includes a geometric and an algebraic multigrid method and has solved problems of up to 76 mullion degrees of feedom, problems in linear elasticity on the ASCI blue pacific and ASCI red machines.
Flavored quantum Boltzmann equations
Cirigliano, Vincenzo; Lee, Christopher; Ramsey-Musolf, Michael J.; Tulin, Sean [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico, 87545 (United States); Center for Theoretical Physics, University of California, and Theoretical Physics Group, Lawrence Berkeley National Laboratory, Berkeley, California, 94720 (United States); Department of Physics, University of Wisconsin-Madison, 1150 University Avenue, Madison, Wisconsin, 53706 (United States) and Kellogg Radiation Laboratory, California Institute of Technology, Pasadena, California, 91125 (United States); Theory Group, TRIUMF, 4004 Wesbrook Mall, Vancouver, British Columbia, V6T 2A3 (Canada)
2010-05-15
We derive from first principles, using nonequilibrium field theory, the quantum Boltzmann equations that describe the dynamics of flavor oscillations, collisions, and a time-dependent mass matrix in the early universe. Working to leading nontrivial order in ratios of relevant time scales, we study in detail a toy model for weak-scale baryogenesis: two scalar species that mix through a slowly varying time-dependent and CP-violating mass matrix, and interact with a thermal bath. This model clearly illustrates how the CP asymmetry arises through coherent flavor oscillations in a nontrivial background. We solve the Boltzmann equations numerically for the density matrices, investigating the impact of collisions in various regimes.
Menikoff, Ralph
2015-12-15
The JWL equation of state (EOS) is frequently used for the products (and sometimes reactants) of a high explosive (HE). Here we review and systematically derive important properties. The JWL EOS is of the Mie-Grueneisen form with a constant Grueneisen coefficient and a constants specific heat. It is thermodynamically consistent to specify the temperature at a reference state. However, increasing the reference state temperature restricts the EOS domain in the (V, e)-plane of phase space. The restrictions are due to the conditions that P ≥ 0, T ≥ 0, and the isothermal bulk modulus is positive. Typically, this limits the low temperature regime in expansion. The domain restrictions can result in the P-T equilibrium EOS of a partly burned HE failing to have a solution in some cases. For application to HE, the heat of detonation is discussed. Example JWL parameters for an HE, both products and reactions, are used to illustrate the restrictions on the domain of the EOS.
Generalizing the cosmic energy equation
Shtanov, Yuri; Sahni, Varun
2010-11-15
We generalize the cosmic energy equation to the case when massive particles interact via a modified gravitational potential of the form {phi}(a,r), which is allowed to explicitly depend upon the cosmological time through the expansion factor a(t). Using the nonrelativistic approximation for particle dynamics, we derive the equation for the cosmological expansion which has the form of the Friedmann equation with a renormalized gravitational constant. The generalized Layzer-Irvine cosmic energy equation and the associated cosmic virial theorem are applied to some recently proposed modifications of the Newtonian gravitational interaction between dark-matter particles. We also draw attention to the possibility that the cosmic energy equation may be used to probe the expansion history of the universe thereby throwing light on the nature of dark matter and dark energy.
Friedmann equations from entropic force
Cai Ronggen; Cao Liming; Ohta, Nobuyoshi
2010-03-15
In this paper, by use of the holographic principle together with the equipartition law of energy and the Unruh temperature, we derive the Friedmann equations of a Friedmann-Robertson-Walker universe.
Entropic corrections to Einstein equations
Hendi, S. H. [Physics Department, College of Sciences, Yasouj University, Yasouj 75914 (Iran, Islamic Republic of); Research Institute for Astronomy and Astrophysics of Maragha (RIAAM), Maragha (Iran, Islamic Republic of); Sheykhi, A. [Research Institute for Astronomy and Astrophysics of Maragha (RIAAM), Maragha (Iran, Islamic Republic of); Department of Physics, Shahid Bahonar University, P.O. Box 76175-132, Kerman (Iran, Islamic Republic of)
2011-04-15
Considering the general quantum corrections to the area law of black hole entropy and adopting the viewpoint that gravity interprets as an entropic force, we derive the modified forms of Modified Newtonian dynamics (MOND) theory of gravitation and Einstein field equations. As two special cases we study the logarithmic and power-law corrections to entropy and find the explicit form of the obtained modified equations.
Ordinary Differential Equation System Solver
Energy Science and Technology Software Center (OSTI)
1992-03-05
LSODE is a package of subroutines for the numerical solution of the initial value problem for systems of first order ordinary differential equations. The package is suitable for either stiff or nonstiff systems. For stiff systems the Jacobian matrix may be treated in either full or banded form. LSODE can also be used when the Jacobian can be approximated by a band matrix.
Nonextensive Boltzmann Equation and Hadronization
Biro, T.S.; Purcsel, G.
2005-10-14
We present a novel nonextensive generalization of the Boltzmann equation. We investigate the evolution of the one-particle distribution in this framework. The stationary solution is exponential in a nonlinear function of the original energy. The total energy is composed using a general, associative nonextensive rule. We propose that for describing the hadronization of quark matter such rules may apply.
Equation of State Project Overview
Crockett, Scott
2015-09-11
A general overview of the Equation of State (EOS) Project will be presented. The goal is to provide the audience with an introduction of what our more advanced methods entail (DFT, QMD, etc.. ) and how these models are being utilized to better constrain the thermodynamic models. These models substantially reduce our regions of interpolation between the various thermodynamic limits. I will also present a variety example of recent EOS work.
ADVANCED WAVE-EQUATION MIGRATION
L. HUANG; M. C. FEHLER
2000-12-01
Wave-equation migration methods can more accurately account for complex wave phenomena than ray-tracing-based Kirchhoff methods that are based on the high-frequency asymptotic approximation of waves. With steadily increasing speed of massively parallel computers, wave-equation migration methods are becoming more and more feasible and attractive for imaging complex 3D structures. We present an overview of several efficient and accurate wave-equation-based migration methods that we have recently developed. The methods are implemented in the frequency-space and frequency-wavenumber domains and hence they are called dual-domain methods. In the methods, we make use of different approximate solutions of the scalar-wave equation in heterogeneous media to recursively downward continue wavefields. The approximations used within each extrapolation interval include the Born, quasi-Born, and Rytov approximations. In one of our dual-domain methods, we use an optimized expansion of the square-root operator in the one-way wave equation to minimize the phase error for a given model. This leads to a globally optimized Fourier finite-difference method that is a hybrid split-step Fourier and finite-difference scheme. Migration examples demonstrate that our dual-domain migration methods provide more accurate images than those obtained using the split-step Fourier scheme. The Born-based, quasi-Born-based, and Rytov-based methods are suitable for imaging complex structures whose lateral variations are moderate, such as the Marmousi model. For this model, the computational cost of the Born-based method is almost the same as the split-step Fourier scheme, while other methods takes approximately 15-50% more computational time. The globally optimized Fourier finite-difference method significantly improves the accuracy of the split-step Fourier method for imaging structures having strong lateral velocity variations, such as the SEG/EAGE salt model, at an approximately 30% greater
Universal equation for Efimov states
Braaten, Eric; Hammer, H.-W.; Kusunoki, M.
2003-02-01
Efimov states are a sequence of shallow three-body bound states that arise when the two-body scattering length is large. Efimov showed that the binding energies of these states can be calculated in terms of the scattering length and a three-body parameter by solving a transcendental equation involving a universal function of one variable. We calculate this universal function using effective field theory and use it to describe the three-body system of {sup 4}He atoms. We also extend Efimov's theory to include the effects of deep two-body bound states, which give widths to the Efimov states.
Germanium multiphase equation of state
Crockett, Scott D.; Lorenzi-Venneri, Giulia De; Kress, Joel D.; Rudin, Sven P.
2014-05-07
A new SESAME multiphase germanium equation of state (EOS) has been developed using the best available experimental data and density functional theory (DFT) calculations. The equilibrium EOS includes the Ge I (diamond), the Ge II (β-Sn) and the liquid phases. The foundation of the EOS is based on density functional theory calculations which are used to determine the cold curve and the Debye temperature. Results are compared to Hugoniot data through the solid-solid and solid-liquid transitions. We propose some experiments to better understand the dynamics of this element
Product equation of state for polysulfone
Ticknor, Christopher
2015-09-30
Here we review the new polysulfone product equation of state (EOS) made with magpie, a chemical equilibrium code.
The equation of state of nuclear matter
Gandolfi, Stefano; Carlson, Joseph Allen
2015-06-30
A brief status report of research on equation of state (EOS) of nuclear matter is provided, along with two graphs.
Equation determines pressure drop in coiled tubing
Yang, Y.S.
1995-12-04
A single equation can determine the pressure drop in wells with laminar, transitional, and turbulent incompressible fluid flow in coiled tubing or other steel tubulars. The single equation is useful, especially in computer-aided design and operations. The equation is derived and illustrated by an example.
Boundary conditions for the subdiffusion equation
Shkilev, V. P.
2013-04-15
The boundary conditions for the subdiffusion equations are formulated using the continuous-time random walk model, as well as several versions of the random walk model on an irregular lattice. It is shown that the boundary conditions for the same equation in different models have different forms, and this difference considerably affects the solutions of this equation.
Scalable Equation of State Capability
Epperly, T W; Fritsch, F N; Norquist, P D; Sanford, L A
2007-12-03
The purpose of this techbase project was to investigate the use of parallel array data types to reduce the memory footprint of the Livermore Equation Of State (LEOS) library. Addressing the memory scalability of LEOS is necessary to run large scientific simulations on IBM BG/L and future architectures with low memory per processing core. We considered using normal MPI, one-sided MPI, and Global Arrays to manage the distributed array and ended up choosing Global Arrays because it was the only communication library that provided the level of asynchronous access required. To reduce the runtime overhead using a parallel array data structure, a least recently used (LRU) caching algorithm was used to provide a local cache of commonly used parts of the parallel array. The approach was initially implemented in a isolated copy of LEOS and was later integrated into the main trunk of the LEOS Subversion repository. The approach was tested using a simple test. Testing indicated that the approach was feasible, and the simple LRU caching had a 86% hit rate.
Double distributions and evolution equations
A.V. Radyushkin
1998-05-01
Applications of perturbative QCD to deeply virtual Compton scattering and hard exclusive meson electroproduction processes require a generalization of usual parton distributions for the case when long-distance information is accumulated in nonforward matrix elements < p{prime} {vert_bar}O(0,z){vert_bar}p > of quark and gluon light-cone operators. In their previous papers the authors used two types of nonperturbative functions parameterizing such matrix elements: double distributions F(x,y;t) and nonforward distribution functions F{sub {zeta}}(X;t). Here they discuss in more detail the double distributions (DD's) and evolution equations which they satisfy. They propose simple models for F(x,y;t=0) DD's with correct spectral and symmetry properties which also satisfy the reduction relations connecting them to the usual parton densities f(x). In this way, they obtain self-consistent models for the {zeta}-dependence of nonforward distributions. They show that, for small {zeta}, one can easily obtain nonforward distributions (in the X > {zeta} region) from the parton densities: F{sub {zeta}} (X;t=0) {approx} f(X{minus}{zeta}/2).
Darboux transformation for the NLS equation
Aktosun, Tuncay; Mee, Cornelis van der
2010-03-08
We analyze a certain class of integral equations associated with Marchenko equations and Gel'fand-Levitan equations. Such integral equations arise through a Fourier transformation on various ordinary differential equations involving a spectral parameter. When the integral operator is perturbed by a finite-rank perturbation, we explicitly evaluate the change in the solution in terms of the unperturbed quantities and the finite-rank perturbation. We show that this result provides a fundamental approach to derive Darboux transformations for various systems of ordinary differential operators. We illustrate our theory by providing the explicit Darboux transformation for the Zakharov-Shabat system and show how the potential and wave function change when a simple discrete eigenvalue is added to the spectrum, and thus we also provide a one-parameter family of Darboux transformations for the nonlinear Schroedinger equation.
The Boltzmann equation in the difference formulation
Szoke, Abraham; Brooks III, Eugene D.
2015-05-06
First we recall the assumptions that are needed for the validity of the Boltzmann equation and for the validity of the compressible Euler equations. We then present the difference formulation of these equations and make a connection with the time-honored Chapman - Enskog expansion. We discuss the hydrodynamic limit and calculate the thermal conductivity of a monatomic gas, using a simplified approximation for the collision term. Our formulation is more consistent and simpler than the traditional derivation.
The generalized SchrdingerLangevin equation
Bargueo, Pedro; Miret-Arts, Salvador
2014-07-15
In this work, for a Brownian particle interacting with a heat bath, we derive a generalization of the so-called SchrdingerLangevin or Kostin equation. This generalization is based on a nonlinear interaction model providing a state-dependent dissipation process exhibiting multiplicative noise. Two straightforward applications to the measurement process are then analyzed, continuous and weak measurements in terms of the quantum Bohmian trajectory formalism. Finally, it is also shown that the generalized uncertainty principle, which appears in some approaches to quantum gravity, can be expressed in terms of this generalized equation. -- Highlights: We generalize the Kostin equation for arbitrary systembath coupling. This generalization is developed both in the Schrdinger and Bohmian formalisms. We write the generalized Kostin equation for two measurement problems. We reformulate the generalized uncertainty principle in terms of this equation.
Fokker-Planck equation in mirror research
Post, R.F.
1983-08-11
Open confinement systems based on the magnetic mirror principle depend on the maintenance of particle distributions that may deviate substantially from Maxwellian distributions. Mirror research has therefore from the beginning relied on theoretical predictions of non-equilibrium rate processes obtained from solutions to the Fokker-Planck equation. The F-P equation plays three roles: Design of experiments, creation of classical standards against which to compare experiment, and predictions concerning mirror based fusion power systems. Analytical and computational approaches to solving the F-P equation for mirror systems will be reviewed, together with results and examples that apply to specific mirror systems, such as the tandem mirror.
Equator Appliance: ENERGY STAR Referral (EZ 3720)
DOE referred Equator Appliance clothes washer EZ 3720 to EPA, brand manager of the ENERGY STAR program, for appropriate action after DOE testing revealed that the model does not meet ENERGY STAR requirements.
Pierantozzi, T.; Vazquez, L.
2005-11-01
Through fractional calculus and following the method used by Dirac to obtain his well-known equation from the Klein-Gordon equation, we analyze a possible interpolation between the Dirac and the diffusion equations in one space dimension. We study the transition between the hyperbolic and parabolic behaviors by means of the generalization of the D'Alembert formula for the classical wave equation and the invariance under space and time inversions of the interpolating fractional evolution equations Dirac like. Such invariance depends on the values of the fractional index and is related to the nonlocal property of the time fractional differential operator. For this system of fractional evolution equations, we also find an associated conserved quantity analogous to the Hamiltonian for the classical Dirac case.
Probability Density Function Method for Langevin Equations with...
Office of Scientific and Technical Information (OSTI)
Language: English Subject: PDF method, uncertainty quantification, Langevin equation, Fokker-Planck equation, colored-noise, Large-Eddy-Diffusivity approximation Word Cloud More ...
Equation of State Measurements by Radiography Provide Evidence...
Office of Scientific and Technical Information (OSTI)
Equation of State Measurements by Radiography Provide Evidence for a Liquid-Liquid Phase Transition in Cerium Citation Details In-Document Search Title: Equation of State ...
Nonparametric reconstruction of the dark energy equation of state...
Office of Scientific and Technical Information (OSTI)
energy equation of state from diverse data sets Citation Details In-Document Search Title: Nonparametric reconstruction of the dark energy equation of state from diverse data ...
An Acoustic Wave Equation for Tilted Transversely Isotropic Media...
Office of Scientific and Technical Information (OSTI)
An Acoustic Wave Equation for Tilted Transversely Isotropic Media Citation Details In-Document Search Title: An Acoustic Wave Equation for Tilted Transversely Isotropic Media ...
Iterative solution of Hermite boundary integral equations (Journal...
Office of Scientific and Technical Information (OSTI)
Iterative solution of Hermite boundary integral equations Citation Details In-Document Search Title: Iterative solution of Hermite boundary integral equations An efficient ...
Equation of State from Lattice QCD Calculations (Conference)...
Office of Scientific and Technical Information (OSTI)
Conference: Equation of State from Lattice QCD Calculations Citation Details In-Document Search Title: Equation of State from Lattice QCD Calculations You are accessing a...
Probability Density Function Method for Langevin Equations with...
Office of Scientific and Technical Information (OSTI)
Probability Density Function Method for Langevin Equations with Colored Noise Citation Details In-Document Search Title: Probability Density Function Method for Langevin Equations ...
Solves the Multigroup Neutron Diffusion Equation
Energy Science and Technology Software Center (OSTI)
1995-06-23
GNOMER is a program which solves the multigroup neutron diffusion equation in 1D, 2D and 3D cartesian geometry. The program is designed to calculate the global core power distributions (with thermohydraulic feedbacks), as well as power distribution and homogenized cross sections over a fuel assembly.
Ultra Deep Wave Equation Imaging and Illumination
Alexander M. Popovici; Sergey Fomel; Paul Sava; Sean Crawley; Yining Li; Cristian Lupascu
2006-09-30
In this project we developed and tested a novel technology, designed to enhance seismic resolution and imaging of ultra-deep complex geologic structures by using state-of-the-art wave-equation depth migration and wave-equation velocity model building technology for deeper data penetration and recovery, steeper dip and ultra-deep structure imaging, accurate velocity estimation for imaging and pore pressure prediction and accurate illumination and amplitude processing for extending the AVO prediction window. Ultra-deep wave-equation imaging provides greater resolution and accuracy under complex geologic structures where energy multipathing occurs, than what can be accomplished today with standard imaging technology. The objective of the research effort was to examine the feasibility of imaging ultra-deep structures onshore and offshore, by using (1) wave-equation migration, (2) angle-gathers velocity model building, and (3) wave-equation illumination and amplitude compensation. The effort consisted of answering critical technical questions that determine the feasibility of the proposed methodology, testing the theory on synthetic data, and finally applying the technology for imaging ultra-deep real data. Some of the questions answered by this research addressed: (1) the handling of true amplitudes in the downward continuation and imaging algorithm and the preservation of the amplitude with offset or amplitude with angle information required for AVO studies, (2) the effect of several imaging conditions on amplitudes, (3) non-elastic attenuation and approaches for recovering the amplitude and frequency, (4) the effect of aperture and illumination on imaging steep dips and on discriminating the velocities in the ultra-deep structures. All these effects were incorporated in the final imaging step of a real data set acquired specifically to address ultra-deep imaging issues, with large offsets (12,500 m) and long recording time (20 s).
Dark soliton solution of Sasa-Satsuma equation
Ohta, Y.
2010-03-08
The Sasa-Satsuma equation is a higher order nonlinear Schroedinger type equation which admits bright soliton solutions with internal freedom. We present the dark soliton solutions for the equation by using Gram type determinant. The dark solitons have no internal freedom and exist for both defocusing and focusing equations.
Wang, Chi-Jen
2013-01-01
In this thesis, we analyze both the spatiotemporal behavior of: (A) non-linear “reaction” models utilizing (discrete) reaction-diffusion equations; and (B) spatial transport problems on surfaces and in nanopores utilizing the relevant (continuum) diffusion or Fokker-Planck equations. Thus, there are some common themes in these studies, as they all involve partial differential equations or their discrete analogues which incorporate a description of diffusion-type processes. However, there are also some qualitative differences, as shall be discussed below.
Changing the Equation in STEM Education
Editor's Note: This is a cross post of an announcement that the White House featured on its blog last week. Check out the video below for Secretary Chu's thoughts on how an education in math and science helps students understand the world and deal with the pressing issues of our time. Today, President Obama announced the launch of Change the Equation, a CEO-led effort to dramatically improve education in science, technology, engineering, and math (STEM), as part of his “Educate to Innovate” campaign. Change the Equation is a non-profit organization dedicated to mobilizing the business community to improve the quality of STEM education in the United States.
The quasicontinuum Fokker-Plank equation
Alexander, Francis J
2008-01-01
We present a regularized Fokker-Planck equation with more accurate short-time and high-frequency behavior for continuous-time, discrete-state systems. The regularization preserves crucial aspects of state-space discreteness lost in the standard Kramers-Moyal expansion. We apply the method to a simple example of biochemical reaction kinetics and to a two-dimensional symmetric random walk, and suggest its application to more complex systerns.
Development of surface mine cost estimating equations
Not Available
1980-09-26
Cost estimating equations were developed to determine capital and operating costs for five surface coal mine models in Central Appalachia, Northern Appalachia, Mid-West, Far-West, and Campbell County, Wyoming. Engineering equations were used to estimate equipment costs for the stripping function and for the coal loading and hauling function for the base case mine and for several mines with different annual production levels and/or different overburden removal requirements. Deferred costs were then determined through application of the base case depreciation schedules, and direct labor costs were easily established once the equipment quantities (and, hence, manpower requirements) were determined. The data points were then fit with appropriate functional forms, and these were then multiplied by appropriate adjustment factors so that the resulting equations yielded the model mine costs for initial and deferred capital and annual operating cost. (The validity of this scaling process is based on the assumption that total initial and deferred capital costs are proportional to the initial and deferred costs for the primary equipment types that were considered and that annual operating cost is proportional to the direct labor costs that were determined based on primary equipment quantities.) Initial capital costs ranged from $3,910,470 in Central Appalachia to $49,296,785; deferred capital costs ranged from $3,220,000 in Central Appalachia to $30,735,000 in Campbell County, Wyoming; and annual operating costs ranged from $2,924,148 in Central Appalachia to $32,708,591 in Campbell County, Wyoming. (DMC)
Solving the Schroedinger equation using Smolyak interpolants
Avila, Gustavo; Carrington, Tucker Jr.
2013-10-07
In this paper, we present a new collocation method for solving the Schroedinger equation. Collocation has the advantage that it obviates integrals. All previous collocation methods have, however, the crucial disadvantage that they require solving a generalized eigenvalue problem. By combining Lagrange-like functions with a Smolyak interpolant, we device a collocation method that does not require solving a generalized eigenvalue problem. We exploit the structure of the grid to develop an efficient algorithm for evaluating the matrix-vector products required to compute energy levels and wavefunctions. Energies systematically converge as the number of points and basis functions are increased.
Canonical equations of ideal magnetic hydrodynamics
Gorskii, V.B.
1987-07-01
Ideal magnetohydrodynamics is used to consider a general class of adiabatic flow in magnetic liquids. Two invariants of the canonical equations of motion--Hamiltonian and Lagrangian--are determined in terms of the canonical variables by using the approximate variational formulations. The resulting model describes adiabatic three-dimensional flow of a nonviscous compressible liquid with ideal electric conductivity and zero heat conductivity. A Clebsch transformation is used to arrive at a form of the Lagrange-Cauchy integral for a vortex flow.
Sandia Equation of State Model Library
Energy Science and Technology Software Center (OSTI)
2013-08-29
The software provides a general interface for querying thermodynamic states of material models along with implementation of both general and specific equation of state models. In particular, models are provided for the IAPWS-IF97 and IAPWS95 water standards as well as the associated water standards for viscosity, thermal conductivity, and surface tension. The interface supports implementation of models in a variety of independent variable spaces. Also, model support routines are included that allow for coupling ofmore » models and determination and representation of phase boundaries.« less
The equation of motion of an electron
Kim, K.; Sessler, A.M.
1999-07-01
We review the current status of understanding of the equation of motion of an electron. Classically, a consistent, linearized theory exists for an electron of finite extent, as long as the size of the electron is larger than the classical electron radius. Nonrelativistic quantum mechanics seems to offer a fine theory even in the point particle limit. Although there is as yet no convincing calculation, it is probable that a quantum electrodynamical result will be at least as well-behaved as is the nonrelativistic quantum mechanical results. {copyright} {ital 1999 American Institute of Physics.}
Efficient solution of the simplified PN equations
Hamilton, Steven P.; Evans, Thomas M.
2014-12-23
We show new solver strategies for the multigroup SPN equations for nuclear reactor analysis. By forming the complete matrix over space, moments, and energy a robust set of solution strategies may be applied. Moreover, power iteration, shifted power iteration, Rayleigh quotient iteration, Arnoldi's method, and a generalized Davidson method, each using algebraic and physics-based multigrid preconditioners, have been compared on C5G7 MOX test problem as well as an operational PWR model. These results show that the most ecient approach is the generalized Davidson method, that is 30-40 times faster than traditional power iteration and 6-10 times faster than Arnoldi's method.
Propagation of ultra-short solitons in stochastic Maxwell's equations
Kurt, Levent; Schäfer, Tobias
2014-01-15
We study the propagation of ultra-short short solitons in a cubic nonlinear medium modeled by nonlinear Maxwell's equations with stochastic variations of media. We consider three cases: variations of (a) the dispersion, (b) the phase velocity, (c) the nonlinear coefficient. Using a modified multi-scale expansion for stochastic systems, we derive new stochastic generalizations of the short pulse equation that approximate the solutions of stochastic nonlinear Maxwell's equations. Numerical simulations show that soliton solutions of the short pulse equation propagate stably in stochastic nonlinear Maxwell's equations and that the generalized stochastic short pulse equations approximate the solutions to the stochastic Maxwell's equations over the distances under consideration. This holds for both a pathwise comparison of the stochastic equations as well as for a comparison of the resulting probability densities.
Differential form of the Skornyakov-Ter-Martirosyan Equations
Pen'kov, F. M.; Sandhas, W.
2005-12-15
The Skornyakov-Ter-Martirosyan three-boson integral equations in momentum space are transformed into differential equations. This allows us to take into account quite directly the Danilov condition providing self-adjointness of the underlying three-body Hamiltonian with zero-range pair interactions. For the helium trimer the numerical solutions of the resulting differential equations are compared with those of the Faddeev-type AGS equations.
Thermal equation of state and spin transition of magnesiosiderite...
Office of Scientific and Technical Information (OSTI)
Citation Details In-Document Search Title: Thermal equation of ... Subject: catalysis (heterogeneous), solar (photovoltaic), phonons, thermoelectric, energy storage (including ...
Equations for plutonium and americium-241 decay corrections ...
Office of Scientific and Technical Information (OSTI)
PLUTONIUM; ACCOUNTING; CORRECTIONS; DIFFERENTIAL EQUATIONS; ISOTOPE RATIO; NUCLEAR MATERIALS MANAGEMENT; TIME DEPENDENCE; ACTINIDE ISOTOPES; ACTINIDE NUCLEI; ACTINIDES; ALPHA ...
Conservation properties and potential systems of vorticity-type equations
Cheviakov, Alexei F.
2014-03-15
Partial differential equations of the form divN=0, N{sub t}+curl M=0 involving two vector functions in R{sup 3} depending on t, x, y, z appear in different physical contexts, including the vorticity formulation of fluid dynamics, magnetohydrodynamics (MHD) equations, and Maxwell's equations. It is shown that these equations possess an infinite family of local divergence-type conservation laws involving arbitrary functions of space and time. Moreover, it is demonstrated that the equations of interest have a rather special structure of a lower-degree (degree two) conservation law in R{sup 4}(t,x,y,z). The corresponding potential system has a clear physical meaning. For the Maxwell's equations, it gives rise to the scalar electric and the vector magnetic potentials; for the vorticity equations of fluid dynamics, the potentialization inverts the curl operator to yield the fluid dynamics equations in primitive variables; for MHD equations, the potential equations yield a generalization of the Galas-Bogoyavlenskij potential that describes magnetic surfaces of ideal MHD equilibria. The lower-degree conservation law is further shown to yield curl-type conservation laws and determined potential equations in certain lower-dimensional settings. Examples of new nonlocal conservation laws, including an infinite family of nonlocal material conservation laws of ideal time-dependent MHD equations in 2+1 dimensions, are presented.
Point model equations for neutron correlation counting: Extension of Böhnel's equations to any order
Favalli, Andrea; Croft, Stephen; Santi, Peter
2015-06-15
Various methods of autocorrelation neutron analysis may be used to extract information about a measurement item containing spontaneously fissioning material. The two predominant approaches being the time correlation analysis (that make use of a coincidence gate) methods of multiplicity shift register logic and Feynman sampling. The common feature is that the correlated nature of the pulse train can be described by a vector of reduced factorial multiplet rates. We call these singlets, doublets, triplets etc. Within the point reactor model the multiplet rates may be related to the properties of the item, the parameters of the detector, and basic nuclearmore » data constants by a series of coupled algebraic equations – the so called point model equations. Solving, or inverting, the point model equations using experimental calibration model parameters is how assays of unknown items is performed. Currently only the first three multiplets are routinely used. In this work we develop the point model equations to higher order multiplets using the probability generating functions approach combined with the general derivative chain rule, the so called Faà di Bruno Formula. Explicit expression up to 5th order are provided, as well the general iterative formula to calculate any order. This study represents the first necessary step towards determining if higher order multiplets can add value to nondestructive measurement practice for nuclear materials control and accountancy.« less
Point model equations for neutron correlation counting: Extension of Böhnel's equations to any order
Favalli, Andrea; Croft, Stephen; Santi, Peter
2015-06-15
Various methods of autocorrelation neutron analysis may be used to extract information about a measurement item containing spontaneously fissioning material. The two predominant approaches being the time correlation analysis (that make use of a coincidence gate) methods of multiplicity shift register logic and Feynman sampling. The common feature is that the correlated nature of the pulse train can be described by a vector of reduced factorial multiplet rates. We call these singlets, doublets, triplets etc. Within the point reactor model the multiplet rates may be related to the properties of the item, the parameters of the detector, and basic nuclear data constants by a series of coupled algebraic equations – the so called point model equations. Solving, or inverting, the point model equations using experimental calibration model parameters is how assays of unknown items is performed. Currently only the first three multiplets are routinely used. In this work we develop the point model equations to higher order multiplets using the probability generating functions approach combined with the general derivative chain rule, the so called Faà di Bruno Formula. Explicit expression up to 5th order are provided, as well the general iterative formula to calculate any order. This study represents the first necessary step towards determining if higher order multiplets can add value to nondestructive measurement practice for nuclear materials control and accountancy.
The Raychaudhuri equation in homogeneous cosmologies
Albareti, F.D.; Cembranos, J.A.R.; Cruz-Dombriz, A. de la; Dobado, A. E-mail: cembra@fis.ucm.es E-mail: dobado@fis.ucm.es
2014-03-01
In this work we address the issue of studying the conditions required to guarantee the Focusing Theorem for both null and timelike geodesic congruences by using the Raychaudhuri equation. In particular we study the case of Friedmann-Robertson-Walker as well as more general Bianchi Type I spacetimes. The fulfillment of the Focusing Theorem is mandatory in small scales since it accounts for the attractive character of gravity. However, the Focusing Theorem is not satisfied at cosmological scales due to the measured negative deceleration parameter. The study of the conditions needed for congruences convergence is not only relevant at the fundamental level but also to derive the viability conditions to be imposed on extended theories of gravity describing the different expansion regimes of the universe. We illustrate this idea for f(R) gravity theories.
Equations determine coiled tubing collapse pressure
Avakov, V.; Taliaferro, W.
1995-07-24
A set of equations has been developed for calculating pipe collapse pressure for oval tubing such as coiled tubing. When coiled tubing is placed onto a reel, the tubing is forced into an oval shape and never again returns to perfect roundness because the coiling process exceeds the plasticity limits of the tubing. Straightening the tubing for the trip into the well does not restore roundness. The consequence of this physical property is that all coiled tubing collapse pressure calculations should be made considering oval tubing, not round tubing. Tubing collapse can occur when formation pressure against the coiled tubing exceeds the collapse resistance inherent in the coiled tubing. As coiled tubing becomes more oval in shape, it becomes more oval in shape, it becomes more susceptible to collapse from outside pressure.
Assessment of UF6 Equation of State
Brady, P; Chand, K; Warren, D; Vandersall, J
2009-02-11
A common assumption in the mathematical analysis of flows of compressible fluids is to treat the fluid as a perfect gas. This is an approximation, as no real fluid obeys the perfect gas relationships over all temperature and pressure conditions. An assessment of the validity of treating the UF{sub 6} gas flow field within a gas centrifuge with perfect gas relationships has been conducted. The definition of a perfect gas is commonly stated in two parts: (1) the gas obeys the thermal equation of state, p = {rho}RT (thermally perfect), and, (2) the gas specific heats are constant (calorically perfect). Analysis indicates the thermally perfect assumption is valid for all flow conditions within the gas centrifuge, including shock fields. The low operating gas pressure is the primary factor in the suitability of the thermally perfect equation of state for gas centrifuge computations. UF{sub 6} is not calorically perfect, as the specific heats vary as a function of temperature. This effect is insignificant within the bulk of the centrifuge gas field, as gas temperatures vary over a narrow range. The exception is in the vicinity of shock fields, where temperature, pressure, and density gradients are large, and the variation of specific heats with temperature should be included in the technically detailed analyses. Results from a normal shock analysis incorporating variable specific heats is included herein, presented in the conventional form of shock parameters as a function of inlet Mach Number. The error introduced by assuming constant specific heats is small for a nominal UF{sub 6} shock field, such that calorically perfect shock relationships can be used for scaling and initial analyses. The more rigorous imperfect gas analysis should be used for detailed analyses.
Complete Mie-Gruneisen Equation of State
Menikoff, Ralph
2012-06-28
The Mie-Gruneisen equation of state (EOS) is frequently used in hydro simulations to model solids at high pressure (up to a few Mb). It is an incomplete EOS characterized by a Gruneisen coefficient, {Lambda} = -V({partial_derivative}{sub e}P){sub V}, that is a function of only V. Expressions are derived for isentropes and isotherms. This enables the extension to a complete EOS. Thermodynamic consistency requires that the specific heat is a function of a single scaled temperature. A complete extension is uniquely determined by the temperature dependence of the specific heat at a fixed reference density. In addition we show that if the domain of the EOS extends to T = 0 and the specific heat vanishes on the zero isotherm then {Lambda} a function of only V is equivalent to a specific heat with a single temperature scale. If the EOS domain does not include the zero isotherm, then a specific heat with a single temperature scale leads to a generalization of the Mie-Gruneisen EOS in which the pressure is linear in both the specific energy and the temperature. Such an EOS has previously been used to model liquid nitromethane.
A new least-squares transport equation compatible with voids
Hansen, J. B.; Morel, J. E.
2013-07-01
We define a new least-squares transport equation that is applicable in voids, can be solved using source iteration with diffusion-synthetic acceleration, and requires only the solution of an independent set of second-order self-adjoint equations for each direction during each source iteration. We derive the equation, discretize it using the S{sub n} method in conjunction with a linear-continuous finite-element method in space, and computationally demonstrate various of its properties. (authors)
Validity of ELTB Equation for Suitable Description of BEC
Kim, Dooyoung; Kim, Jinguanghao; Yoon, Jin-Hee
2005-10-17
The Bose-Einstein condensation (BEC) has been found for various alkali-metal gases such as 7Li, 87Rb, Na, and H. For the description of atoms in this condensate state, the Gross-Pitaevskii (GP) equation has been widely used. However, the GP equation contains the nonlinear term, which makes this equation hard to solve. Therefore, physical quantities are usually obtained numerically, and sometimes it is difficult to extract a physical meaning from the calculated results. The nuclear theory group at Purdue University in the U.S. developed a new simple equation, the equivalent linear two-body (ELTB) equation, using the hyper-radius coordinates and tested it for one-dimensional BEC system. Their results are consistent with the numerical values from the GP equation within 4.5%.We test the validity of the ELTB equation for three-dimensional BEC system by calculating the energies per particle and the wave functions for 87Rb gas and for 7Li gas. We use the quantum-mechanical variational method for the BEC energy. Our result for 87Rb gas agrees with a numerical calculation based on the GP equation, with a relative error of 12% over a wide range of N from 100 to 10,000. The relative distances between particles for 7Li gas are consistent within a relative error of 17% for N {<=} 1300. The relatively simple form of the ELTB equation, compared with the GP equation, enables us to treat the N-body system easily and efficiently. We conclude that the ELTB equation is a powerful equation for describing BEC system because it is easy to treat.
Power-law spatial dispersion from fractional Liouville equation
Tarasov, Vasily E.
2013-10-15
A microscopic model in the framework of fractional kinetics to describe spatial dispersion of power-law type is suggested. The Liouville equation with the Caputo fractional derivatives is used to obtain the power-law dependence of the absolute permittivity on the wave vector. The fractional differential equations for electrostatic potential in the media with power-law spatial dispersion are derived. The particular solutions of these equations for the electric potential of point charge in this media are considered.
An Acoustic Wave Equation for Tilted Transversely Isotropic Media...
Office of Scientific and Technical Information (OSTI)
Citation Details In-Document Search Title: An Acoustic Wave Equation for Tilted Transversely Isotropic Media A finite-difference method for computing the first arrival traveltimes ...
Felix Bloch, Nuclear Induction, Bloch Equations, Bloch Theorem...
Office of Scientific and Technical Information (OSTI)
... Landmarks: NMR-- Grandmother of MRI, American Physical Society (APS) Chronology - Bloch (Felix) Papers; Online Archive of California, Stanford University Archives Bloch Equations ...
Covariant functional diffusion equation for Polyakov's bosonic string
Botelho, L. C. L.
1989-07-15
I write a covariant functional diffusion equation for Polyakov's bosonic string with the string's world-sheet area playing the role of proper time.
Penetration equations Young, C.W. [Applied Research Associates...
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45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEFENSE; EARTH PENETRATORS; EQUATIONS; NUCLEAR WEAPONS; SOILS; ICE; ROCKS; CONCRETES; PERMAFROST; SCALING LAWS In 1967, Sandia...
A Least-Squares Transport Equation Compatible with Voids
Hansen, Jon; Peterson, Jacob; Morel, Jim; Ragusa, Jean; Wang, Yaqi
2014-12-01
Standard second-order self-adjoint forms of the transport equation, such as the even-parity, odd-parity, and self-adjoint angular flux equation, cannot be used in voids. Perhaps more important, they experience numerical convergence difficulties in near-voids. Here we present a new form of a second-order self-adjoint transport equation that has an advantage relative to standard forms in that it can be used in voids or near-voids. Our equation is closely related to the standard least-squares form of the transport equation with both equations being applicable in a void and having a nonconservative analytic form. However, unlike the standard least-squares form of the transport equation, our least-squares equation is compatible with source iteration. It has been found that the standard least-squares form of the transport equation with a linear-continuous finite-element spatial discretization has difficulty in the thick diffusion limit. Here we extensively test the 1D slab-geometry version of our scheme with respect to void solutions, spatial convergence rate, and the intermediate and thick diffusion limits. We also define an effective diffusion synthetic acceleration scheme for our discretization. Our conclusion is that our least-squares S_{n} formulation represents an excellent alternative to existing second-order S_{n} transport formulations
Solving the power flow equations: a monotone operator approach...
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Technical Report: Solving the power flow equations: a monotone operator approach Citation ... In this paper, we solve this problem using the theory of monotone operators. We show that ...
Adjoint Fokker-Planck equation and runaway electron dynamics...
Office of Scientific and Technical Information (OSTI)
This content will become publicly available on January 13, 2017 Title: Adjoint Fokker-Planck equation and runaway electron dynamics Authors: Liu, Chang 1 ; Brennan, Dylan P. 1 ...
Scientists compose complex math equations to replicate behaviors...
U.S. Department of Energy (DOE) all webpages (Extended Search)
Climate Models: Rob Jacob Scientists compose complex math equations to replicate behaviors ... It's math in action. A global model depends on submodels Submodels can be broken into two ...
SCIENCE ON SATURDAY- "Disastrous Equations: The Role of Mathematics...
U.S. Department of Energy (DOE) all webpages (Extended Search)
SCIENCE ON SATURDAY- "Disastrous Equations: The Role of Mathematics in Understanding Tsunami" Professor J. Douglas Wright, Associate Professor Department of Mathematics, Drexel ...
Slyusarchuk, V. E. E-mail: V.Ye.Slyusarchuk@NUWM.rv.ua
2014-06-01
The well-known theorems of Favard and Amerio on the existence of almost periodic solutions to linear and nonlinear almost periodic differential equations depend to a large extent on the H-classes and the requirement that the bounded solutions of these equations be separated. The present paper provides different conditions for the existence of almost periodic solutions. These conditions, which do not depend on the H-classes of the equations, are formulated in terms of a special functional on the set of bounded solutions of the equations under consideration. This functional is used, in particular, to test whether solutions are separated. Bibliography: 24 titles. (paper)
Stochastic differential equations and numerical simulation for pedestrians
Garrison, J.C.
1993-07-27
The mathematical foundation of the Ito interpretation of stochastic ordinary and partial differential equations is briefly explained. This provides the basis for a review of simple difference approximations to stochastic differential equations. An example arising in the theory of optical switching is discussed.
Stable Difference Schemes for the Neutron Transport Equation
Ashyralyev, Allaberen; Taskin, Abdulgafur
2011-09-22
The initial boundary value problem for the neutron transport equation is considered. The first and second orders of accuracy difference schemes for the approximate solution of this problem are presented. In applications, the stability estimates for solutions of difference schemes for the approximate solution of the neutron transport equation are obtained. Numerical techniques are developed and algorithms are tested on an example in MATLAB.
The modified equation for spinless particles and superalgebra
Sadeghi, J.; Rostami, M.; Sadeghi, Z.
2013-09-15
In this paper we consider modified wave equations for spinless particles in an external magnetic field. We consider 4-potentials which guarantee Lorentz' and Coulomb's conditions. The new variable for modified wave equation leads us to consider the associated Laguerre differential equation. We take advantage of the factorization method in Laguerre differential equation and solve the modified equation. In order to obtain the wave function, energy spectrum and its quantization, we will establish conditions for the orbital quantum number. We account such orbital quantum number and obtain the raising and lowering operators. If we want to have supersymmetry partners, we need to apply the shape invariance condition. This condition for the partner potential will help us find the limit of ρ as ρ=±√(l)
BHR equations re-derived with immiscible particle effects
Schwarzkopf, John Dennis; Horwitz, Jeremy A.
2015-05-01
Compressible and variable density turbulent flows with dispersed phase effects are found in many applications ranging from combustion to cloud formation. These types of flows are among the most challenging to simulate. While the exact equations governing a system of particles and fluid are known, computational resources limit the scale and detail that can be simulated in this type of problem. Therefore, a common method is to simulate averaged versions of the flow equations, which still capture salient physics and is relatively less computationally expensive. Besnard developed such a model for variable density miscible turbulence, where ensemble-averaging was applied to the flow equations to yield a set of filtered equations. Besnard further derived transport equations for the Reynolds stresses, the turbulent mass flux, and the density-specific volume covariance, to help close the filtered momentum and continuity equations. We re-derive the exact BHR closure equations which include integral terms owing to immiscible effects. Physical interpretations of the additional terms are proposed along with simple models. The goal of this work is to extend the BHR model to allow for the simulation of turbulent flows where an immiscible dispersed phase is non-trivially coupled with the carrier phase.
Time-dependent closure relations for relativistic collisionless fluid equations
Bendib-Kalache, K.; Bendib, A.; El Hadj, K. Mohammed
2010-11-15
Linear fluid equations for relativistic and collisionless plasmas are derived. Closure relations for the fluid equations are analytically computed from the relativistic Vlasov equation in the Fourier space ({omega},k), where {omega} and k are the conjugate variables of time t and space x variables, respectively. The mathematical method used is based on the projection operator techniques and the continued fraction mathematical tools. The generalized heat flux and stress tensor are calculated for arbitrary parameter {omega}/kc where c is the speed of light, and for arbitrary relativistic parameter z=mc{sup 2}/T, where m is the particle rest mass and T, the plasma temperature in energy units.
The fundamental solution of the unidirectional pulse propagation equation
Babushkin, I.; Bergé, L.
2014-03-15
The fundamental solution of a variant of the three-dimensional wave equation known as “unidirectional pulse propagation equation” (UPPE) and its paraxial approximation is obtained. It is shown that the fundamental solution can be presented as a projection of a fundamental solution of the wave equation to some functional subspace. We discuss the degree of equivalence of the UPPE and the wave equation in this respect. In particular, we show that the UPPE, in contrast to the common belief, describes wave propagation in both longitudinal and temporal directions, and, thereby, its fundamental solution possesses a non-causal character.
Exact solution of the self-consistent Vlasov equation
Morawetz, K.
1997-03-01
An analytical solution of the self-consistent Vlasov equation is presented. The time evolution is entirely determined by the initial distribution function. The largest Lyapunov exponent is calculated analytically. For special parameters of the potential a positive Lyapunov exponent is possible. This model may serve as a check for numerical codes solving self-consistent Vlasov equations. The here presented method is also applicable for any system with an analytical solution of the Hamilton equation for the form factor of the potential. {copyright} {ital 1997} {ital The American Physical Society}
Variational principles for eigenvalues of the Klein-Gordon equation
Langer, Matthias; Tretter, Christiane
2006-10-15
In this paper variational principles for eigenvalues of an abstract model of the Klein-Gordon equation with electromagnetic potential are established. They are used to characterize and estimate eigenvalues in cases where the essential spectrum has a gap around 0, even in the presence of complex eigenvalues. As a consequence, a comparison between eigenvalues of the Klein-Gordon equation in R{sup d} and eigenvalues of certain Schroedinger operators is obtained. The results are illustrated on examples including the Klein-Gordon equation with Coulomb and square-well potential.
New Dirac equation from the view point of particle
Ozaydin, Fatih; Altintas, Azmi Ali; Susam, Lidya Amon; Arik, Metin; Yarman, Tolga
2012-09-06
According to the classical approach, especially the Lorentz Invariant Dirac Equation, when particles are bound to each other, the interaction term appears as a quantity belonging to the 'field'. In this work, as a totally new approach, we propose to alter the rest masses of the particles due to their interaction, as much as their respective contributions to the static binding energy. Thus we re-write and solve the Dirac Equation for the hydrogen atom, and amazingly, obtain practically the same numerical results for the ground states, as those obtained from the Dirac Equation.
Numerical solution of control problems governed by nonlinear differential equations
Heinkenschloss, M.
1994-12-31
In this presentation the author investigates an iterative method for the solution of optimal control problems. These problems are formulated as constrained optimization problems with constraints arising from the state equation and in the form of bound constraints on the control. The method for the solution of these problems uses the special structure of the problem arising from the bound constraint and the state equation. It is derived from SQP methods and projected Newton methods and combines the advantages of both methods. The bound constraint is satisfied by all iterates using a projection, the nonlinear state equation is satisfied in the limit. Only a linearized state equation has to be solved in every iteration. The solution of the linearized problems are done using multilevel methods and GMRES.
Equator Appliance: ENERGY STAR Referral (EZ 3720 CEE)
DOE referred the matter of Equator clothes washer model EZ 3720 CEE to the EPA for appropriate action after DOE testing showed that the model does not meet the ENERGY STAR specification.
Constraining the equation of state of superhadronic matter from...
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The equation of state of QCD matter for temperatures near and above the quark-hadron transition (165 MeV) is inferred within a Bayesian framework through the comparison of data ...
Green Computing Helps in Zero Energy Equation - News Feature...
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Green Computing Helps in Zero Energy Equation April 14, 2010 Photo of two men watching as a third man goes over blueprints in the data center of NREL's Research Support Facility. ...
Accuracy-based time step criteria for solving parabolic equations
Mohtar, R.; Segerlind, L.
1995-12-31
Parabolic equations govern many transient engineering problems. Space integration using finite element or finite difference methods changes the parabolic partial differential equation into an ordinary differential equation. Time integration schemes are needed to solve the later equation. In order to accurately perform the later integration a proper time step must be provided. Time step estimates based on a stability criteria have been prescribed in the literature. The following paper presents time step estimates that satisfy stability as well as accuracy criteria. These estimates were correlated to the Froude and Courant Numbers. The later criteria were found to be overly conservative for some integration schemes. Suggestions as to which time integration scheme is the best to use are also presented.
Electrolux Gibson Air Conditioner and Equator Clothes Washer...
ENERGY STAR program has revealed that an Electrolux Gibson air conditioner (model GAH105Q2T1) and an Equator clothes washer (model EZ 3720 CEE), both of which claimed ENERGY STAR...
Development of one-equation transition/turbulence models
Edwards, J.R.; Roy, C.J.; Blottner, F.G.; Hassan, H.A.
2000-01-14
This paper reports on the development of a unified one-equation model for the prediction of transitional and turbulent flows. An eddy viscosity--transport equation for nonturbulent fluctuation growth based on that proposed by Warren and Hassan is combined with the Spalart-Allmaras one-equation model for turbulent fluctuation growth. Blending of the two equations is accomplished through a multidimensional intermittency function based on the work of Dhawan and Narasimha. The model predicts both the onset and extent of transition. Low-speed test cases include transitional flow over a flat plate, a single element airfoil, and a multi-element airfoil in landing configuration. High-speed test cases include transitional Mach 3.5 flow over a 5{degree} cone and Mach 6 flow over a flared-cone configuration. Results are compared with experimental data, and the grid-dependence of selected predictions is analyzed.
Absorbing boundary conditions for relativistic quantum mechanics equations
Antoine, X.; Sater, J.; Fillion-Gourdeau, F.; Bandrauk, A.D.
2014-11-15
This paper is devoted to the derivation of absorbing boundary conditions for the Klein–Gordon and Dirac equations modeling quantum and relativistic particles subject to classical electromagnetic fields. Microlocal analysis is the main ingredient in the derivation of these boundary conditions, which are obtained in the form of pseudo-differential equations. Basic numerical schemes are derived and analyzed to illustrate the accuracy of the derived boundary conditions.
Multibump solutions for quasilinear elliptic equations with critical growth
Liu, Jiaquan; Wang, Zhi-Qiang; Wu, Xian
2013-12-15
The current paper is concerned with constructing multibump solutions for a class of quasilinear Schrdinger equations with critical growth. This extends the classical results of Coti Zelati and Rabinowitz [Commun. Pure Appl. Math. 45, 12171269 (1992)] for semilinear equations as well as recent work of Liu, Wang, and Guo [J. Funct. Anal. 262, 40404102 (2012)] for quasilinear problems with subcritical growth. The periodicity of the potentials is used to glue ground state solutions to construct multibump bound state solutions.
Multifractal analysis of time series generated by discrete Ito equations
Telesca, Luciano; Czechowski, Zbigniew; Lovallo, Michele
2015-06-15
In this study, we show that discrete Ito equations with short-tail Gaussian marginal distribution function generate multifractal time series. The multifractality is due to the nonlinear correlations, which are hidden in Markov processes and are generated by the interrelation between the drift and the multiplicative stochastic forces in the Ito equation. A link between the range of the generalized Hurst exponents and the mean of the squares of all averaged net forces is suggested.
Handbook of Industrial Engineering Equations, Formulas, and Calculations
Badiru, Adedeji B; Omitaomu, Olufemi A
2011-01-01
The first handbook to focus exclusively on industrial engineering calculations with a correlation to applications, Handbook of Industrial Engineering Equations, Formulas, and Calculations contains a general collection of the mathematical equations often used in the practice of industrial engineering. Many books cover individual areas of engineering and some cover all areas, but none covers industrial engineering specifically, nor do they highlight topics such as project management, materials, and systems engineering from an integrated viewpoint. Written by acclaimed researchers and authors, this concise reference marries theory and practice, making it a versatile and flexible resource. Succinctly formatted for functionality, the book presents: Basic Math Calculations; Engineering Math Calculations; Production Engineering Calculations; Engineering Economics Calculations; Ergonomics Calculations; Facility Layout Calculations; Production Sequencing and Scheduling Calculations; Systems Engineering Calculations; Data Engineering Calculations; Project Engineering Calculations; and Simulation and Statistical Equations. It has been said that engineers make things while industrial engineers make things better. To make something better requires an understanding of its basic characteristics and the underlying equations and calculations that facilitate that understanding. To do this, however, you do not have to be computational experts; you just have to know where to get the computational resources that are needed. This book elucidates the underlying equations that facilitate the understanding required to improve design processes, continuously improving the answer to the age-old question: What is the best way to do a job?
Optimization of High-order Wave Equations for Multicore CPUs
Energy Science and Technology Software Center (OSTI)
2011-11-01
This is a simple benchmark to guage the performance of a high-order isotropic wave equation grid. The code is optimized for both SSE and AVX and is parallelized using OpenMP (see Optimization section). Structurally, the benchmark begins, reads a few command-line parameters, allocates and pads the four arrays (current, last, next wave fields, and the spatially varying but isotropic velocity), initializes these arrays, then runs the benchmark proper. The code then benchmarks the naive, SSEmore » (if supported), and AVX (if supported implementations) by applying the wave equation stencil 100 times and taking the average performance. Boundary conditions are ignored and would noiminally be implemented by the user. THus, the benchmark measures only the performance of the wave equation stencil and not a full simulation. The naive implementation is a quadruply (z,y,x, radius) nested loop that can handle arbitrarily order wave equations. The optimized (SSE/AVX) implentations are somewhat more complex as they operate on slabs and include a case statement to select an optimized inner loop depending on wave equation order.« less
Bifurcations of traveling wave solutions for an integrable equation
Li Jibin; Qiao Zhijun
2010-04-15
This paper deals with the following equation m{sub t}=(1/2)(1/m{sup k}){sub xxx}-(1/2)(1/m{sup k}){sub x}, which is proposed by Z. J. Qiao [J. Math. Phys. 48, 082701 (2007)] and Qiao and Liu [Chaos, Solitons Fractals 41, 587 (2009)]. By adopting the phase analysis method of planar dynamical systems and the theory of the singular traveling wave systems to the traveling wave solutions of the equation, it is shown that for different k, the equation may have infinitely many solitary wave solutions, periodic wave solutions, kink/antikink wave solutions, cusped solitary wave solutions, and breaking loop solutions. We discuss in a detail the cases of k=-2,-(1/2),(1/2),2, and parametric representations of all possible bounded traveling wave solutions are given in the different (c,g)-parameter regions.
Properties of the Boltzmann equation in the classical approximation
Tanji, Naoto; Epelbaum, Thomas; Gelis, Francois; Wu, Bin
2014-12-30
We study the Boltzmann equation with elastic point-like scalar interactions in two different versions of the the classical approximation. Although solving numerically the Boltzmann equation with the unapproximated collision term poses no problem, this allows one to study the effect of the ultraviolet cutoff in these approximations. This cutoff dependence in the classical approximations of the Boltzmann equation is closely related to the non-renormalizability of the classical statistical approximation of the underlying quantum field theory. The kinetic theory setup that we consider here allows one to study in a much simpler way the dependence on the ultraviolet cutoff, since one has also access to the non-approximated result for comparison.
Properties of the Boltzmann equation in the classical approximation
Epelbaum, Thomas; Gelis, François; Tanji, Naoto; Wu, Bin
2014-12-30
We examine the Boltzmann equation with elastic point-like scalar interactions in two different versions of the the classical approximation. Although solving numerically the Boltzmann equation with the unapproximated collision term poses no problem, this allows one to study the effect of the ultraviolet cutoff in these approximations. This cutoff dependence in the classical approximations of the Boltzmann equation is closely related to the non-renormalizability of the classical statistical approximation of the underlying quantum field theory. The kinetic theory setup that we consider here allows one to study in a much simpler way the dependence on the ultraviolet cutoff, since one has also access to the non-approximated result for comparison.
Properties of the Boltzmann equation in the classical approximation
Epelbaum, Thomas; Gelis, François; Tanji, Naoto; Wu, Bin
2014-12-30
We examine the Boltzmann equation with elastic point-like scalar interactions in two different versions of the the classical approximation. Although solving numerically the Boltzmann equation with the unapproximated collision term poses no problem, this allows one to study the effect of the ultraviolet cutoff in these approximations. This cutoff dependence in the classical approximations of the Boltzmann equation is closely related to the non-renormalizability of the classical statistical approximation of the underlying quantum field theory. The kinetic theory setup that we consider here allows one to study in a much simpler way the dependence on the ultraviolet cutoff, since onemore » has also access to the non-approximated result for comparison.« less
Non-stochastic matrix Schrdinger equation for open systems
Joubert-Doriol, Loc; Ryabinkin, Ilya G.; Izmaylov, Artur F.
2014-12-21
We propose an extension of the Schrdinger equation for a quantum system interacting with environment. This extension describes dynamics of a collection of auxiliary wavefunctions organized as a matrix m, from which the system density matrix can be reconstructed as ?{sup ^}=mm{sup }. We formulate a compatibility condition, which ensures that the reconstructed density satisfies a given quantum master equation for the system density. The resulting non-stochastic evolution equation preserves positive-definiteness of the system density and is applicable to both Markovian and non-Markovian system-bath treatments. Our formalism also resolves a long-standing problem of energy loss in the time-dependent variational principle applied to mixed states of closed systems.
Multi-time Schrdinger equations cannot contain interaction potentials
Petrat, Sren; Tumulka, Roderich
2014-03-15
Multi-time wave functions are wave functions that have a time variable for every particle, such as ?(t{sub 1},x{sub 1},...,t{sub N},x{sub N}). They arise as a relativistic analog of the wave functions of quantum mechanics but can be applied also in quantum field theory. The evolution of a wave function with N time variables is governed by N Schrdinger equations, one for each time variable. These Schrdinger equations can be inconsistent with each other, i.e., they can fail to possess a joint solution for every initial condition; in fact, the N Hamiltonians need to satisfy a certain commutator condition in order to be consistent. While this condition is automatically satisfied for non-interacting particles, it is a challenge to set up consistent multi-time equations with interaction. We prove for a wide class of multi-time Schrdinger equations that the presence of interaction potentials (given by multiplication operators) leads to inconsistency. We conclude that interaction has to be implemented instead by creation and annihilation of particles, which, in fact, can be done consistently [S. Petrat and R. Tumulka, Multi-time wave functions for quantum field theory, Ann. Physics (to be published)]. We also prove the following result: When a cut-off length ? > 0 is introduced (in the sense that the multi-time wave function is defined only on a certain set of spacelike configurations, thereby breaking Lorentz invariance), then the multi-time Schrdinger equations with interaction potentials of range ? are consistent; however, in the desired limit ? ? 0 of removing the cut-off, the resulting multi-time equations are interaction-free, which supports the conclusion expressed in the title.
Equations of state and phase diagrams of hydrogen isotopes
Urlin, V. D.
2013-11-15
A new form of the semiempirical equation of state proposed for the liquid phase of hydrogen isotopes is based on the assumption that its structure is formed by cells some of which contain hydrogen molecules and others contain hydrogen atoms. The values of parameters in the equations of state of the solid (molecular and atomic) phases as well as of the liquid phase of hydrogen isotopes (protium and deuterium) are determined. Phase diagrams, shock adiabats, isentropes, isotherms, and the electrical conductivity of compressed hydrogen are calculated. Comparison of the results of calculations with available experimental data in a wide pressure range demonstrates satisfactory coincidence.
Hamiltonian time integrators for Vlasov-Maxwell equations
He, Yang; Xiao, Jianyuan; Zhang, Ruili; Liu, Jian; Qin, Hong; Sun, Yajuan
2015-12-15
Hamiltonian time integrators for the Vlasov-Maxwell equations are developed by a Hamiltonian splitting technique. The Hamiltonian functional is split into five parts, which produces five exactly solvable subsystems. Each subsystem is a Hamiltonian system equipped with the Morrison-Marsden-Weinstein Poisson bracket. Compositions of the exact solutions provide Poisson structure preserving/Hamiltonian methods of arbitrary high order for the Vlasov-Maxwell equations. They are then accurate and conservative over a long time because of the Poisson-preserving nature.
Illite Dissolution Rates and Equation (100 to 280 dec C)
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Carroll, Susan
The objective of this suite of experiments was to develop a useful kinetic dissolution expression for illite applicable over an expanded range of solution pH and temperature conditions representative of subsurface conditions in natural and/or engineered geothermal reservoirs. Using our new data, the resulting rate equation is dependent on both pH and temperature and utilizes two specific dissolution mechanisms (a neutral and a basic mechanism). The form of this rate equation should be easily incorporated into most existing reactive transport codes for to predict rock-water interactions in EGS shear zones.
Thermodynamically constrained correction to ab initio equations of state
French, Martin; Mattsson, Thomas R.
2014-07-07
We show how equations of state generated by density functional theory methods can be augmented to match experimental data without distorting the correct behavior in the high- and low-density limits. The technique is thermodynamically consistent and relies on knowledge of the density and bulk modulus at a reference state and an estimation of the critical density of the liquid phase. We apply the method to four materials representing different classes of solids: carbon, molybdenum, lithium, and lithium fluoride. It is demonstrated that the corrected equations of state for both the liquid and solid phases show a significantly reduced dependence of the exchange-correlation functional used.
Ideal solar cell equation in the presence of photon recycling
Lan, Dongchen Green, Martin A.
2014-11-07
Previous derivations of the ideal solar cell equation based on Shockley's p-n junction diode theory implicitly assume negligible effects of photon recycling. This paper derives the equation in the presence of photon recycling that modifies the values of dark saturation and light-generated currents, using an approach applicable to arbitrary three-dimensional geometries with arbitrary doping profile and variable band gap. The work also corrects an error in previous work and proves the validity of the reciprocity theorem for charge collection in such a more general case with the previously neglected junction depletion region included.
Levinson theorem for the Dirac equation in D+1 dimensions
Gu Xiaoyan; Ma Zhongqi; Dong Shihai
2003-06-01
In terms of the generalized Sturm-Liouville theorem, the Levinson theorem for the Dirac equation with a spherically symmetric potential in D+1 dimensions is uniformly established as a relation between the total number of bound states and the sum of the phase shifts of the scattering states at E={+-}M with a given angular momentum. The critical case, where the Dirac equation has a half bound state, is analyzed in detail. A half bound state is a zero-momentum solution if its wave function is finite but does not decay fast enough at infinity to be square integrable.
Equation of State measurements of hydrogen isotopes on Nova
Collins, G. W., LLNL
1997-11-01
High intensity lasers can be used to perform measurements of materials at extremely high pressures if certain experimental issues can be overcome. We have addressed those issues and used the Nova laser to shock-compress liquid deuterium and obtain measurements of density and pressure on the principal Hugoniot at pressures from 300 kbar to more than 2 Mbar. The data are compared with a number of equation of state models. The data indicate that the effect of molecular dissociation of the deuterium into a monatomic phase may have a significant impact on the equation of state near 1 Mbar.
Illite Dissolution Rates and Equation (100 to 280 dec C)
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Carroll, Susan
2014-10-17
The objective of this suite of experiments was to develop a useful kinetic dissolution expression for illite applicable over an expanded range of solution pH and temperature conditions representative of subsurface conditions in natural and/or engineered geothermal reservoirs. Using our new data, the resulting rate equation is dependent on both pH and temperature and utilizes two specific dissolution mechanisms (a neutral and a basic mechanism). The form of this rate equation should be easily incorporated into most existing reactive transport codes for to predict rock-water interactions in EGS shear zones.
Illite Dissolution Rates and Equation (100 to 280 dec C)
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Carroll, Susan
2014-10-17
The objective of this suite of experiments was to develop a useful kinetic dissolution expression for illite applicable over an expanded range of solution pH and temperature conditions representative of subsurface conditions in natural and/or engineered geothermal reservoirs. Using our new data, the resulting rate equation is dependent on both pH and temperature and utilizes two specific dissolution mechanisms (a “neutral” and a “basic” mechanism). The form of this rate equation should be easily incorporated into most existing reactive transport codes for to predict rock-water interactions in EGS shear zones.
Equation of state of liquid Indium under high pressure
Li, Huaming E-mail: mo.li@gatech.edu; Li, Mo E-mail: mo.li@gatech.edu; Sun, Yongli
2015-09-15
We apply an equation of state of a power law form to liquid Indium to study its thermodynamic properties under high temperature and high pressure. Molar volume of molten indium is calculated along the isothermal line at 710K within good precision as compared with the experimental data in an externally heated diamond anvil cell. Bulk modulus, thermal expansion and internal pressure are obtained for isothermal compression. Other thermodynamic properties are also calculated along the fitted high pressure melting line. While our results suggest that the power law form may be a better choice for the equation of state of liquids, these detailed predictions are yet to be confirmed by further experiment.
Dirac equation in low dimensions: The factorization method
Snchez-Monroy, J.A.; Quimbay, C.J.
2014-11-15
We present a general approach to solve the (1+1) and (2+1)-dimensional Dirac equations in the presence of static scalar, pseudoscalar and gauge potentials, for the case in which the potentials have the same functional form and thus the factorization method can be applied. We show that the presence of electric potentials in the Dirac equation leads to two KleinGordon equations including an energy-dependent potential. We then generalize the factorization method for the case of energy-dependent Hamiltonians. Additionally, the shape invariance is generalized for a specific class of energy-dependent Hamiltonians. We also present a condition for the absence of the Klein paradox (stability of the Dirac sea), showing how Dirac particles in low dimensions can be confined for a wide family of potentials. - Highlights: The low-dimensional Dirac equation in the presence of static potentials is solved. The factorization method is generalized for energy-dependent Hamiltonians. The shape invariance is generalized for energy-dependent Hamiltonians. The stability of the Dirac sea is related to the existence of supersymmetric partner Hamiltonians.
Non-commutative relativistic equation with a Coulomb potential
Zaim, Slimane; Khodja, Lamine; Delenda, Yazid
2012-06-27
We improve the previous study of the Klein-Gordon equation in a non-commutative space-time as applied to the Hydrogen atom to extract the energy levels, by considering the secondorder corrections in the non-commutativity parameter. Phenomenologically we show that noncommutativity plays the role of spin.
Solves Poisson's Equation in Axizymmetric Geometry on a Rectangular Mesh
Energy Science and Technology Software Center (OSTI)
1996-09-10
DATHETA4.0 computes the magnetostatic field produced by multiple point current sources in the presence of perfect conductors in axisymmetric geometry. DATHETA4.0 has an interactive user interface and solves Poisson''s equation using the ADI method on a rectangular finite-difference mesh. DATHETA4.0 uncludes models specific to applied-B ion diodes.
Mass distribution from a quark matter equation of state
Biro, T. S.; Levai, P.; Van, P.; Zimanyi, J.
2007-03-15
We analyze the equation of state in terms of quasiparticles with continuously distributed mass. We seek for a description of the entire pressure-temperature curve at vanishing chemical potential in terms of a temperature independent mass distribution. We point out properties indicating a mass gap in this distribution, conjectured to be related to confinement.
National Lab Uses OGJ Data to Develop Cost Equations
Brown, Daryl R.; Cabe, James E.; Stout, Tyson E.
2011-01-03
For the past 30 years, the Oil and Gas Journal (OGJ) has published data on the costs of onshore and offshore oil and gas pipelines and related equipment. This article describes the methodology employed and resulting equations developed for conceptual capital cost estimating of onshore pipelines. Also described are cost trends uncovered during the course of the analysis.
Gravitational lens equation for embedded lenses; magnification and ellipticity
Chen, B.; Kantowski, R.; Dai, X.
2011-10-15
We give the lens equation for light deflections caused by point mass condensations in an otherwise spatially homogeneous and flat universe. We assume the signal from a distant source is deflected by a single condensation before it reaches the observer. We call this deflector an embedded lens because the deflecting mass is part of the mean density. The embedded lens equation differs from the conventional lens equation because the deflector mass is not simply an addition to the cosmic mean. We prescribe an iteration scheme to solve this new lens equation and use it to compare our results with standard linear lensing theory. We also compute analytic expressions for the lowest order corrections to image amplifications and distortions caused by incorporating the lensing mass into the mean. We use these results to estimate the effect of embedding on strong lensing magnifications and ellipticities and find only small effects, <1%, contrary to what we have found for time delays and for weak lensing, {approx}5%.
Topological horseshoes in travelling waves of discretized nonlinear wave equations
Chen, Yi-Chiuan; Chen, Shyan-Shiou; Yuan, Juan-Ming
2014-04-15
Applying the concept of anti-integrable limit to coupled map lattices originated from space-time discretized nonlinear wave equations, we show that there exist topological horseshoes in the phase space formed by the initial states of travelling wave solutions. In particular, the coupled map lattices display spatio-temporal chaos on the horseshoes.
Development of a One-Equation Transition/Turbulence Model
EDWARDS,JACK R.; ROY,CHRISTOPHER J.; BLOTTNER,FREDERICK G.; HASSAN,HASSAN A.
2000-09-26
This paper reports on the development of a unified one-equation model for the prediction of transitional and turbulent flows. An eddy viscosity - transport equation for non-turbulent fluctuation growth based on that proposed by Warren and Hassan (Journal of Aircraft, Vol. 35, No. 5) is combined with the Spalart-Allmaras one-equation model for turbulent fluctuation growth. Blending of the two equations is accomplished through a multidimensional intermittence function based on the work of Dhawan and Narasimha (Journal of Fluid Mechanics, Vol. 3, No. 4). The model predicts both the onset and extent of transition. Low-speed test cases include transitional flow over a flat plate, a single element airfoil, and a multi-element airfoil in landing configuration. High-speed test cases include transitional Mach 3.5 flow over a 5{degree} cone and Mach 6 flow over a flared-cone configuration. Results are compared with experimental data, and the spatial accuracy of selected predictions is analyzed.
Eternal inflation and a thermodynamic treatment of Einstein's equations
Ghersi, José Tomás Gálvez; Geshnizjani, Ghazal; Shandera, Sarah; Piazza, Federico E-mail: ggeshnizjani@perimeterinstitute.ca E-mail: sshandera@perimeterinstitute.ca
2011-06-01
In pursuing the intriguing resemblance of the Einstein equations to thermodynamic equations, most sharply seen in systems possessing horizons, we suggest that eternal inflation of the stochastic type may be a fruitful phenomenon to explore. We develop a thermodynamic first law for quasi-de Sitter space, valid on the horizon of a single observer's Hubble patch and explore consistancy with previous proposals for horizons of various types in dynamic and static situations. We use this framework to demonstrate that for the local observer fluctuations of the type necessary for stochastic eternal inflation fall within the regime where the thermodynamic approach is believed to apply. This scenario is interesting because of suggestive parallels with black hole evaporation.
Numerical solution of three-dimensional magnetic differential equations
Reiman, A.H.; Greenside, H.S.
1987-02-01
A computer code is described that solves differential equations of the form B . del f = h for a single-valued solution f, given a toroidal three-dimensional divergence-free field B and a single-valued function h. The code uses a new algorithm that Fourier decomposes a given function in a set of flux coordinates in which the field lines are straight. The algorithm automatically adjusts the required integration lengths to compensate for proximity to low order rational surfaces. Applying this algorithm to the Cartesian coordinates defines a transformation to magnetic coordinates, in which the magnetic differential equation can be accurately solved. Our method is illustrated by calculating the Pfirsch-Schlueter currents for a stellarator.
Quantum Markovian master equation for scattering from surfaces
Li, Haifeng; Shao, Jiushu; Azuri, Asaf; Pollak, Eli Alicki, Robert
2014-01-07
We propose a semi-phenomenological Markovian Master equation for describing the quantum dynamics of atom-surface scattering. It embodies the Lindblad-like structure and can describe both damping and pumping of energy between the system and the bath. It preserves positivity and correctly accounts for the vanishing of the interaction of the particle with the surface when the particle is distant from the surface. As a numerical test, we apply it to a model of an Ar atom scattered from a LiF surface, allowing for interaction only in the vertical direction. At low temperatures, we find that the quantum mechanical average energy loss is smaller than the classical energy loss. The numerical results obtained from the space dependent friction master equation are compared with numerical simulations for a discretized bath, using the multi-configurational time dependent Hartree methodology. The agreement between the two simulations is quantitative.
Boltzmann equation solver adapted to emergent chemical non-equilibrium
Birrell, Jeremiah; Wilkening, Jon; Rafelski, Johann
2015-01-15
We present a novel method to solve the spatially homogeneous and isotropic relativistic Boltzmann equation. We employ a basis set of orthogonal polynomials dynamically adapted to allow for emergence of chemical non-equilibrium. Two time dependent parameters characterize the set of orthogonal polynomials, the effective temperature T(t) and phase space occupation factor ?(t). In this first paper we address (effectively) massless fermions and derive dynamical equations for T(t) and ?(t) such that the zeroth order term of the basis alone captures the particle number density and energy density of each particle distribution. We validate our method and illustrate the reduced computational cost and the ability to easily represent final state chemical non-equilibrium by studying a model problem that is motivated by the physics of the neutrino freeze-out processes in the early Universe, where the essential physical characteristics include reheating from another disappearing particle component (e{sup }-annihilation)
Vorticity Preserving Flux Corrected Transport Scheme for the Acoustic Equations
Lung, Tyler B.; Roe, Phil; Morgan, Nathaniel R.
2012-08-15
Long term research goals are to develop an improved cell-centered Lagrangian Hydro algorithm with the following qualities: 1. Utilizes Flux Corrected Transport (FCT) to achieve second order accuracy with multidimensional physics; 2. Does not rely on the one-dimensional Riemann problem; and 3. Implements a form of vorticity control. Short term research goals are to devise and implement a 2D vorticity preserving FCT solver for the acoustic equations on an Eulerian mesh: 1. Develop a flux limiting mechanism for systems of governing equations with symmetric wave speeds; 2. Verify the vorticity preserving properties of the scheme; and 3. Compare the performance of the scheme to traditional MUSCL-Hancock and other algorithms.
Felix Bloch, Nuclear Induction, Bloch Equations, Bloch Theorem, Bloch
U.S. Department of Energy (DOE) all webpages (Extended Search)
States Felix Bloch, Nuclear Induction, and Bloch Equations Resources with Additional Information Stressing "the importance both of demonstrating the neutron's magnetic moment and of determining its magnitude", Felix Bloch began his research on neutron physics at Stanford [University] in early 1936. "Using mostly X-ray and microwave equipment from the physics labs, he and Norris Bradbury ... built [a neutron] source ... . (Bloch later pointed out that this equipment was more
Disastrous Equations J. Douglas Wright Drexel University Department
U.S. Department of Energy (DOE) all webpages (Extended Search)
Disastrous Equations J. Douglas Wright Drexel University Department of Mathematics Science on Saturday 1 Earthquakes far out in the ocean gener- ate massive water waves called tsunami. When such waves hit coastlines they can cause massive damage. 2 The 2004 Indian Ocean Tsunami: 100' waves. 230,000 deaths. (photo by David Rydevik) 3 The 2011 T¯ ohoku Tsunami: 130' waves. 15,000 deaths + Nuclear accidents. (photo from National Geographic) 4 The 2011 T¯ ohoku Tsunami: 130' waves. 15,000 deaths +
Method of comparison equations for Schwarzschild black holes
Casadio, Roberto; Luzzi, Mattia
2006-10-15
We employ the method of comparison equations to study the propagation of a massless minimally coupled scalar field on the Schwarzschild background. In particular, we show that this method allows us to obtain explicit approximate expressions for the radial modes with energy below the peak of the effective potential which are fairly accurate over the whole region outside the horizon. This case can be of particular interest, for example, for the problem of black hole evaporation.
Higher order matrix differential equations with singular coefficient matrices
Fragkoulis, V. C.; Kougioumtzoglou, I. A.; Pantelous, A. A.; Pirrotta, A.
2015-03-10
In this article, the class of higher order linear matrix differential equations with constant coefficient matrices and stochastic process terms is studied. The coefficient of the highest order is considered to be singular; thus, rendering the response determination of such systems in a straightforward manner a difficult task. In this regard, the notion of the generalized inverse of a singular matrix is used for determining response statistics. Further, an application relevant to engineering dynamics problems is included.
Reconsidering harmonic and anharmonic coherent states: Partial differential equations approach
Toutounji, Mohamad
2015-02-15
This article presents a new approach to dealing with time dependent quantities such as autocorrelation function of harmonic and anharmonic systems using coherent states and partial differential equations. The approach that is normally used to evaluate dynamical quantities involves formidable operator algebra. That operator algebra becomes insurmountable when employing Morse oscillator coherent states. This problem becomes even more complicated in case of Morse oscillator as it tends to exhibit divergent dynamics. This approach employs linear partial differential equations, some of which may be solved exactly and analytically, thereby avoiding the cumbersome noncommutative algebra required to manipulate coherent states of Morse oscillator. Additionally, the arising integrals while using the herein presented method feature stability and high numerical efficiency. The correctness, applicability, and utility of the above approach are tested by reproducing the partition and optical autocorrelation function of the harmonic oscillator. A closed-form expression for the equilibrium canonical partition function of the Morse oscillator is derived using its coherent states and partial differential equations. Also, a nonequilibrium autocorrelation function expression for weak electron–phonon coupling in condensed systems is derived for displaced Morse oscillator in electronic state. Finally, the utility of the method is demonstrated through further simplifying the Morse oscillator partition function or autocorrelation function expressions reported by other researchers in unevaluated form of second-order derivative exponential. Comparison with exact dynamics shows identical results.
Time-periodic solutions of the Benjamin-Ono equation
Ambrose , D.M.; Wilkening, Jon
2008-04-01
We present a spectrally accurate numerical method for finding non-trivial time-periodic solutions of non-linear partial differential equations. The method is based on minimizing a functional (of the initial condition and the period) that is positive unless the solution is periodic, in which case it is zero. We solve an adjoint PDE to compute the gradient of this functional with respect to the initial condition. We include additional terms in the functional to specify the free parameters, which, in the case of the Benjamin-Ono equation, are the mean, a spatial phase, a temporal phase and the real part of one of the Fourier modes at t = 0. We use our method to study global paths of non-trivial time-periodic solutions connecting stationary and traveling waves of the Benjamin-Ono equation. As a starting guess for each path, we compute periodic solutions of the linearized problem by solving an infinite dimensional eigenvalue problem in closed form. We then use our numerical method to continue these solutions beyond the realm of linear theory until another traveling wave is reached (or until the solution blows up). By experimentation with data fitting, we identify the analytical form of the solutions on the path connecting the one-hump stationary solution to the two-hump traveling wave. We then derive exact formulas for these solutions by explicitly solving the system of ODE's governing the evolution of solitons using the ansatz suggested by the numerical simulations.
Friedmann's equations in all dimensions and Chebyshev's theorem
Chen, Shouxin; Gibbons, Gary W.; Li, Yijun; Yang, Yisong E-mail: gwg1@damtp.cam.ac.uk E-mail: yisongyang@nyu.edu
2014-12-01
This short but systematic work demonstrates a link between Chebyshev's theorem and the explicit integration in cosmological time t and conformal time η of the Friedmann equations in all dimensions and with an arbitrary cosmological constant Λ. More precisely, it is shown that for spatially flat universes an explicit integration in t may always be carried out, and that, in the non-flat situation and when Λ is zero and the ratio w of the pressure and energy density in the barotropic equation of state of the perfect-fluid universe is rational, an explicit integration may be carried out if and only if the dimension n of space and w obey some specific relations among an infinite family. The situation for explicit integration in η is complementary to that in t. More precisely, it is shown in the flat-universe case with Λ ≠ 0 that an explicit integration in η can be carried out if and only if w and n obey similar relations among a well-defined family which we specify, and that, when Λ = 0, an explicit integration can always be carried out whether the space is flat, closed, or open. We also show that our method may be used to study more realistic cosmological situations when the equation of state is nonlinear.
Development and Application of Compatible Discretizations of Maxwell's Equations
White, D; Koning, J; Rieben, R
2005-05-27
We present the development and application of compatible finite element discretizations of electromagnetics problems derived from the time dependent, full wave Maxwell equations. We review the H(curl)-conforming finite element method, using the concepts and notations of differential forms as a theoretical framework. We chose this approach because it can handle complex geometries, it is free of spurious modes, it is numerically stable without the need for filtering or artificial diffusion, it correctly models the discontinuity of fields across material boundaries, and it can be very high order. Higher-order H(curl) and H(div) conforming basis functions are not unique and we have designed an extensible C++ framework that supports a variety of specific instantiations of these such as standard interpolatory bases, spectral bases, hierarchical bases, and semi-orthogonal bases. Virtually any electromagnetics problem that can be cast in the language of differential forms can be solved using our framework. For time dependent problems a method-of-lines scheme is used where the Galerkin method reduces the PDE to a semi-discrete system of ODE's, which are then integrated in time using finite difference methods. For time integration of wave equations we employ the unconditionally stable implicit Newmark-Beta method, as well as the high order energy conserving explicit Maxwell Symplectic method; for diffusion equations, we employ a generalized Crank-Nicholson method. We conclude with computational examples from resonant cavity problems, time-dependent wave propagation problems, and transient eddy current problems, all obtained using the authors massively parallel computational electromagnetics code EMSolve.
Integral equation for gauge invariant quark Green's function
Sazdjian, H.
2008-08-29
We consider gauge invariant quark two-point Green's functions in which the gluonic phase factor follows a skew-polygonal line. Using a particular representation for the quark propagator in the presence of an external gluon field, functional relations between Green's functions with different numbers of segments of the polygonal lines are established. An integral equation is obtained for the Green's function having a phase factor along a single straight line. The related kernels involve Wilson loops with skew-polygonal contours and with functional derivatives along the sides of the contours.
Real-time nonlinear optimization as a generalized equation.
Zavala, V. M.; Anitescu, M. (Mathematics and Computer Science)
2010-11-11
We establish results for the problem of tracking a time-dependent manifold arising in real-time optimization by casting this as a parametric generalized equation. We demonstrate that if points along a solution manifold are consistently strongly regular, it is possible to track the manifold approximately by solving a single linear complementarity problem (LCP) at each time step. We derive sufficient conditions guaranteeing that the tracking error remains bounded to second order with the size of the time step even if the LCP is solved only approximately. We use these results to derive a fast, augmented Lagrangian tracking algorithm and demonstrate the developments through a numerical case study.
On the vector Helmholtz equation in toroidal waveguides
Biro, Thomas
2005-02-15
A wave splitting method is proposed to solve the problem of propagation of microwaves in a circular waveguide bend of circular cross section. The splitting method, applied to the vector Helmholtz equation, gives a stable solution in terms of waves propagating to the right and to the left in the bend. The formulation is particularly transparent for analyzing the scattering properties of toroidal bends. The basis for the transparency of the method is that the wave splitting is formally exact as the exponential of the square root of a differential operator. The modal functions of the straight cylindrical waveguide are chosen as basis functions in the transverse quasi-toroidal variables.
Fire Intensity Data for Validation of the Radiative Transfer Equation
Blanchat, Thomas K.; Jernigan, Dann A.
2016-01-01
A set of experiments and test data are outlined in this report that provides radiation intensity data for the validation of models for the radiative transfer equation. The experiments were performed with lightly-sooting liquid hydrocarbon fuels that yielded fully turbulent fires 2 m diameter). In addition, supplemental measurements of air flow and temperature, fuel temperature and burn rate, and flame surface emissive power, wall heat, and flame height and width provide a complete set of boundary condition data needed for validation of models used in fire simulations.
On the Nonautonomous Nonlinear Schroedinger Equations and Soliton Management
Zhao Dun; Luo Honggang; He Xugang
2010-03-08
We present some novel results on the nonlinear Schroedinger equations with time- and space-dependent dispersion, nonlinearity, dissipation/gain and external potentials which read i(partial derivu(x,t)/partial derivt)+f(x,t)(partial deriv{sup 2}u(x,t)/partial derivx{sup 2})+g(x,t)|u(x,t)|{sup 2}u(x,t)+V(x,t)u(x,t)+igamma (x,t)u(x,t) = 0. Based on these results, we show some explicit ways to control the soliton dynamics in some physically interesting nonlinear systems like Bose-Einstein condensates and optical soliton transmission.
Vortex equations governing the fractional quantum Hall effect
Medina, Luciano
2015-09-15
An existence theory is established for a coupled non-linear elliptic system, known as “vortex equations,” describing the fractional quantum Hall effect in 2-dimensional double-layered electron systems. Via variational methods, we prove the existence and uniqueness of multiple vortices over a doubly periodic domain and the full plane. In the doubly periodic situation, explicit sufficient and necessary conditions are obtained that relate the size of the domain and the vortex numbers. For the full plane case, existence is established for all finite-energy solutions and exponential decay estimates are proved. Quantization phenomena of the magnetic flux are found in both cases.
CDF Solutions of Buckley-Leverett Equation with Uncertain Parameters
Wang, Peng; Tartakovsky, Daniel M.; Jarman, Kenneth D.; Tartakovsky, Alexandre M.
2013-01-15
The Buckley-Leverett (nonlinear advection) equation is often used to describe two-phase flow in porous media. We develop a new probabilistic method to quantify parametric uncertainty in the Buckley-Leverett model. Our approach is based on the concept of fine-grained cumulative density function (CDF) and provides a full statistical description of the system states. Hence, it enables one to obtain not only average system response but also the probability of rare events, which is critical for risk assessment. We obtain a closed-form, semi-analytical solution and test it against the results from Monte Carlo simulations.
Heart simulation with surface equations for using on MCNP code
Rezaei-Ochbelagh, D.; Salman-Nezhad, S.; Asadi, A.; Rahimi, A.
2011-12-26
External photon beam radiotherapy is carried out in a way to achieve an 'as low as possible' a dose in healthy tissues surrounding the target. One of these surroundings can be heart as a vital organ of body. As it is impossible to directly determine the absorbed dose by heart, using phantoms is one way to acquire information around it. The other way is Monte Carlo method. In this work we have presented a simulation of heart geometry by introducing of different surfaces in MCNP code. We used 14 surface equations in order to determine human heart modeling. Those surfaces are borders of heart walls and contents.
Synthesis and equation of state of perovskite in the (Mg,Fe)...
Office of Scientific and Technical Information (OSTI)
Synthesis and equation of state of perovskite in the (Mg,Fe)subscript 3Alsubscript ... Citation Details In-Document Search Title: Synthesis and equation of state of perovskite ...
The Equation of State of LLM-105 (2,6-diamino-3,5-dinitropyrazine...
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The Equation of State of LLM-105 (2,6-diamino-3,5-dinitropyrazine-1-oxide) Citation Details In-Document Search Title: The Equation of State of LLM-105 (2,6-diamino-3,5-dinitropyraz...
A new high pressure and temperature equation of state of fcc...
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A new high pressure and temperature equation of state of fcc cobalt Citation Details In-Document Search Title: A new high pressure and temperature equation of state of fcc cobalt ...
A Novel Hyperbolization Procedure for The Two-Phase Six-Equation...
Office of Scientific and Technical Information (OSTI)
The Two-Phase Six-Equation Flow Model Citation Details In-Document Search Title: A Novel Hyperbolization Procedure for The Two-Phase Six-Equation Flow Model We introduce a novel ...
Phase Diagram and Equation of State of Magnesium to High Pressures...
Office of Scientific and Technical Information (OSTI)
Phase Diagram and Equation of State of Magnesium to High Pressures and High Temperatures Citation Details In-Document Search Title: Phase Diagram and Equation of State of Magnesium ...
Wong's equations and the small x effective action in QCD (Journal...
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Wong's equations and the small x effective action in QCD Citation Details In-Document Search Title: Wong's equations and the small x effective action in QCD We propose a new form ...
Possible ambiguities in the equation of state for neutron stars
Cheoun, Myung-Ki; Miyatsu, Tsuyoshi; Ryu, C. Y.; Deliduman, Cemsinan; Gngr, Can; Kele?, Vildan; Kajino, Toshitaka; Mathews, Grant J.
2014-05-02
We addressed possible ambiguities on the properties of neutron stars (NSs) estimated in theoretical sides. First, roles of hyperons inside the NS are discussed through various relativistic mean field (RMF) theories. In particular, the extension of SU(6) spin-flavor symmetry to SU(3) flavor symmetry is shown to give rise to the increase of hyperon threshold density, similarly to the Fock term effects in RMF theories. As a result, about 2.0 solar mass is obtained with the hyperons. Second, the effect by the modified f(R) gravity, which leaves a room for the dark energy in the Einstein equation to be taken into account, is discussed for the NS in a strong magnetic field (MF). Our results show that the modified gravity with the Kaluza-Klein electro-magnetism theory expanded in terms of a length scale parameter may reasonably describe the NS in strong MF, so called magnetar. Even the super-soft equation of state is shown to be revived by the modified f(R) gravity.
Vibrational properties of nanocrystals from the Debye Scattering Equation
Scardi, P.; Gelisio, L.
2016-02-26
One hundred years after the original formulation by Petrus J.W. Debije (aka Peter Debye), the Debye Scattering Equation (DSE) is still the most accurate expression to model the diffraction pattern from nanoparticle systems. A major limitation in the original form of the DSE is that it refers to a static domain, so that including thermal disorder usually requires rescaling the equation by a Debye-Waller thermal factor. The last is taken from the traditional diffraction theory developed in Reciprocal Space (RS), which is opposed to the atomistic paradigm of the DSE, usually referred to as Direct Space (DS) approach. Besides beingmore » a hybrid of DS and RS expressions, rescaling the DSE by the Debye-Waller factor is an approximation which completely misses the contribution of Temperature Diffuse Scattering (TDS). The present work proposes a solution to include thermal effects coherently with the atomistic approach of the DSE. Here, a deeper insight into the vibrational dynamics of nanostructured materials can be obtained with few changes with respect to the standard formulation of the DSE, providing information on the correlated displacement of vibrating atoms.« less
Thermodynamics of the polaron master equation at finite bias
Krause, Thilo Brandes, Tobias; Schaller, Gernot; Esposito, Massimiliano
2015-04-07
We study coherent transport through a double quantum dot. Its two electronic leads induce electronic matter and energy transport and a phonon reservoir contributes further energy exchanges. By treating the system-lead couplings perturbatively, whereas the coupling to vibrations is treated non-perturbatively in a polaron-transformed frame, we derive a thermodynamic consistent low-dimensional master equation. When the number of phonon modes is finite, a Markovian description is only possible when these couple symmetrically to both quantum dots. For a continuum of phonon modes however, also asymmetric couplings can be described with a Markovian master equation. We compute the electronic current and dephasing rate. The electronic current enables transport spectroscopy of the phonon frequency and displays signatures of Franck-Condon blockade. For infinite external bias but finite tunneling bandwidths, we find oscillations in the current as a function of the internal bias due to the electron-phonon coupling. Furthermore, we derive the full fluctuation theorem and show its identity to the entropy production in the system.
Crystal structure optimisation using an auxiliary equation of state
Jackson, Adam J.; Skelton, Jonathan M.; Hendon, Christopher H.; Butler, Keith T.; Walsh, Aron
2015-11-14
Standard procedures for local crystal-structure optimisation involve numerous energy and force calculations. It is common to calculate an energy–volume curve, fitting an equation of state around the equilibrium cell volume. This is a computationally intensive process, in particular, for low-symmetry crystal structures where each isochoric optimisation involves energy minimisation over many degrees of freedom. Such procedures can be prohibitive for non-local exchange-correlation functionals or other “beyond” density functional theory electronic structure techniques, particularly where analytical gradients are not available. We present a simple approach for efficient optimisation of crystal structures based on a known equation of state. The equilibrium volume can be predicted from one single-point calculation and refined with successive calculations if required. The approach is validated for PbS, PbTe, ZnS, and ZnTe using nine density functionals and applied to the quaternary semiconductor Cu{sub 2}ZnSnS{sub 4} and the magnetic metal-organic framework HKUST-1.
Richards Equation Solver; Rectangular Finite Volume Flux Updating Solution.
Energy Science and Technology Software Center (OSTI)
2002-01-18
Version: 00 POLYRES solves the transient, two-dimensional, Richards equation for water flow in unsaturated-saturated soils. The package is specifically designed to allow the user to easily model complex polygon-shaped regions. Flux, head, and unit gradient boundary conditions can be used. Spatial variation of the hydraulic properties can be defined across individual polygon-shaped subdomains, called objects. These objects combine to form a polygon-shaped model domain. Each object can have its own distribution of hydraulic parameters. Themore » resulting model domain and polygon-shaped internal objects are mapped onto a rectangular, finite-volume, computational grid by a preprocessor. This allows the user to specify model geometry independently of the underlying grid and greatly simplifies user input for complex geometries. In addition, this approach significantly reduces the computational requirements since complex geometries are actually modeled on a rectangular grid. This results in well-structured, finite difference-like systems of equations that require minimal storage and are very efficient to solve.« less
Nonparametric reconstruction of the dark energy equation of state
Heitmann, Katrin; Holsclaw, Tracy; Alam, Ujjaini; Habib, Salman; Higdon, David; Sanso, Bruno; Lee, Herbie
2009-01-01
The major aim of ongoing and upcoming cosmological surveys is to unravel the nature of dark energy. In the absence of a compelling theory to test, a natural approach is to first attempt to characterize the nature of dark energy in detail, the hope being that this will lead to clues about the underlying fundamental theory. A major target in this characterization is the determination of the dynamical properties of the dark energy equation of state w. The discovery of a time variation in w(z) could then lead to insights about the dynamical origin of dark energy. This approach requires a robust and bias-free method for reconstructing w(z) from data, which does not rely on restrictive expansion schemes or assumed functional forms for w(z). We present a new non parametric reconstruction method for the dark energy equation of state based on Gaussian Process models. This method reliably captures nontrivial behavior of w(z) and provides controlled error bounds. We demollstrate the power of the method on different sets of simulated supernova data. The GP model approach is very easily extended to include diverse cosmological probes.
Higher-order Schrödinger and Hartree–Fock equations
Carles, Rémi; Lucha, Wolfgang; Moulay, Emmanuel
2015-12-15
The domain of validity of the higher-order Schrödinger equations is analyzed for harmonic-oscillator and Coulomb potentials as typical examples. Then, the Cauchy theory for higher-order Hartree–Fock equations with bounded and Coulomb potentials is developed. Finally, the existence of associated ground states for the odd-order equations is proved. This renders these quantum equations relevant for physics.
Luo Yousong
2010-06-15
In this paper we derive a necessary optimality condition for a local optimal solution of some control problems. These optimal control problems are governed by a semi-linear Vettsel boundary value problem of a linear elliptic equation. The control is applied to the state equation via the boundary and a functional of the control together with the solution of the state equation under such a control will be minimized. A constraint on the solution of the state equation is also considered.
On a hierarchy of nonlinearly dispersive generalized Korteweg - de Vries evolution equations
Christov, Ivan C.
2015-08-20
We propose a hierarchy of nonlinearly dispersive generalized Kortewegde Vries (KdV) evolution equations based on a modification of the Lagrangian density whose induced action functional the KdV equation extremizes. Two recent nonlinear evolution equations describing wave propagation in certain generalized continua with an inherent material length scale are members of the proposed hierarchy. Like KdV, the equations from the proposed hierarchy possess Hamiltonian structure. Unlike KdV, the solutions to these equations can be compact (i.e., they vanish outside of some open interval) and, in addition, peaked. Implicit solutions for these peaked, compact traveling waves (peakompactons) are presented.
Equation of State for Supercooled Water at Pressures up to 400 MPa
Holten, Vincent; Sengers, Jan V.; Anisimov, Mikhail A.
2014-12-01
An equation of state is presented for the thermodynamic properties of cold and supercooled water. It is valid for temperatures from the homogeneous ice nucleation temperature up to 300 K and for pressures up to 400 MPa, and can be extrapolated up to 1000 MPa. The equation of state is compared with experimental data for the density, expansion coefficient, isothermal compressibility, speed of sound, and heat capacity. Estimates for the accuracy of the equation are given. The melting curve of ice I is calculated from the phase-equilibrium condition between the proposed equation and an existing equation of state for ice I.
On a hierarchy of nonlinearly dispersive generalized Korteweg - de Vries evolution equations
Christov, Ivan C.
2015-08-20
We propose a hierarchy of nonlinearly dispersive generalized Korteweg–de Vries (KdV) evolution equations based on a modification of the Lagrangian density whose induced action functional the KdV equation extremizes. Two recent nonlinear evolution equations describing wave propagation in certain generalized continua with an inherent material length scale are members of the proposed hierarchy. Like KdV, the equations from the proposed hierarchy possess Hamiltonian structure. Unlike KdV, the solutions to these equations can be compact (i.e., they vanish outside of some open interval) and, in addition, peaked. Implicit solutions for these peaked, compact traveling waves (“peakompactons”) are presented.
The isobaric multiplet mass equation for A?71 revisited
Lam, Yi Hua; Blank, Bertram; Smirnova, Nadezda A.; Bueb, Jean Bernard; Antony, Maria Susai
2013-11-15
Accurate mass determination of short-lived nuclides by Penning-trap spectrometers and progress in the spectroscopy of proton-rich nuclei have triggered renewed interest in the isobaric multiplet mass equation (IMME). The energy levels of the members of T=1/2,1,3/2, and 2 multiplets and the coefficients of the IMME are tabulated for A?71. The new compilation is based on the most recent mass evaluation (AME2011) and it includes the experimental results on energies of the states evaluated up to end of 2011. Taking into account the error bars, a significant deviation from the quadratic form of the IMME for the A=9,35 quartets and the A=32 quintet is observed.
Stochastic Liouville equations for femtosecond stimulated Raman spectroscopy
Agarwalla, Bijay Kumar; Ando, Hideo; Dorfman, Konstantin E.; Mukamel, Shaul
2015-01-14
Electron and vibrational dynamics of molecules are commonly studied by subjecting them to two interactions with a fast actinic pulse that prepares them in a nonstationary state and after a variable delay period T, probing them with a Raman process induced by a combination of a broadband and a narrowband pulse. This technique, known as femtosecond stimulated Raman spectroscopy (FSRS), can effectively probe time resolved vibrational resonances. We show how FSRS signals can be modeled and interpreted using the stochastic Liouville equations (SLE), originally developed for NMR lineshapes. The SLE provide a convenient simulation protocol that can describe complex dynamics caused by coupling to collective bath coordinates at much lower cost than a full dynamical simulation. The origin of the dispersive features that appear when there is no separation of timescales between vibrational variations and the dephasing time is clarified.
SESAME 7363: A new Li(6)D equation of state
Sheppard, Daniel Glen; Kress, Joel David; Crockett, Scott; Collins, Lee A.; Greeff, Carl William
2015-09-21
A new Equation of State (EOS) for Lithium 6 Deuteride (^{6}LiD) was created, sesame 7363. This EOS was released to the user community under “eos-developmental” as sesame 97363. The construction of this new EOS is a modification of a previously released EOS, sesame 7360^{1}. Sesame 7360 is too stiff (5-10% excess pressure) at high compressions and high temperatures (ρ = 4-110g/cm^{3}, T = 30-10,000 eV) compared to orbital-free density-functional theory. Sesame 7363 is softer and gives a better representation of the physics over this range without compromising the agreement with the experimental and simulation data that sesame 7360 was based on.
Line Soliton Interactions of the Kadomtsev-Petviashvili Equation
Biondini, Gino
2007-08-10
We study soliton solutions of the Kadomtsev-Petviashvili II equation (-4u{sub t}+6uu{sub x}+3u{sub xxx}){sub x}+u{sub yy}=0 in terms of the amplitudes and directions of the interacting solitons. In particular, we classify elastic N-soliton solutions, namely, solutions for which the number, directions, and amplitudes of the N asymptotic line solitons as y{yields}{infinity} coincide with those of the N asymptotic line solitons as y{yields}-{infinity}. We also show that the (2N-1){exclamation_point}{exclamation_point} types of solutions are uniquely characterized in terms of the individual soliton parameters, and we calculate the soliton position shifts arising from the interactions.
Regular perturbation solution of the Elenbaas-Heller equation
Shaw, B.D.
2006-02-01
The Elenbaas-Heller equation is nondimensionalized and solved using regular perturbation theory to provide closed-form analytical solutions to describe structures of cylindrically symmetrical steady electric arc discharges with negligible radiant heat transfer. Based on available data, it is assumed that the electrical conductivity varies with the heat-flux potential in an Arrhenius fashion. The leading-order solution is equivalent to an asymptotic solution proposed by Kuiken [J. Appl. Phys. 58, 1833 (1991)]. Higher-order terms are also derived in the present paper, and it is shown that quantitatively accurate analytical solutions can be developed when higher-order terms are included. Analysis shows that appreciable Joule heating is restricted to an inner zone when a dimensionless parameter is large relative to unity, leading to arc-channel models suggested by previous investigators.
INTERACTING QUARK MATTER EQUATION OF STATE FOR COMPACT STARS
Fraga, Eduardo S.; Kurkela, Aleksi; Vuorinen, Aleksi
2014-02-01
Lattice quantum chromodynamics (QCD) studies of the thermodynamics of hot quark-gluon plasma demonstrate the importance of accounting for the interactions of quarks and gluons if one wants to investigate the phase structure of strongly interacting matter. Motivated by this observation and using state-of-the-art results from perturbative QCD, we construct a simple, effective equation of state (EOS) for cold quark matter that consistently incorporates the effects of interactions and furthermore includes a built-in estimate of the inherent systematic uncertainties. This goes beyond the MIT bag model description in a crucial way, yet leads to an EOS that is equally straightforward to use. We also demonstrate that, at moderate densities, our EOS can be made to smoothly connect to hadronic EOSs, with the two exhibiting very similar behavior near the matching region. The resulting hybrid stars are seen to have masses similar to those predicted by the purely nucleonic EOSs.
Levinson theorem for the Dirac equation in one dimension
Ma Zhongqi; Dong Shihai; Wang Luya
2006-07-15
The Levinson theorem for the (1+1)-dimensional Dirac equation with a symmetric potential is proved with the Sturm-Liouville theorem. The half-bound states at the energies E={+-}M, whose wave function is finite but does not decay at infinity fast enough to be square integrable, are discussed. The number n{sub {+-}} of bound states is equal to the sum of the phase shifts at the energies E={+-}M:{delta}{sub {+-}}(M)+{delta}{sub {+-}}(-M)=(n{sub {+-}}+a){pi}, where the subscript {+-} denotes the parity and the constant a is equal to -1/2 when no half-bound state occurs, to 0 when one half-bound state occurs at E=M or at E=-M, and to 1/2 when two half-bound states occur at both E={+-}M.
Polynomial solutions of the Monge-Ampre equation
Aminov, Yu A
2014-11-30
The question of the existence of polynomial solutions to the Monge-Ampre equation z{sub xx}z{sub yy}?z{sub xy}{sup 2}=f(x,y) is considered in the case when f(x,y) is apolynomial. It is proved that if f is apolynomial of the second degree, which is positive for all values of its arguments and has apositive squared part, then no polynomial solution exists. On the other hand, asolution which is not polynomial but is analytic in the whole of the x,y-plane is produced. Necessary and sufficient conditions for the existence of polynomial solutions of degree up to 4 are found and methods for the construction of such solutions are indicated. An approximation theorem is proved. Bibliography: 10 titles.
The one-dimensional Gross-Pitaevskii equation and its some excitation states
Prayitno, T. B.
2015-04-16
We have derived some excitation states of the one-dimensional Gross-Pitaevskii equation coupled by the gravitational potential. The methods that we have used here are taken by pursuing the recent work of Kivshar et. al. by considering the equation as a macroscopic quantum oscillator. To obtain the states, we have made the appropriate transformation to reduce the three-dimensional Gross-Pitaevskii equation into the one-dimensional Gross-Pitaevskii equation and applying the time-independent perturbation theory in the general solution of the one-dimensional Gross-Pitaevskii equation as a linear superposition of the normalized eigenfunctions of the Schrödinger equation for the harmonic oscillator potential. Moreover, we also impose the condition by assuming that some terms in the equation should be so small in order to preserve the use of the perturbation method.
Opal equation-of-state tables for astrophysical applications
Rogers, F.J.; Swenson, F.J.; Iglesias, C.A.
1996-01-01
OPAL opacities have recently helped to resolve a number of long-standing discrepancies between theory and observation. This success has made it important to provide the associated equation-of-state (EOS) data. The OPAL EOS is based on an activity expansion of the grand canonical partition function of the plasma in terms of its fundamental constituents (electrons and nuclei). The formation of composite particles and many-body effects on the internal bound states occur naturally in this approach. Hence, pressure ionization is a consequence of the theory. In contrast, commonly used approaches, all of which are based on minimization of free energy, are forced to assert the effect of the plasma on composite particles and must rely on an ad hoc treatment of pressure ionization. Another advantage of the OPAL approach is that it provides a systematic expansion in the Coulomb coupling parameter that includes subtle quantum effects generally not considered in other EOS calculations. Tables have been generated that provide pressure, internal energy, entropy, and a variety of derivative quantities. These tables cover a fairly broad range of conditions and compositions applicable to general stellar-evolution calculations for stars more massive than {approximately}0.8 {ital M}{sub {circle_dot}}. An interpolation code is provided along with the tables to facilitate their use. {copyright} {ital 1996 The American Astronomical Society.}
Test plan for validation of the radiative transfer equation.
Ricks, Allen Joseph; Grasser, Thomas W.; Kearney, Sean Patrick; Jernigan, Dann A.; Blanchat, Thomas K.
2010-09-01
As the capabilities of numerical simulations increase, decision makers are increasingly relying upon simulations rather than experiments to assess risks across a wide variety of accident scenarios including fires. There are still, however, many aspects of fires that are either not well understood or are difficult to treat from first principles due to the computational expense. For a simulation to be truly predictive and to provide decision makers with information which can be reliably used for risk assessment the remaining physical processes must be studied and suitable models developed for the effects of the physics. A set of experiments are outlined in this report which will provide soot volume fraction/temperature data and heat flux (intensity) data for the validation of models for the radiative transfer equation. In addition, a complete set of boundary condition measurements will be taken to allow full fire predictions for validation of the entire fire model. The experiments will be performed with a lightly-sooting liquid hydrocarbon fuel fire in the fully turbulent scale range (2 m diameter).
Wavevortex interactions in the nonlinear Schrdinger equation
Guo, Yuan Bhler, Oliver
2014-02-15
This is a theoretical study of wavevortex interaction effects in the two-dimensional nonlinear Schrdinger equation, which is a useful conceptual model for the limiting dynamics of superfluid quantum condensates at zero temperature. The particular wavevortex interaction effects are associated with the scattering and refraction of small-scale linear waves by the straining flows induced by quantized point vortices and, crucially, with the concomitant nonlinear back-reaction, the remote recoil, that these scattered waves exert on the vortices. Our detailed model is a narrow, slowly varying wavetrain of small-amplitude waves refracted by one or two vortices. Weak interactions are studied using a suitable perturbation method in which the nonlinear recoil force on the vortex then arises at second order in wave amplitude, and is computed in terms of a Magnus-type force expression for both finite and infinite wavetrains. In the case of an infinite wavetrain, an explicit asymptotic formula for the scattering angle is also derived and cross-checked against numerical ray tracing. Finally, under suitable conditions a wavetrain can be so strongly refracted that it collapses all the way onto a zero-size point vortex. This is a strong wavevortex interaction by definition. The conditions for such a collapse are derived and the validity of ray tracing theory during the singular collapse is investigated.
Concerning the equation of state for partially ionized system
Baker, Jr, George A
2008-01-01
I will discuss the expansion of various thermodynamic quantities about the ideal gas in powers of the electric charge, and I will discuss some cellular models. The first type of cellular model is appropriate for hydrogen. The second type is for Z > 1. It has the independent electron approximation within the atoms. These models are cross compared and minimal regions of validity are determined. The actual region of validity is expected to be larger. In the cellular models, the phase boundaries for liquid-gas transitions are found. For the second type of cellular model, in the part of the low-temperature, low-density region where there is not much expectation of validity of these methods, a non-thermodynamic region is found. I have devised a construction, similar in spirit to the Maxwell construction, to bridge this region so as to leave a thermodynamically valid equation of state. The non-thermodynamic region does not occur in hydrogen and it seems to be due to the inadequacy of the aforementioned approximation in that region.
A Schamel equation for ion acoustic waves in superthermal plasmas
Williams, G. Kourakis, I.; Verheest, F.; Hellberg, M. A.; Anowar, M. G. M.
2014-09-15
An investigation of the propagation of ion acoustic waves in nonthermal plasmas in the presence of trapped electrons has been undertaken. This has been motivated by space and laboratory plasma observations of plasmas containing energetic particles, resulting in long-tailed distributions, in combination with trapped particles, whereby some of the plasma particles are confined to a finite region of phase space. An unmagnetized collisionless electron-ion plasma is considered, featuring a non-Maxwellian-trapped electron distribution, which is modelled by a kappa distribution function combined with a Schamel distribution. The effect of particle trapping has been considered, resulting in an expression for the electron density. Reductive perturbation theory has been used to construct a KdV-like Schamel equation, and examine its behaviour. The relevant configurational parameters in our study include the superthermality index κ and the characteristic trapping parameter β. A pulse-shaped family of solutions is proposed, also depending on the weak soliton speed increment u{sub 0}. The main modification due to an increase in particle trapping is an increase in the amplitude of solitary waves, yet leaving their spatial width practically unaffected. With enhanced superthermality, there is a decrease in both amplitude and width of solitary waves, for any given values of the trapping parameter and of the incremental soliton speed. Only positive polarity excitations were observed in our parametric investigation.
Nuclear processing - a simple cost equation or a complex problem?
Banfield, Z.; Banford, A.W.; Hanson, B.C.; Scully, P.J.
2007-07-01
BNFL has extensive experience of nuclear processing plant from concept through to decommissioning, at all stages of the fuel cycle. Nexia Solutions (formerly BNFL's R and D Division) has always supported BNFL in development of concept plant, including the development of costed plant designs for the purpose of economic evaluation and technology selection. Having undertaken such studies over a number of years, this has enabled Nexia Solutions to develop a portfolio of costed plant designs for a broad range of nuclear processes, throughputs and technologies. This work has led to an extensive understanding of the relationship of the cost of nuclear processing plant, and how this can be impacted by scale of process, and the selection of design philosophy. The relationship has been seen to be non linear and so simplistic equations do not apply, the relationship is complex due to the variety of contributory factors. This is particularly evident when considering the scale of a process, for example how step changes in design occurs with increasing scale, how the applicability of technology options can vary with scale etc... This paper will explore the contributory factor of scale to nuclear processing plant costs. (authors)
Equations of state and phase transitions in stellar matter
Raduta, Ad. R. [IFIN-HH, Bucharest POB-MG 6 (Romania); Gulminelli, F.; Aymard, F. [CNRS, UMR6534, LPC and ENSICAEN, UMR6534, LPC, F-14050 Caen cedex (France); Oertel, M. [LUTH, CNRS, Observatoire de Paris, Universite Paris Diderot, 92195 Meudon (France); Margueron, J. [IPN, IN2P3-CNRS, Universite Paris-Sud, F-91406 Orsay cedex (France)
2014-05-09
Realistic description of core-collapsing supernovae evolution and structure of proto-neutron stars chiefly depends on microphysics input in terms of equations of state, chemical composition and weak interaction rates. At sub-saturation densities the main uncertainty comes from the symmetry energy. Within a nuclear statistical equilibrium (NSE) model with consistent treatment of clusterized and unbound components we investigate the meaning of symmetry energy in the case of dis-homogeneous systems, as the one thought to constitute the neutron star crust, and its sensitivity to the isovector properties of the effective interaction. At supra-saturation densities the situation is much more difficult because of the poor knowledge of nucleon-hyperon and hyperon-hyperon interactions and thermodynamic behavior in terms of phase transitions. Within a simple (np?) model we show that compressed baryonic matter with strangeness manifests a complex phase diagram with first and second order phase transitions. The fact that both are explored under strangeness chemical equilibrium and survive Coulomb suggests that they might have sizable consequences on star evolution. An example in this sense is the drastic reduction of the neutrino-mean free path in the vicinity of the critical point obtained within RPA which would lead to a less rapid star cooling.
Solving the power flow equations: a monotone operator approach
Dvijotham, Krishnamurthy; Low, Steven; Chertkov, Michael
2015-07-21
The AC power flow equations underlie all operational aspects of power systems. They are solved routinely in operational practice using the Newton-Raphson method and its variants. These methods work well given a good initial “guess” for the solution, which is always available in normal system operations. However, with the increase in levels of intermittent generation, the assumption of a good initial guess always being available is no longer valid. In this paper, we solve this problem using the theory of monotone operators. We show that it is possible to compute (using an offline optimization) a “monotonicity domain” in the space of voltage phasors. Given this domain, there is a simple efficient algorithm that will either find a solution in the domain, or provably certify that no solutions exist in it. We validate the approach on several IEEE test cases and demonstrate that the offline optimization can be performed tractably and the computed “monotonicity domain” includes all practically relevant power flow solutions.
Murphy, M J
2010-03-08
We describe an improved reaction rate equation for simulating ignition and growth of reaction in high explosives. It has been implemented into CALE and ALE3D as an alternate to the baseline the Lee-Tarver reactive flow model. The reactive flow model treats the explosive in two phases (unreacted/reactants and reacted/products) with a reaction rate equation to determine the fraction reacted, F. The improved rate equation has fewer parameters, is continuous with continuous derivative, results in a unique set of reaction rate parameters for each explosive while providing the same functionality as the baseline rate equation. The improved rate equation uses a cosine function in the ignition term and a sine function in the growth and completion terms. The improved rate equation is simpler with fewer parameters.
An Asymptotic Study of Discretized Transport Equations in the Fokker-Planck Limit
Pautz, Shawn D.; Adams, Marvin L.
2002-01-15
Recent analyses have shown that the Fokker-Planck equation is an asymptotic limit of the transport equation given a forward-peaked scattering kernel satisfying certain constraints. Discretized transport equations in the same limit are studied, both by asymptotic analysis and by numerical testing. It is shown that spatially discretized discrete ordinates transport solutions can be accurate in this limit if and only if the scattering operator is handled in a certain nonstandard way.
An asymptotic expansion of the solution of amatrix difference equation of general form
Sgibnev, M S
2014-12-31
An asymptotic expansion of the solution of an inhomogeneous matrix difference equation of general form is obtained. The case when there is no bound on the differences of the arguments is considered. The effect of the roots of the characteristic equation is taken into account. An integral estimate with asubmultiplicative weight is established for the remainder in terms of the submultiplicative moment of the free term of the equation. Bibliography: 14 titles.
Equation of state of pyrite to 80 GPa and 2400 K (Journal Article...
Office of Scientific and Technical Information (OSTI)
Title: Equation of state of pyrite to 80 GPa and 2400 K Authors: Thompson, Elizabeth C. ; Chidester, Bethany A. ; Fischer, Rebecca A. ; Myers, Gregory I. ; Heinz, Dion L. ; ...
Validity of equation-of-motion approach to kondo problem in the...
Office of Scientific and Technical Information (OSTI)
Visit OSTI to utilize additional information resources in energy science and technology. A ... equation for the one-particle Green function is derived and numerically solved ...
Solitary waves in nonlinear Dirac equation. From field theory to Dirac materials
Saxena, Avadh
2015-11-02
This report describes the implementation of nonlinear Dirac equations in the calculation of solitary waves. Conclusions and comments on quantum elasticity are also included.
The thermal equation of state of (Mg, Fe)SiO[subscript 3] bridgmanite...
Office of Scientific and Technical Information (OSTI)
thermal equation of state of (Mg, Fe)SiOsubscript 3 bridgmanite (perovskite) and implications for lower mantle structures Citation Details In-Document Search Title: The thermal ...
Validity of equation-of-motion approach to kondo problem in the large N
Office of Scientific and Technical Information (OSTI)
limit (Journal Article) | SciTech Connect Validity of equation-of-motion approach to kondo problem in the large N limit Citation Details In-Document Search Title: Validity of equation-of-motion approach to kondo problem in the large N limit The Anderson impurity model for Kondo problem is investigated for arbitrary orbit-spin degeneracy N of the magnetic impurity by the equation of motion method (EOM). By employing a new decoupling scheme, a self-consistent equation for the one-particle
A Bme Solution Of The Stochastic Three-Dimensional Laplace Equation...
Open Energy Information (Open El) [EERE & EIA]
Solution Of The Stochastic Three-Dimensional Laplace Equation Representing A Geothermal Field Subject To Site-Specific Information Abstract This work develops a model of the...
Ayyoubzadeh, Seyed Mohsen; Vosoughi, Naser
2011-09-14
Obtaining the set of algebraic equations that directly correspond to a physical phenomenon has been viable in the recent direct discrete method (DDM). Although this method may find its roots in physical and geometrical considerations, there are still some degrees of freedom that one may suspect optimize-able. Here we have used the information embedded in the corresponding adjoint equation to form a local functional, which in turn by its minimization, yield suitable dual mesh positioning.
Symmetry operators for Dirac's equation on two-dimensional spin manifolds
Fatibene, Lorenzo; McLenaghan, Raymond G.; Smith, Shane N.; Rastelli, Giovanni
2009-05-15
It is shown that the second order symmetry operators for the Dirac equation on a general two-dimensional spin manifold may be expressed in terms of Killing vectors and valence 2 Killing tensors. The role of these operators in the theory of separation of variables for the Dirac equation is studied.
Explicit solutions of the radiative transport equation in the P{sub 3} approximation
Liemert, André Kienle, Alwin
2014-11-01
Purpose: Explicit solutions of the monoenergetic radiative transport equation in the P{sub 3} approximation have been derived which can be evaluated with nearly the same computational effort as needed for solving the standard diffusion equation (DE). In detail, the authors considered the important case of a semi-infinite medium which is illuminated by a collimated beam of light. Methods: A combination of the classic spherical harmonics method and the recently developed method of rotated reference frames is used for solving the P{sub 3} equations in closed form. Results: The derived solutions are illustrated and compared to exact solutions of the radiative transport equation obtained via the Monte Carlo (MC) method as well as with other approximated analytical solutions. It is shown that for the considered cases which are relevant for biomedical optics applications, the P{sub 3} approximation is close to the exact solution of the radiative transport equation. Conclusions: The authors derived exact analytical solutions of the P{sub 3} equations under consideration of boundary conditions for defining a semi-infinite medium. The good agreement to Monte Carlo simulations in the investigated domains, for example, in the steady-state and time domains, as well as the short evaluation time needed suggests that the derived equations can replace the often applied solutions of the diffusion equation for the homogeneous semi-infinite medium.
Two Soliton Interactions of BD.I Multicomponent NLS Equations and Their Gauge Equivalent
Gerdjikov, V. S.; Grahovski, G. G.
2010-11-25
Using the dressing Zakharov-Shabat method we re-derive the effects of the two-soliton interactions for the MNLS equations related to the BD.I-type symmetric spaces. Next we generalize this analysis for the Heisenberg ferromagnet type equations, gauge equivalent to MNLS.
A parametric approach to supersymmetric quantum mechanics in the solution of Schrdinger equation
Tezcan, Cevdet; Sever, Ramazan
2014-03-15
We study exact solutions of the Schrdinger equation for some potentials. We introduce a parametric approach to supersymmetric quantum mechanics to calculate energy eigenvalues and corresponding wave functions exactly. As an application we solve Schrdinger equation for the generalized Morse potential, modified Hulthen potential, deformed Rosen-Morse potential and Poschl-Teller potential. The method is simple and effective to get the results.
Horowitz, Jordan M.
2015-07-28
The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise approximation. In this paper, we investigate to what extent these diffusion approximations inherit the stochastic thermodynamics of the chemical master equation. We find that a stochastic-thermodynamic description is only valid at a detailed-balanced, equilibrium steady state. Away from equilibrium, where there is no consistent stochastic thermodynamics, we show that one can still use the diffusive solutions to approximate the underlying thermodynamics of the chemical master equation.
Nakatsuji, Hiroshi Nakashima, Hiroyuki
2015-02-28
The free-complement (FC) method is a general method for solving the Schrdinger equation (SE): The produced wave function has the potentially exact structure as the solution of the Schrdinger equation. The variables included are determined either by using the variational principle (FC-VP) or by imposing the local Schrdinger equations (FC-LSE) at the chosen set of the sampling points. The latter method, referred to as the local Schrdinger 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. 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 Hookes 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 worlds 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 Schrdinger equation of general atoms and molecules.
Statistically designed study of the variables and parameters of carbon dioxide equations of state
Donohue, M.D.; Naiman, D.Q.; Jin, Gang; Loehe, J.R.
1991-05-01
Carbon dioxide is used widely in enhanced oil recovery (EOR) processes to maximize the production of crude oil from aging and nearly depleted oil wells. Carbon dioxide also is encountered in many processes related to oil recovery. Accurate representations of the properties of carbon dioxide, and its mixtures with hydrocarbons, play a critical role in a number of enhanced oil recovery operations. One of the first tasks of this project was to select an equation of state to calculate the properties of carbon dioxide and its mixtures. The equations simplicity, accuracy, and reliability in representing phase behavior and thermodynamic properties of mixtures containing carbon dioxide with hydrocarbons at conditions relevant to enhanced oil recovery were taken into account. We also have determined the thermodynamic properties that are important to enhanced oil recovery and the ranges of temperature, pressure and composition that are important. We chose twelve equations of state for preliminary studies to be evaluated against these criteria. All of these equations were tested for pure carbon dioxide and eleven were tested for pure alkanes and their mixtures with carbon dioxide. Two equations, the ALS equation and the ESD equation, were selected for detailed statistical analysis. 54 refs., 41 figs., 36 tabs.
Boyarinov, V. F.; Kondrushin, A. E.; Fomichenko, P. A.
2012-07-01
Finite-difference time-dependent equations of Surface Harmonics method have been obtained for plane geometry. Verification of these equations has been carried out by calculations of tasks from 'Benchmark Problem Book ANL-7416'. The capacity and efficiency of the Surface Harmonics method have been demonstrated by solution of the time-dependent neutron transport equation in diffusion approximation. The results of studies showed that implementation of Surface Harmonics method for full-scale calculations will lead to a significant progress in the efficient solution of the time-dependent neutron transport problems in nuclear reactors. (authors)
Error propagation equations for estimating the uncertainty in high-speed wind tunnel test results
Clark, E.L.
1994-07-01
Error propagation equations, based on the Taylor series model, are derived for the nondimensional ratios and coefficients most often encountered in high-speed wind tunnel testing. These include pressure ratio and coefficient, static force and moment coefficients, dynamic stability coefficients, and calibration Mach number. The error equations contain partial derivatives, denoted as sensitivity coefficients, which define the influence of free-steam Mach number, M{infinity}, on various aerodynamic ratios. To facilitate use of the error equations, sensitivity coefficients are derived and evaluated for five fundamental aerodynamic ratios which relate free-steam test conditions to a reference condition.
Imaginary Time Step Method to Solve the Dirac Equation with Nonlocal Potential
Zhang Ying [State Key Lab Nucl. Phys. and Tech., School of Physics, Peking University, Beijing 100871 (China); Liang Haozhao [State Key Lab Nucl. Phys. and Tech., School of Physics, Peking University, Beijing 100871 (China); Institut de Physique Nucleaire, IN2P3-CNRS and Universite Paris-Sud, F-91406 Orsay France (France); Meng Jie [State Key Lab Nucl. Phys. and Tech., School of Physics, Peking University, Beijing 100871 (China); Department of Physics, University of Stellenbosch, Stellenbosch (South Africa)
2009-08-26
The imaginary time step (ITS) method is applied to solve the Dirac equation with nonlocal potentials in coordinate space. Taking the nucleus {sup 12}C as an example, even with nonlocal potentials, the direct ITS evolution for the Dirac equation still meets the disaster of the Dirac sea. However, following the recipe in our former investigation, the disaster can be avoided by the ITS evolution for the corresponding Schroedinger-like equation without localization, which gives the convergent results exactly the same with those obtained iteratively by the shooting method with localized effective potentials.
Daeva, S.G.; Setukha, A.V.
2015-03-10
A numerical method for solving a problem of diffraction of acoustic waves by system of solid and thin objects based on the reduction the problem to a boundary integral equation in which the integral is understood in the sense of finite Hadamard value is proposed. To solve this equation we applied piecewise constant approximations and collocation methods numerical scheme. The difference between the constructed scheme and earlier known is in obtaining approximate analytical expressions to appearing system of linear equations coefficients by separating the main part of the kernel integral operator. The proposed numerical scheme is tested on the solution of the model problem of diffraction of an acoustic wave by inelastic sphere.
A stochastic multi-symplectic scheme for stochastic Maxwell equations with additive noise
Hong, Jialin; Zhang, Liying
2014-07-01
In this paper we investigate a stochastic multi-symplectic method for stochastic Maxwell equations with additive noise. Based on the stochastic version of variational principle, we find a way to obtain the stochastic multi-symplectic structure of three-dimensional (3-D) stochastic Maxwell equations with additive noise. We propose a stochastic multi-symplectic scheme and show that it preserves the stochastic multi-symplectic conservation law and the local and global stochastic energy dissipative properties, which the equations themselves possess. Numerical experiments are performed to verify the numerical behaviors of the stochastic multi-symplectic scheme.
New Improved Equations For Na-K, Na-Li And Sio2 Geothermometers...
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Improved Equations For Na-K, Na-Li And Sio2 Geothermometers By Outlier Detection And Rejection Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article:...
Thermal equation of state and stability of (Mg[subscript 0.06...
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SciTech Connect Search Results Journal Article: Thermal equation of state and stability of (Mgsubscript 0.06Fesubscript 0.94)O Citation Details In-Document Search Title: ...
Fa, Kwok Sau
2015-02-15
An integro-differential diffusion equation with linear force, based on the continuous time random walk model, is considered. The equation generalizes the ordinary and fractional diffusion equations, which includes short, intermediate and long-time memory effects described by the waiting time probability density function. Analytical expression for the correlation function is obtained and analyzed, which can be used to describe, for instance, internal motions of proteins. The result shows that the generalized diffusion equation has a broad application and it may be used to describe different kinds of systems. - Highlights: • Calculation of the correlation function. • The correlation function is connected to the survival probability. • The model can be applied to the internal dynamics of proteins.
Electrolux Gibson Air Conditioner and Equator Clothes Washer Fail DOE Energy Star Testing
DOE testing in support of the ENERGY STAR program has revealed that an Electrolux Gibson air conditioner (model GAH105Q2T1) and an Equator clothes washer (model EZ 3720 CEE), both of which claimed...
Brett, Tobias Galla, Tobias
2014-03-28
We present a heuristic derivation of Gaussian approximations for stochastic chemical reaction systems with distributed delay. In particular, we derive the corresponding chemical Langevin equation. Due to the non-Markovian character of the underlying dynamics, these equations are integro-differential equations, and the noise in the Gaussian approximation is coloured. Following on from the chemical Langevin equation, a further reduction leads to the linear-noise approximation. We apply the formalism to a delay variant of the celebrated Brusselator model, and show how it can be used to characterise noise-driven quasi-cycles, as well as noise-triggered spiking. We find surprisingly intricate dependence of the typical frequency of quasi-cycles on the delay period.
Symmetries of the triple degenerate DNLS equations for weakly nonlinear dispersive MHD waves
Webb, G. M.; Brio, M.; Zank, G. P.
1996-07-20
A formulation of Hamiltonian and Lagrangian variational principles, Lie point symmetries and conservation laws for the triple degenerate DNLS equations describing the propagation of weakly nonlinear dispersive MHD waves along the ambient magnetic field, in {beta}{approx}1 plasmas is given. The equations describe the interaction of the Alfven and magnetoacoustic modes near the triple umbilic point, where the fast magnetosonic, slow magnetosonic and Alfven speeds coincide and a{sub g}{sup 2}=V{sub A}{sup 2} where a{sub g} is the gas sound speed and V{sub A} is the Alfven speed. A discussion is given of the travelling wave similarity solutions of the equations, which include solitary wave and periodic traveling waves. Strongly compressible solutions indicate the necessity for the insertion of shocks in the flow, whereas weakly compressible, near Alfvenic solutions resemble similar, shock free travelling wave solutions of the DNLS equation.
Equations of state in the Fe-FeSi system at high pressures and...
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SciTech Connect Search Results Journal Article: Equations of state in the Fe-FeSi system ... Country of Publication: United States Language: ENGLISH Word Cloud More Like This Full ...
Evolution of higher order nonlinear equation for the dust ion-acoustic waves in nonextensive plasma
Yasmin, S.; Asaduzzaman, M.; Mamun, A. A.
2012-10-15
There are three different types of nonlinear equations, namely, Korteweg-de Vries (K-dV), modified K-dV (mK-dV), and mixed modified K-dV (mixed mK-dV) equations, for the nonlinear propagation of the dust ion-acoustic (DIA) waves. The effects of electron nonextensivity on DIA solitary waves propagating in a dusty plasma (containing negatively charged stationary dust, inertial ions, and nonextensive q distributed electrons) are examined by solving these nonlinear equations. The basic features of mixed mK-dV (higher order nonlinear equation) solitons are found to exist beyond the K-dV limit. The properties of mK-dV solitons are compared with those of mixed mK-dV solitons. It is found that both positive and negative solitons are obtained depending on the q (nonextensive parameter).
Quasiparticle description of (2+1)- flavor lattice QCD equation of state
Chandra, Vinod; Ravishankar, V.
2011-10-01
A quasiparticle model has been employed to describe the (2+1)-flavor lattice QCD equation of state with physical quark masses. The interaction part of the equation of state has been mapped to the effective fugacities of otherwise noninteracting quasigluons and quasiquarks. The mapping is found to be exact for the equation of state. The model leads to nontrivial dispersion relations for quasipartons. The dispersion relations, effective quasiparticle number densities, and trace anomaly have been investigated employing the model. A virial expansion for the equation of state has further been obtained to investigate the role of interactions in quark-gluon plasma. Finally, Debye screening in quark-gluon plasma has been studied employing the model.
Equation of state and phase diagram of Fe-16Si alloy as a candidate...
Office of Scientific and Technical Information (OSTI)
SciTech Connect Search Results Journal Article: Equation of state and phase diagram of Fe-16Si alloy as a candidate component of Earths core Citation Details In-Document Search ...
A UQ Enabled Aluminum Tabular Multiphase Equation-of-State Model
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1325C A UQ Enabled Aluminum Tabular Multiphase Equation-of-State Model Allen C. Robinson, John H. Carpenter0, Bert J. Debusschere*, Ann E. Mattsson0 t Computational Multiphysics, ...
First-principles high-pressure unreacted equation of state and...
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Title: First-principles high-pressure unreacted equation of state and heat of formation of crystal 2,6-diamino-3, 5-dinitropyrazine-1-oxide (LLM-105) Authors: Manaa, M R ; Kuo, I W ...
A Novel Hyperbolization Procedure for The Two-Phase Six-Equation...
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A Novel Hyperbolization Procedure for The Two-Phase Six-Equation Flow Model Citation Details In-Document Search Title: A Novel Hyperbolization Procedure for The Two-Phase...
Thermal equation of state and stability of (Mg0.06Fe0.94)O (Journal...
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Thermal equation of state and stability of (Mg0.06Fe0.94)O This content will become publicly available on November 8, 2017 Title: Thermal equation of state and stability of ...
Exact solution to the Schrödinger’s equation with pseudo-Gaussian potential
Iacob, Felix; Lute, Marina
2015-12-15
We consider the radial Schrödinger equation with the pseudo-Gaussian potential. By making an ansatz to the solution of the eigenvalue equation for the associate Hamiltonian, we arrive at the general exact eigenfunction. The values of energy levels for the bound states are calculated along with their corresponding normalized wave-functions. The case of positive energy levels, known as meta-stable states, is also discussed and the magnitude of transmission coefficient through the potential barrier is evaluated.
Exact solutions of the Fokker-Planck equations with moving boundaries
Lo, C.F. . E-mail: cflo@phy.cuhk.edu.hk
2005-10-01
By means of time-dependent similarity transformations, we derive exact solutions of the Fokker-Planck equations with moving boundaries in the presence of: (1) a time-dependent linear force and (2) a time-dependent nonlinear force. The method of similarity transformation is simple and can be easily applied to more general Fokker-Planck equations. Furthermore, the knowledge of the exact solutions in closed form can be useful as a benchmark to test approximate numerical or analytical procedures.
Fokker-Planck equations and density of states in disordered quantum wires
Titov, M.; Brouwer, P. W.; Furusaki, A.; Mudry, C.
2001-06-15
We propose a general scheme to construct scaling equations for the density of states in disordered quantum wires for all ten pure Cartan symmetry classes. The anomalous behavior of the density of states near the Fermi level {var_epsilon}=0 for the three chiral and four Bogoliubov{endash}de Gennes universality classes is analyzed in detail by means of a mapping to a scaling equation for the reflection from a quantum wire in the presence of an imaginary potential.
Mikami, T.
2000-07-01
R. Jordan, D. Kinderlehrer, and F. Otto proposed the discrete-time approximation of the Fokker-Planck equation by the variational formulation. It is determined by the Wasserstein metric, an energy functional, and the Gibbs-Boltzmann entropy functional. In this paper we study the asymptotic behavior of the dynamical systems which describe their approximation of the Fokker-Planck equation and characterize the limit as a solution to a class of variational problems.
Investigating the Nuclear Equation of State through N/Z Equilibration
Yennello, S.; Keksis, A.; Bell, E.
2007-10-26
The equilibration of the N/Z degree of freedom during heavy-ion collisions can be a discriminating observables for helping to understand the nuclear equation of state. Equilibration can be investigated by examining the ratios of isotopes produced in these reactions. The isotope ratio method and the tracer method yield consistent results. The quasiprojectiles produced in deep inelastic collisions are predicted to be sensitive to the density dependence of the equation of state.
Equations Governing Space-Time Variability of Liquid Water Path in Stratus Clouds
U.S. Department of Energy (DOE) all webpages (Extended Search)
Equations Governing Space-Time Variability of Liquid Water Path in Stratus Clouds K. Ivanova Pennsylvania State University University Park, Pennsylvania T. P. Ackerman Pacific Northwest National Laboratory Richland, Washington M. Ausloos University of Liège B-4000 Liège, Belgium Abstract We present a method on how to derive an underlying mathematical (statistical or model free) equation for a liquid water path (LWP) signal directly from empirical data. The evolution of the probability density
Solutions of Boltzmann`s Equation for Mono-energetic Neutrons in an Infinite Homogeneous Medium
DOE R&D Accomplishments [OSTI]
Wigner, E. P.
1943-11-30
Boltzman's equation is solved for the case of monoenergetic neutrons created by a plane or point source in an infinite medium which has spherically symmetric scattering. The customary solution of the diffusion equation appears to be multiplied by a constant factor which is smaller than 1. In addition to this term the total neutron density contains another term which is important in the neighborhood of the source. It varies as 1/r{sup 2} in the neighborhood of a point source. (auth)
Hydrodynamic equations for electrons in graphene obtained from the maximum entropy principle
Barletti, Luigi
2014-08-15
The maximum entropy principle is applied to the formal derivation of isothermal, Euler-like equations for semiclassical fermions (electrons and holes) in graphene. After proving general mathematical properties of the equations so obtained, their asymptotic form corresponding to significant physical regimes is investigated. In particular, the diffusive regime, the Maxwell-Boltzmann regime (high temperature), the collimation regime and the degenerate gas limit (vanishing temperature) are considered.
ANALYSIS OF TWO-PHASE FLOW MODELS WITH TWO MOMENTUM EQUATIONS.
KROSHILIN,A.E.KROSHILIN,V.E.KOHUT,P.
2004-03-15
An analysis of the standard system of differential equations describing multi-speed flows of multi-phase media is performed. It is proved that the Cauchy problem, as posed in most best-estimate thermal-hydraulic codes, results in unstable solutions and potentially unreliable description of many physical phenomena. A system of equations, free from instability effects, is developed allowing more rigorous numerical modeling.
H–J–B Equations of Optimal Consumption-Investment and Verification Theorems
Nagai, Hideo
2015-04-15
We consider a consumption-investment problem on infinite time horizon maximizing discounted expected HARA utility for a general incomplete market model. Based on dynamic programming approach we derive the relevant H–J–B equation and study the existence and uniqueness of the solution to the nonlinear partial differential equation. By using the smooth solution we construct the optimal consumption rate and portfolio strategy and then prove the verification theorems under certain general settings.
A New 2D-Transport, 1D-Diffusion Approximation of the Boltzmann Transport equation
Larsen, Edward
2013-06-17
The work performed in this project consisted of the derivation, implementation, and testing of a new, computationally advantageous approximation to the 3D Boltz- mann transport equation. The solution of the Boltzmann equation is the neutron flux in nuclear reactor cores and shields, but solving this equation is difficult and costly. The new “2D/1D” approximation takes advantage of a special geometric feature of typical 3D reactors to approximate the neutron transport physics in a specific (ax- ial) direction, but not in the other two (radial) directions. The resulting equation is much less expensive to solve computationally, and its solutions are expected to be sufficiently accurate for many practical problems. In this project we formulated the new equation, discretized it using standard methods, developed a stable itera- tion scheme for solving the equation, implemented the new numerical scheme in the MPACT code, and tested the method on several realistic problems. All the hoped- for features of this new approximation were seen. For large, difficult problems, the resulting 2D/1D solution is highly accurate, and is calculated about 100 times faster than a 3D discrete ordinates simulation.
Gamba, Irene M.; Haack, Jeffrey R.
2014-08-01
We present the formulation of a conservative spectral method for the Boltzmann collision operator with anisotropic scattering cross-sections. The method is an extension of the conservative spectral method of Gamba and Tharkabhushanam [17,18], which uses the weak form of the collision operator to represent the collisional term as a weighted convolution in Fourier space. The method is tested by computing the collision operator with a suitably cut-off angular cross section and comparing the results with the solution of the Landau equation. We analytically study the convergence rate of the Fourier transformed Boltzmann collision operator in the grazing collisions limit to the Fourier transformed Landau collision operator under the assumption of some regularity and decay conditions of the solution to the Boltzmann equation. Our results show that the angular singularity which corresponds to the Rutherford scattering cross section is the critical singularity for which a grazing collision limit exists for the Boltzmann operator. Additionally, we numerically study the differences between homogeneous solutions of the Boltzmann equation with the Rutherford scattering cross section and an artificial cross section, which give convergence to solutions of the Landau equation at different asymptotic rates. We numerically show the rate of the approximation as well as the consequences for the rate of entropy decay for homogeneous solutions of the Boltzmann equation and Landau equation.
Cari, C. Suparmi, A.
2014-09-30
Dirac equation of 3D harmonics oscillator plus trigonometric Scarf non-central potential for spin symmetric case is solved using supersymmetric quantum mechanics approach. The Dirac equation for exact spin symmetry reduces to Schrodinger like equation. The relativistic energy and wave function for spin symmetric case are simply obtained using SUSY quantum mechanics method and idea of shape invariance.
An asymptotic preserving unified gas kinetic scheme for gray radiative transfer equations
Sun, Wenjun; Jiang, Song; Xu, Kun
2015-03-15
The solutions of radiative transport equations can cover both optical thin and optical thick regimes due to the large variation of photon's mean-free path and its interaction with the material. In the small mean free path limit, the nonlinear time-dependent radiative transfer equations can converge to an equilibrium diffusion equation due to the intensive interaction between radiation and material. In the optical thin limit, the photon free transport mechanism will emerge. In this paper, we are going to develop an accurate and robust asymptotic preserving unified gas kinetic scheme (AP-UGKS) for the gray radiative transfer equations, where the radiation transport equation is coupled with the material thermal energy equation. The current work is based on the UGKS framework for the rarefied gas dynamics [14], and is an extension of a recent work [12] from a one-dimensional linear radiation transport equation to a nonlinear two-dimensional gray radiative system. The newly developed scheme has the asymptotic preserving (AP) property in the optically thick regime in the capturing of diffusive solution without using a cell size being smaller than the photon's mean free path and time step being less than the photon collision time. Besides the diffusion limit, the scheme can capture the exact solution in the optical thin regime as well. The current scheme is a finite volume method. Due to the direct modeling for the time evolution solution of the interface radiative intensity, a smooth transition of the transport physics from optical thin to optical thick can be accurately recovered. Many numerical examples are included to validate the current approach.
Mukherjee, Abhik Janaki, M. S. Kundu, Anjan
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 corresponding 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.
Dynamics of the Zakharov-Kuznetsov-Burgers equations in dusty plasmas
Zhen, Hui-Ling; Tian, Bo; Zhong, Hui; Sun, Wen-Rong; Li, Min
2013-08-15
In this paper, we investigate the Zakharov-Kuznetsov-Burgers (ZKB) equations for the dust-ion-acoustic waves in dusty plasmas. Shock-like and soliton solutions are both constructed through the introduction of an auxiliary function and variable. ZKB-soliton propagation is plotted, and from those figures, we find that energy of the solitons increases when the number of electrons in a dust particle decreases or the mass of such dust particle becomes larger. Considering the external perturbations in the dusty plasmas, we study the perturbed ZKB equation via some qualitative and quantitative methods. To corroborate that the perturbed ZKB equation can indeed give rise to the chaos, we make use of the power spectrum and Lyapunov exponents. Then, we investigate the phase projections, and find that both the weak and developed chaos can be observed. Weak chaos occur when the absolute value of damped coefficient (l{sub 1}) is stronger than the strength of perturbed term (g{sub 1}), or else, the developed one occurs. Ranges of l{sub 1} and g{sub 1} are given via the largest Lyapunov exponents when the perturbed ZKB equation is in different chaotic states. Therefore, we can find that the chaotic motion of the perturbed ZKB equation will be enhanced with the number of electrons in a dust particle or the mass of such a dust particle decreasing.
Zhang, D.S.; Wei, G.W.; Kouri, D.J.; Hoffman, D.K.
1997-03-01
The distributed approximating functional method is applied to the solution of the Fokker{endash}Planck equations. The present approach is limited to the standard eigenfunction expansion method. Three typical examples, a Lorentz Fokker{endash}Planck equation, a bistable diffusion model and a Henon{endash}Heiles two-dimensional anharmonic resonating system, are considered in the present numerical testing. All results are in excellent agreement with those of established methods in the field. It is found that the distributed approximating functional method yields the accuracy of a spectral method but with a local method{close_quote}s simplicity and flexibility for the eigenvalue problems arising from the Fokker{endash}Planck equations. {copyright} {ital 1997 American Institute of Physics.}
Stability and error analysis of nodal expansion method for convection-diffusion equation
Deng, Z.; Rizwan-Uddin; Li, F.; Sun, Y.
2012-07-01
The development, and stability and error analyses of nodal expansion method (NEM) for one dimensional steady-state convection diffusion equation is presented. Following the traditional procedure to develop NEM, the discrete formulation of the convection-diffusion equation, which is similar to the standard finite difference scheme, is derived. The method of discrete perturbation analysis is applied to this discrete form to study the stability of the NEM. The scheme based on the NEM is found to be stable for local Peclet number less than 4.644. A maximum principle is proved for the NEM scheme, followed by an error analysis carried out by applying the Maximum principle together with a carefully constructed comparison function. The scheme for the convection diffusion equation is of second-order. Numerical experiments are carried and the results agree with the conclusions of the stability and error analyses. (authors)
Equation of state of hot polarized nuclear matter and heavy-ion fusion reactions
Ghodsi, O. N.; Gharaei, R.
2011-08-15
We employ the equation of state of hot polarized nuclear matter to simulate the repulsive force caused by the incompressibility effects of nuclear matter in the fusion reactions of heavy colliding ions. The results of our studies reveal that temperature effects of compound nuclei have significant importance in simulating the repulsive force on the fusion reactions for which the temperature of the compound nucleus increases up to about 2 MeV. Since the equation of state of hot nuclear matter depends upon the density and temperature of the nuclear matter, it has been suggested that, by using this equation of state, one can simulate simultaneously both the effects of the precompound nucleons' emission and the incompressibility of nuclear matter to calculate the nuclear potential in fusion reactions within a static formalism such as the double-folding (DF) model.
Multi-time Schrödinger equations cannot contain interaction potentials
Petrat, Sören; Tumulka, Roderich
2014-03-15
Multi-time wave functions are wave functions that have a time variable for every particle, such as ϕ(t{sub 1},x{sub 1},...,t{sub N},x{sub N}). They arise as a relativistic analog of the wave functions of quantum mechanics but can be applied also in quantum field theory. The evolution of a wave function with N time variables is governed by N Schrödinger equations, one for each time variable. These Schrödinger equations can be inconsistent with each other, i.e., they can fail to possess a joint solution for every initial condition; in fact, the N Hamiltonians need to satisfy a certain commutator condition in order to be consistent. While this condition is automatically satisfied for non-interacting particles, it is a challenge to set up consistent multi-time equations with interaction. We prove for a wide class of multi-time Schrödinger equations that the presence of interaction potentials (given by multiplication operators) leads to inconsistency. We conclude that interaction has to be implemented instead by creation and annihilation of particles, which, in fact, can be done consistently [S. Petrat and R. Tumulka, “Multi-time wave functions for quantum field theory,” Ann. Physics (to be published)]. We also prove the following result: When a cut-off length δ > 0 is introduced (in the sense that the multi-time wave function is defined only on a certain set of spacelike configurations, thereby breaking Lorentz invariance), then the multi-time Schrödinger equations with interaction potentials of range δ are consistent; however, in the desired limit δ → 0 of removing the cut-off, the resulting multi-time equations are interaction-free, which supports the conclusion expressed in the title.
Verification of the history-score moment equations for weight-window variance reduction
Solomon, Clell J; Sood, Avneet; Booth, Thomas E; Shultis, J. Kenneth
2010-12-06
The history-score moment equations that describe the moments of a Monte Carlo score distribution have been extended to weight-window variance reduction, The resulting equations have been solved deterministically to calculate the population variance of the Monte Carlo score distribution for a single tally, Results for one- and two-dimensional one-group problems are presented that predict the population variances to less than 1% deviation from the Monte Carlo for one-dimensional problems and between 1- 2% for two-dimensional problems,
Moawad, S. M.
2015-02-15
In this paper, we present a solution method for constructing exact analytic solutions to magnetohydrodynamics (MHD) equations. The method is constructed via all the trigonometric and hyperbolic functions. The method is applied to MHD equilibria with mass flow. Applications to a solar system concerned with the properties of coronal mass ejections that affect the heliosphere are presented. Some examples of the constructed solutions which describe magnetic structures of solar eruptions are investigated. Moreover, the constructed method can be applied to a variety classes of elliptic partial differential equations which arise in plasma physics.
Temperature-dependent isovector pairing gap equations using a path integral approach
Fellah, M.; Allal, N. H.; Belabbas, M.; Oudih, M. R.; Benhamouda, N.
2007-10-15
Temperature-dependent isovector neutron-proton (np) pairing gap equations have been established by means of the path integral approach. These equations generalize the BCS ones for the pairing between like particles at finite temperature. The method has been numerically tested using the one-level model. It has been shown that the gap parameter {delta}{sub np} has a behavior analogous to that of {delta}{sub nn} and {delta}{sub pp} as a function of the temperature: one notes the presence of a critical temperature. Moreover, it has been shown that the isovector pairing effects remain beyond the critical temperature that corresponds to the pairing between like particles.
Constraining the equation of state of superhadronic matter from heavy-ion collisions
Pratt, Scott; Sorensen, Paul; Sangaline, Evan; Wang, Hui
2015-05-19
The equation of state of QCD matter for temperatures near and above the quark-hadron transition (~165 MeV) is inferred within a Bayesian framework through the comparison of data from the Relativistic Heavy Ion Collider and from the Large Hadron Collider to theoretical models. State-of-the-art statistical techniques are applied to simultaneously analyze multiple classes of observables while varying 14 independent model parameters. Thus, the resulting posterior distribution over possible equations of state is consistent with results from lattice gauge theory.
Arnold, J.; Kosson, D.S.; Garrabrants, A.; Meeussen, J.C.L.; Sloot, H.A. van der
2013-02-15
A robust numerical solution of the nonlinear Poisson-Boltzmann equation for asymmetric polyelectrolyte solutions in discrete pore geometries is presented. Comparisons to the linearized approximation of the Poisson-Boltzmann equation reveal that the assumptions leading to linearization may not be appropriate for the electrochemical regime in many cementitious materials. Implications of the electric double layer on both partitioning of species and on diffusive release are discussed. The influence of the electric double layer on anion diffusion relative to cation diffusion is examined.
Soliton solutions of the 3D Gross-Pitaevskii equation by a potential control method
Fedele, R.; Eliasson, B.; Shukla, P. K.; Haas, F.; Jovanovic, D.; De Nicola, S.
2010-12-14
We present a class of three-dimensional solitary waves solutions of the Gross-Pitaevskii (GP) equation, which governs the dynamics of Bose-Einstein condensates (BECs). By imposing an external controlling potential, a desired time-dependent shape of the localized BEC excitation is obtained. The stability of some obtained localized solutions is checked by solving the time-dependent GP equation numerically with analytic solutions as initial conditions. The analytic solutions can be used to design external potentials to control the localized BECs in experiment.
On the solution of the continuity equation for precipitating electrons in solar flares
Emslie, A. Gordon; Holman, Gordon D.; Litvinenko, Yuri E. E-mail: gordon.d.holman@nasa.gov
2014-09-01
Electrons accelerated in solar flares are injected into the surrounding plasma, where they are subjected to the influence of collisional (Coulomb) energy losses. Their evolution is modeled by a partial differential equation describing continuity of electron number. In a recent paper, Dobranskis and Zharkova claim to have found an 'updated exact analytical solution' to this continuity equation. Their solution contains an additional term that drives an exponential decrease in electron density with depth, leading them to assert that the well-known solution derived by Brown, Syrovatskii and Shmeleva, and many others is invalid. We show that the solution of Dobranskis and Zharkova results from a fundamental error in the application of the method of characteristics and is hence incorrect. Further, their comparison of the 'new' analytical solution with numerical solutions of the Fokker-Planck equation fails to lend support to their result. We conclude that Dobranskis and Zharkova's solution of the universally accepted and well-established continuity equation is incorrect, and that their criticism of the correct solution is unfounded. We also demonstrate the formal equivalence of the approaches of Syrovatskii and Shmeleva and Brown, with particular reference to the evolution of the electron flux and number density (both differential in energy) in a collisional thick target. We strongly urge use of these long-established, correct solutions in future works.
Equation of state for high explosives detonation products with explicit polar and ionic species
Bastea, S; Glaesemann, K R; Fried, L E
2006-06-28
We introduce a new thermodynamic theory for detonation products that includes polar and ionic species. The new formalism extends the domain of validity of the previously developed EXP6 equation of state library and opens the possibility of new applications. We illustrate the scope of the new approach on PETN detonation properties and water ionization models.
Group-invariant solutions of semilinear Schrdinger equations in multi-dimensions
Anco, Stephen C.; Feng, Wei; Department of Mathematics, Zhejiang University of Technology, Hangzhou 310014
2013-12-15
Symmetry group methods are applied to obtain all explicit group-invariant radial solutions to a class of semilinear Schrdinger equations in dimensions n ? 1. Both focusing and defocusing cases of a power nonlinearity are considered, including the special case of the pseudo-conformal power p = 4/n relevant for critical dynamics. The methods involve, first, reduction of the Schrdinger equations to group-invariant semilinear complex 2nd order ordinary differential equations (ODEs) with respect to an optimal set of one-dimensional point symmetry groups, and second, use of inherited symmetries, hidden symmetries, and conditional symmetries to solve each ODE by quadratures. Through Noether's theorem, all conservation laws arising from these point symmetry groups are listed. Some group-invariant solutions are found to exist for values of n other than just positive integers, and in such cases an alternative two-dimensional form of the Schrdinger equations involving an extra modulation term with a parameter m = 2?n ? 0 is discussed.
Derivation of quantum mechanics from the Boltzmann equation for the Planch aether
Winterberg, F.
1995-10-01
The Planck aether hypothesis assumes that space is densely filled with an equal number of locally interacting positive and negative Planck masses obeying an exactly nonrelativistic law of motion. The Planck masses can be described by a quantum mechanical two-component nonrelativistic operator field equation having the form of a two-component nonlinear Schroedinger equation, with a spectrum of quasiparticles obeying Lorentz invariance as a dynamic symmetry for energies small compared to the Planck energy. We show that quantum mechanics itself can be derived from the Newtonian mechanics of the Planck aether as an approximate solution of Boltzmann`s equation for the locally interacting positive and negative Planck masses, and that the validity of the nonrelativistic Schroedinger equation depends on Lorentz invariance as a dynamic symmetry. We also show how the many-body Schroedinger wave function can be factorized into a product of quasiparticles of the Planck aether with separable quantum potentials. Finally, we present a possible explanation of wave function collapse as a kind of enhanced gravitational collapse in the presence of the negative Planck masses.
Neutron skin thickness and neutron star equations of state: a strong relationship
Menezes, D. P.; Avancini, S. S.; Marinelli, J. R.; Watanabe de Moraes, M. M.; Providencia, C.
2007-10-26
A density dependent hadronic model and a common parametrization of the non-linear Walecka model are used to obtain the lead neutron skin thickness through its proton and neutron density profiles. The neutron skin thickness is known to reflect the equation of state properties. A direct correlation between the neutron skin thickness and the slope of the symmetry energy is found.
FWAVE V1.0 a framework for finite difference wave equation modeling
Energy Science and Technology Software Center (OSTI)
2002-07-01
FWAVE provides a computation framework for the rapid prototyping and efficient use of finite difference wave equation solutions. The user provides single grid Fortran solver components that are integrated using opaque handles to C++ distributed data structures. Permits the scientific researcher to make of clusters and parallel computers by concentrating only on the numerical schemes.
Zhang, Zhongqiang; Yang, Xiu; Lin, Guang; Karniadakis, George Em
2013-03-01
We consider a piston with a velocity perturbed by Brownian motion moving into a straight tube filled with a perfect gas at rest. The shock generated ahead of the piston can be located by solving the one-dimensional Euler equations driven by white noise using the Stratonovich or Ito formulations. We approximate the Brownian motion with its spectral truncation and subsequently apply stochastic collocation using either sparse grid or the quasi-Monte Carlo (QMC) method. In particular, we first transform the Euler equations with an unsteady stochastic boundary into stochastic Euler equations over a fixed domain with a time-dependent stochastic source term. We then solve the transformed equations by splitting them up into two parts, i.e., a deterministic part and a stochastic part. Numerical results verify the StratonovichEuler and ItoEuler models against stochastic perturbation results, and demonstrate the efficiency of sparse grid and QMC for small and large random piston motions, respectively. The variance of shock location of the piston grows cubically in the case of white noise in contrast to colored noise reported in [1], where the variance of shock location grows quadratically with time for short times and linearly for longer times.
Kadanoff-Baym equations with non-Gaussian initial conditions: The equilibrium limit
Garny, Mathias; Mueller, Markus Michael
2009-10-15
The nonequilibrium dynamics of quantum fields is an initial-value problem, which can be described by Kadanoff-Baym equations. Typically, and, in particular, when numerical solutions are demanded, these Kadanoff-Baym equations are restricted to Gaussian initial states. However, physical initial states are non-Gaussian correlated initial states. In particular, renormalizability requires the initial state to feature n-point correlations that asymptotically agree with the vacuum correlations at short distances. In order to identify physical nonequilibrium initial states, it is therefore a precondition to describe the vacuum correlations of the interacting theory within the nonequilibrium framework. In this paper, Kadanoff-Baym equations for non-Gaussian correlated initial states describing vacuum and thermal equilibrium are derived from the 2PI effective action. A diagrammatic method for the explicit construction of vacuum and thermal initial correlations from the 2PI effective action is provided. We present numerical solutions of Kadanoff-Baym equations for a real scalar {phi}{sup 4} quantum field theory, which take the thermal initial four-point correlation as the leading non-Gaussian correction into account. We find that this minimal non-Gaussian initial condition yields an approximation to the complete equilibrium initial state that is quantitatively and qualitatively significantly improved as compared to Gaussian initial states.
A new three-equation model for the CO{sub 2} laser
Stanghini, M.; Basso, M.; Genesio, R.; Tesi, A.; Meucci, R.; Ciofini, M.
1996-07-01
Three rate equations describing the single-mode CO{sub 2} laser dynamics are derived by applying the theory of linear filters to an improved four-level model. The model is studied in the case of periodic modulations of the losses and compared with the outcome of an experiment, revealing a good agreement.
SciCADE 95: International conference on scientific computation and differential equations
1995-12-31
This report consists of abstracts from the conference. Topics include algorithms, computer codes, and numerical solutions for differential equations. Linear and nonlinear as well as boundary-value and initial-value problems are covered. Various applications of these problems are also included.
Dynamic behavior of the quantum Zakharov-Kuznetsov equations in dense quantum magnetoplasmas
Zhen, Hui-Ling; Tian, Bo Wang, Yu-Feng; Zhong, Hui; Sun, Wen-Rong
2014-01-15
Quantum Zakharov-Kuznetsov (qZK) equation is found in a dense quantum magnetoplasma. Via the spectral analysis, we investigate the Hamiltonian and periodicity of the qZK equation. Using the Hirota method, we obtain the bilinear forms and N-soliton solutions. Asymptotic analysis on the two-soliton solutions shows that the soliton interaction is elastic. Figures are plotted to reveal the propagation characteristics and interaction between the two solitons. We find that the one soliton has a single peak and its amplitude is positively related to H{sub e}, while the two solitons are parallel when H{sub e} < 2, otherwise, the one soliton has two peaks and the two solitons interact with each other. Hereby, H{sub e} is proportional to the ratio of the strength of magnetic field to the electronic Fermi temperature. External periodic force on the qZK equation yields the chaotic motions. Through some phase projections, the process from a sequence of the quasi-period doubling to chaos can be observed. The chaotic behavior is observed since the power spectra are calculated, and the quasi-period doubling states of perturbed qZK equation are given. The final chaotic state of the perturbed qZK is obtained.
Dynamics of a nonautonomous soliton in a generalized nonlinear Schroedinger equation
Yang Zhanying; Zhang Tao; Zhao Lichen; Feng Xiaoqiang; Yue Ruihong
2011-06-15
We solve a generalized nonautonomous nonlinear Schroedinger equation analytically by performing the Darboux transformation. The precise expressions of the soliton's width, peak, and the trajectory of its wave center are investigated analytically, which symbolize the dynamic behavior of a nonautonomous soliton. These expressions can be conveniently and effectively applied to the management of soliton in many fields.
Nonlinear tunneling of optical soliton in 3 coupled NLS equation with symbolic computation
Mani Rajan, M.S.; Mahalingam, A.; Uthayakumar, A.
2014-07-15
We investigated the soliton solution for N coupled nonlinear Schrödinger (CNLS) equations. These equations are coupled due to the cross-phase-modulation (CPM). Lax pair of this system is obtained via the Ablowitz–Kaup–Newell–Segur (AKNS) scheme and the corresponding Darboux transformation is constructed to derive the soliton solution. One and two soliton solutions are generated. Using two soliton solutions of 3 CNLS equation, nonlinear tunneling of soliton for both with and without exponential background has been discussed. Finally cascade compression of optical soliton through multi-nonlinear barrier has been discussed. The obtained results may have promising applications in all-optical devices based on optical solitons, study of soliton propagation in birefringence fiber systems and optical soliton with distributed dispersion and nonlinearity management. -- Highlights: •We consider the nonlinear tunneling of soliton in birefringence fiber. •3-coupled NLS (CNLS) equation with variable coefficients is considered. •Two soliton solutions are obtained via Darboux transformation using constructed Lax pair. •Soliton tunneling through dispersion barrier and well are investigated. •Finally, cascade compression of soliton has been achieved.
Soliton Theory of Two-Dimensional Lattices: The Discrete Nonlinear Schroedinger Equation
Arevalo, Edward
2009-06-05
We theoretically investigate the motion of collective excitations in the two-dimensional nonlinear Schroedinger equation with cubic nonlinearity. The form of these excitations for a broad range of parameters is derived. Their evolution and interaction is numerically studied and the modulation instability is discussed. The case of saturable nonlinearity is revisited.
Nonlinear quantum-mechanical system associated with Sine-Gordon equation in (1 + 2) dimensions
Zarmi, Yair
2014-10-15
Despite the fact that it is not integrable, the (1 + 2)-dimensional Sine-Gordon equation has N-soliton solutions, whose velocities are lower than the speed of light (c = 1), for all N ≥ 1. Based on these solutions, a quantum-mechanical system is constructed over a Fock space of particles. The coordinate of each particle is an angle around the unit circle. U, a nonlinear functional of the particle number-operators, which obeys the Sine-Gordon equation in (1 + 2) dimensions, is constructed. Its eigenvalues on N-particle states in the Fock space are the slower-than-light, N-soliton solutions of the equation. A projection operator (a nonlinear functional of U), which vanishes on the single-particle subspace, is a mass-density generator. Its eigenvalues on multi-particle states play the role of the mass density of structures that emulate free, spatially extended, relativistic particles. The simplicity of the quantum-mechanical system allows for the incorporation of perturbations with particle interactions, which have the capacity to “annihilate” and “create” solitons – an effect that does not have an analog in perturbed classical nonlinear evolution equations.
Equations of State of Elements Based on the Generalized Fermi-Thomas Theory
DOE R&D Accomplishments [OSTI]
Feynman, R. P.; Metropolis, N.; Teller, E.
1947-04-28
The Fermi-Thomas model has been used to derive the equation of state of matter at high pressures and at various temperatures. Calculations have been carried out both without and with the exchange terms. Discussion of similarity transformations lead to the virial theorem and to correlation of solutions for different Z-values.
The One and Two Loops Renormalization Group Equations in the Standard Model
Juarez W, S. Rebeca; Solis R, H. Gabriel; Kielanowski, P.
2006-01-06
In the context of the Standard Model (SM), we compare the analytical and the numerical solutions of the Renormalization Group Equations (RGE) for the relevant couplings to one and two loops. This information will be an important ingredient for the precise evaluation of boundary values on the physical Higgs Mass.
The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion
Guo, Ran; Du, Jiulin
2015-08-15
We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution.
Cross, J. E.; Gregori, G.; Reville, B.
2014-11-01
We introduce the equations of magneto-quantum-radiative hydrodynamics. By rewriting them in a dimensionless form, we obtain a set of parameters that describe scale-dependent ratios of characteristic hydrodynamic quantities. We discuss how these dimensionless parameters relate to the scaling between astrophysical observations and laboratory experiments.
The Layzer-Irvine equation in theories with non-minimal coupling between matter and curvature
Bertolami, O.; Gomes, C. E-mail: claudio.gomes@fc.up.pt
2014-09-01
We derive the Layzer-Irvine equation for alternative gravitational theories with non-minimal coupling between curvature and matter for an homogeneous and isotropic Universe. As an application, we study the case of Abell 586, a relaxed and spherically symmetric galaxy cluster, assuming some matter density profiles.
Energy Science and Technology Software Center (OSTI)
2014-06-01
ARKode is part of a software family called SUNDIALS: SUite of Nonlinear and Differential/ALgebraic equation Solvers [1]. The ARKode solver library provides an adaptive-step time integration package for stiff, nonstiff and multi-rate systems of ordinary differential equations (ODEs) using Runge Kutta methods [2].
Deterministic proton transport solving a one dimensional Fokker-Planck equation
Marr, D.; Prael, R.; Adams, K.; Alcouffe, R.
1997-10-01
The transport of protons through matter is characterized by many interactions which cause small deflections and slight energy losses. The few which are catastrophic or cause large angle scattering can be viewed as extinction for many applications. The transport of protons at this level of approximation can be described by a Fokker Planck Equation. This equation is solved using a deterministic multigroup differencing scheme with a highly resolved set of discrete ordinates centered around the beam direction which is adequate to properly account for deflections and energy losses due to multiple Coulomb scattering. Comparisons with LAHET for a large variety of problems ranging from 800 MeV protons on a copper step wedge to 10 GeV protons on a sandwich of material are presented. The good agreement with the Monte Carlo code shows that the solution method is robust and useful for approximate solutions of selected proton transport problems.
Generalized conditional symmetries and related solutions of the Grad-Shafranov equation
Cimpoiasu, Rodica
2014-04-15
The generalized conditional symmetry (GCS) method is applied to a specific case of the Grad–Shafranov (GS) equation, in cylindrical geometry assuming the existence of an axial symmetry. We investigate the conditions that yield the GS equation admitting a special class of second-order GCSs. The determining system for the unknown arbitrary functions is solved in several special cases and new exact solutions, including solitary waves, different in form and structure from the ones obtained using other nonclassical symmetry methods, are pointed out. Several plots of the level sets or flux surfaces of the new solutions as well as surfaces with vanishing flow are displayed. The obtained solutions can be useful for studying plasma equilibrium, transport phenomena, and magnetohydrodynamic stability.
Manzini, Gianmarco; Cangiani, Andrea; Sutton, Oliver
2014-10-02
This document describes the conforming formulations for virtual element approximation of the convection-reaction-diffusion equation with variable coefficients. Emphasis is given to construction of the projection operators onto polynomial spaces of appropriate order. These projections make it possible the virtual formulation to achieve any order of accuracy. We present the construction of the internal and the external formulation. The difference between the two is in the way the projection operators act on the derivatives (laplacian, gradient) of the partial differential equation. For the diffusive regime we prove the well-posedness of the external formulation and we derive an estimate of the approximation error in the H^{1}-norm. For the convection-dominated case, the streamline diffusion stabilization (aka SUPG) is also discussed.
On lower bounds for possible blow-up solutions to the periodic Navier-Stokes equation
Cortissoz, Jean C. Montero, Julio A. Pinilla, Carlos E.
2014-03-15
We show a new lower bound on the H{sup .3/2} (T{sup 3}) norm of a possible blow-up solution to the Navier-Stokes equation, and also comment on the extension of this result to the whole space. This estimate can be seen as a natural limiting result for Leray's blow-up estimates in L{sup p}(R{sup 3}), 3 < p < ?. We also show a lower bound on the blow-up rate of a possible blow-up solution of the Navier-Stokes equation in H{sup .5/2} (T{sup 3}), and give the corresponding extension to the case of the whole space.
Talamo, Alberto
2013-05-01
This study presents three numerical algorithms to solve the time dependent neutron transport equation by the method of the characteristics. The algorithms have been developed taking into account delayed neutrons and they have been implemented into the novel MCART code, which solves the neutron transport equation for two-dimensional geometry and an arbitrary number of energy groups. The MCART code uses regular mesh for the representation of the spatial domain, it models up-scattering, and takes advantage of OPENMP and OPENGL algorithms for parallel computing and plotting, respectively. The code has been benchmarked with the multiplication factor results of a Boiling Water Reactor, with the analytical results for a prompt jump transient in an infinite medium, and with PARTISN and TDTORT results for cross section and source transients. The numerical simulations have shown that only two numerical algorithms are stable for small time steps.
Vortices at the magnetic equator generated by hybrid Alfvn resonant waves
Hiraki, Yasutaka
2015-01-15
We performed three-dimensional magnetohydrodynamic simulations of shear Alfvn waves in a full field line system with magnetosphere-ionosphere coupling and plasma non-uniformities. Feedback instability of the Alfvn resonant modes showed various nonlinear features under the field line cavities: (i) a secondary flow shear instability occurs at the magnetic equator, (ii) trapping of the ionospheric Alfvn resonant modes facilitates deformation of field-aligned current structures, and (iii) hybrid Alfvn resonant modes grow to cause vortices and magnetic oscillations around the magnetic equator. Essential features in the initial brightening of auroral arc at substorm onsets could be explained by the dynamics of Alfvn resonant modes, which are the nature of the field line system responding to a background rapid change.
Jin, Jinshuang; Li, Jun; Liu, Yu; Li, Xin-Qi; Yan, YiJing
2014-06-28
Beyond the second-order Born approximation, we propose an improved master equation approach to quantum transport under self-consistent Born approximation. The basic idea is to replace the free Green's function in the tunneling self-energy diagram by an effective reduced propagator under the Born approximation. This simple modification has remarkable consequences. It not only recovers the exact results for quantum transport through noninteracting systems under arbitrary voltages, but also predicts the challenging nonequilibrium Kondo effect. Compared to the nonequilibrium Green's function technique that formulates the calculation of specific correlation functions, the master equation approach contains richer dynamical information to allow more efficient studies for such as the shot noise and full counting statistics.
Low-dimensional weakly interacting Bose gases: Nonuniversal equations of state
Astrakharchik, G. E.; Boronat, J.; Mazzanti, F.; Kurbakov, I. L.; Lozovik, Yu. E.
2010-01-15
The zero-temperature equation of state is analyzed in low-dimensional bosonic systems. We propose to use the concept of energy-dependent s-wave scattering length for obtaining estimations of nonuniversal terms in the energy expansion. We test this approach by making a comparison to exactly solvable one-dimensional problems and find that the generated terms have the correct structure. The applicability to two-dimensional systems is analyzed by comparing with results of Monte Carlo simulations. The prediction for the nonuniversal behavior is qualitatively correct and the densities, at which the deviations from the universal equation of state become visible, are estimated properly. Finally, the possibility of observing the nonuniversal terms in experiments with trapped gases is also discussed.
Waltz, J.; Canfield, T.R.; Morgan, N.R.; Risinger, L.D.; Wohlbier, J.G.
2014-06-15
We present a set of manufactured solutions for the three-dimensional (3D) Euler equations. The purpose of these solutions is to allow for code verification against true 3D flows with physical relevance, as opposed to 3D simulations of lower-dimensional problems or manufactured solutions that lack physical relevance. Of particular interest are solutions with relevance to Inertial Confinement Fusion (ICF) capsules. While ICF capsules are designed for spherical symmetry, they are hypothesized to become highly 3D at late time due to phenomena such as Rayleigh–Taylor instability, drive asymmetry, and vortex decay. ICF capsules also involve highly nonlinear coupling between the fluid dynamics and other physics, such as radiation transport and thermonuclear fusion. The manufactured solutions we present are specifically designed to test the terms and couplings in the Euler equations that are relevant to these phenomena. Example numerical results generated with a 3D Finite Element hydrodynamics code are presented, including mesh convergence studies.
Equations of state and transport properties of mixtures in the warm dense regime
Hou, Yong; Dai, Jiayu; Kang, Dongdong; Ma, Wen; Yuan, Jianmin
2015-02-15
We have performed average-atom molecular dynamics to simulate the CH and LiH mixtures in the warm dense regime, and obtained equations of state and the ionic transport properties. The electronic structures are calculated by using the modified average-atom model, which have included the broadening of energy levels, and the ion-ion pair potentials of mixtures are constructed based on the temperature-dependent density functional theory. The ionic transport properties, such as ionic diffusion and shear viscosity, are obtained through the ionic velocity correlation functions. The equations of state and transport properties for carbon, hydrogen and lithium, hydrogen mixtures in a wide region of density and temperature are calculated. Through our computing the average ionization degree, average ion-sphere diameter and transition properties in the mixture, it is shown that transport properties depend not only on the ionic mass but also on the average ionization degree.
Grating formation by a high power radio wave in near-equator ionosphere
Singh, Rohtash; Sharma, A. K.; Tripathi, V. K.
2011-11-15
The formation of a volume grating in the near-equator regions of ionosphere due to a high power radio wave is investigated. The radio wave, launched from a ground based transmitter, forms a standing wave pattern below the critical layer, heating the electrons in a space periodic manner. The thermal conduction along the magnetic lines of force inhibits the rise in electron temperature, limiting the efficacy of heating to within a latitude of few degrees around the equator. The space periodic electron partial pressure leads to ambipolar diffusion creating a space periodic density ripple with wave vector along the vertical. Such a volume grating is effective to cause strong reflection of radio waves at a frequency one order of magnitude higher than the maximum plasma frequency in the ionosphere. Linearly mode converted plasma wave could scatter even higher frequency radio waves.
The Equations of Motion of Compact Binaries in the Neighborhood of Supermassive Black Hole
Gorbatsievich, Alexander; Bobrik, Alexey
2010-03-24
By the use of Einstein-Infeld-Hoffmann method, the equations of motion of a binary star system in the field of a supermassive black hole are derived. In spite of the fact that the motion of a binary system as a whole can be relativistic or even ultra-relativistic with respect to the supermassive black hole, it is shown, that under the assumption of non-relativistic relative motion of the stars in binary system, the motion of the binary system as a whole satisfies the Mathisson-Papapetrou equations with additional terms depending on quadrupole moments. Exemplary case of ultrarelativistic motion of a binary neutron star in the vicinity of non-rotating black hole is considered. It it shown that the motion of binary's center of mass may considerably differ from geodesic motion.
Fast multiscale Gaussian beam methods for wave equations in bounded convex domains
Bao, Gang; Department of Mathematics, Michigan State University, East Lansing, MI 48824 ; Lai, Jun; Qian, Jianliang
2014-03-15
Motivated by fast multiscale Gaussian wavepacket transforms and multiscale Gaussian beam methods which were originally designed for pure initial-value problems of wave equations, we develop fast multiscale Gaussian beam methods for initial boundary value problems of wave equations in bounded convex domains in the high frequency regime. To compute the wave propagation in bounded convex domains, we have to take into account reflecting multiscale Gaussian beams, which are accomplished by enforcing reflecting boundary conditions during beam propagation and carrying out suitable reflecting beam summation. To propagate multiscale beams efficiently, we prove that the ratio of the squared magnitude of beam amplitude and the beam width is roughly conserved, and accordingly we propose an effective indicator to identify significant beams. We also prove that the resulting multiscale Gaussian beam methods converge asymptotically. Numerical examples demonstrate the accuracy and efficiency of the method.
Dynamical mass generation in unquenched QED using the Dyson-Schwinger equations
Kızılersü, Ayse; Sizer, Tom; Pennington, Michael R.; Williams, Anthony G.; Williams, Richard
2015-03-13
We present a comprehensive numerical study of dynamical mass generation for unquenched QED in four dimensions, in the absence of four-fermion interactions, using the Dyson-Schwinger approach. We begin with an overview of previous investigations of criticality in the quenched approximation. To this we add an analysis using a new fermion-antifermion-boson interaction ansatz, the Kizilersu-Pennington (KP) vertex, developed for an unquenched treatment. After surveying criticality in previous unquenched studies, we investigate the performance of the KP vertex in dynamical mass generation using a renormalized fully unquenched system of equations. This we compare with the results for two hybrid vertices incorporating themore » Curtis-Pennington vertex in the fermion equation. We conclude that the KP vertex is as yet incomplete, and its relative gauge-variance is due to its lack of massive transverse components in its design.« less
A fast, high-order solver for the GradShafranov equation
Pataki, Andras; Cerfon, Antoine J.; Freidberg, Jeffrey P.; Greengard, Leslie; ONeil, Michael
2013-06-15
We present a new fast solver to calculate fixed-boundary plasma equilibria in toroidally axisymmetric geometries. By combining conformal mapping with Fourier and integral equation methods on the unit disk, we show that high-order accuracy can be achieved for the solution of the equilibrium equation and its first and second derivatives. Smooth arbitrary plasma cross-sections as well as arbitrary pressure and poloidal current profiles are used as initial data for the solver. Equilibria with large Shafranov shifts can be computed without difficulty. Spectral convergence is demonstrated by comparing the numerical solution with a known exact analytic solution. A fusion-relevant example of an equilibrium with a pressure pedestal is also presented.
Dynamical mass generation in unquenched QED using the Dyson-Schwinger equations
Kızılersü, Ayse; Sizer, Tom; Pennington, Michael R.; Williams, Anthony G.; Williams, Richard
2015-03-13
We present a comprehensive numerical study of dynamical mass generation for unquenched QED in four dimensions, in the absence of four-fermion interactions, using the Dyson-Schwinger approach. We begin with an overview of previous investigations of criticality in the quenched approximation. To this we add an analysis using a new fermion-antifermion-boson interaction ansatz, the Kizilersu-Pennington (KP) vertex, developed for an unquenched treatment. After surveying criticality in previous unquenched studies, we investigate the performance of the KP vertex in dynamical mass generation using a renormalized fully unquenched system of equations. This we compare with the results for two hybrid vertices incorporating the Curtis-Pennington vertex in the fermion equation. We conclude that the KP vertex is as yet incomplete, and its relative gauge-variance is due to its lack of massive transverse components in its design.
Observational constraints on dark energy with a fast varying equation of state
Felice, Antonio De; Nesseris, Savvas
2012-05-01
We place observational constraints on models with the late-time cosmic acceleration based on a number of parametrizations allowing fast transitions for the equation of state of dark energy. In addition to the model of Linder and Huterer where the dark energy equation of state w monotonically grows or decreases in time, we propose two new parametrizations in which w has an extremum. We carry out the likelihood analysis with the three parametrizations by using the observational data of supernovae type Ia, cosmic microwave background, and baryon acoustic oscillations. Although the transient cosmic acceleration models with fast transitions can give rise to the total chi square smaller than that in the ?-Cold-Dark-Matter (?CDM) model, these models are not favored over ?CDM when one uses the Akaike information criterion which penalizes the extra degrees of freedom present in the parametrizations.
The quantum equations of state of plasma under the influence of a weak magnetic field
Hussein, N. A.; Eisa, D. A.; Eldin, M. G.
2012-05-15
The aim of this paper is to calculate the magnetic quantum equations of state of plasma, the calculation is based on the magnetic binary Slater sum in the case of low density. We consider only the thermal equilibrium plasma in the case of n{lambda}{sub ab}{sup 3} Much-Less-Than 1, where {lambda}{sub ab}{sup 2}=( Planck-Constant-Over-Two-Pi {sup 2}/m{sub ab}KT) is the thermal De Broglie wave length between two particles. The formulas contain the contributions of the magnetic field effects. Using these results we compute the magnetization and the magnetic susceptibility. Our equation of state is compared with others.
An energy absorbing far-field boundary condition for the elastic wave equation
Petersson, N A; Sjogreen, B
2008-07-15
The authors present an energy absorbing non-reflecting boundary condition of Clayton-Engquist type for the elastic wave equation together with a discretization which is stable for any ratio of compressional to shear wave speed. They prove stability for a second order accurate finite-difference discretization of the elastic wave equation in three space dimensions together with a discretization of the proposed non-reflecting boundary condition. The stability proof is based on a discrete energy estimate and is valid for heterogeneous materials. The proof includes all six boundaries of the computational domain where special discretizations are needed at the edges and corners. The stability proof holds also when a free surface boundary condition is imposed on some sides of the computational domain.
Real-time and imaginary-time quantum hierarchal Fokker-Planck equations
Tanimura, Yoshitaka
2015-04-14
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.
Argonne OutLoud: Changing the bio-energy equation (April 12, 2012) |
U.S. Department of Energy (DOE) all webpages (Extended Search)
Argonne National Laboratory Changing the bio-energy equation (April 12, 2012) Share Description Argonne OutLoud public lecture series. Episode 1: Argonomist Cristina Negri talks about phytoremediation for polluted soil and water. Speakers Cristina Negri Duration 00:55:11 Topic Community Education Outreach Environment Environmental science & technology Land reclamation Water quality Video ID http://youtu.be/vlMUJOs4vh0 Credit Argonne National Laboratory Cristina Negri
SCIENCE ON SATURDAY- "Disastrous Equations: The Role of Mathematics in
U.S. Department of Energy (DOE) all webpages (Extended Search)
Understanding Tsunami" | Princeton Plasma Physics Lab 26, 2013, 9:30am Science On Saturday MBG Auditorium SCIENCE ON SATURDAY- "Disastrous Equations: The Role of Mathematics in Understanding Tsunami" Professor J. Douglas Wright, Associate Professor Department of Mathematics, Drexel University Presentation: PDF icon SOS26JAN2013_JDWright.pdf Science on Saturday is a series of lectures given by scientists, mathematicians, and other professionals involved in cutting-edge
Viscosity Solutions of HJB Equations with Unbounded Data and Characteristic Points
Motta, Monica
2003-12-15
We study a class of infinite horizon and exit-time control problems for nonlinear systems with unbounded data using the dynamic programming approach. We prove local optimality principles for viscosity super- and subsolutions of degenerate Hamilton-Jacobi equations in a very general setting. We apply these results to characterize the (possibly multiple) discontinuous solutions of Dirichlet and free boundary value problems as suitable value functions for the above-mentioned control problems.
Critical study of type II supernovae: equations of state and general relativity
Kahana, S.
1986-01-01
The relevance of relativistic gravitation and of the properties of nuclear matter at high density to supernova explosions is examined in detail. The existing empirical knowledge on the nuclear equation of state at densities greater than saturation, extracted from analysis of heavy ion collisions and from the breathing mode in heavy nuclei, is also considered. Particulars of the prompt explosions recently obtained theoretically by Baron, Cooperstein, and Kahana are presented. 40 refs., 9 figs., 3 tabs.
Crosta, M.; Fratalocchi, A.; Trillo, S.
2011-12-15
We characterize the full family of soliton solutions sitting over a background plane wave and ruled by the cubic-quintic nonlinear Schroedinger equation in the regime where a quintic focusing term represents a saturation of the cubic defocusing nonlinearity. We discuss the existence and properties of solitons in terms of catastrophe theory and fully characterize bistability and instabilities of the dark-antidark pairs, revealing mechanisms of decay of antidark solitons into dispersive shock waves.
Nodal soliton solutions for generalized quasilinear Schrödinger equations
Deng, Yinbin Peng, Shuangjie; Wang, Jixiu
2014-05-15
This paper is concerned with constructing nodal radial solutions for generalized quasilinear Schrödinger equations in R{sup N} which arise from plasma physics, fluid mechanics, as well as high-power ultashort laser in matter. For any given integer k ⩾ 0, by using a change of variables and minimization argument, we obtain a sign-changing minimizer with k nodes of a minimization problem.
Nonlinear periodic waves solutions of the nonlinear self-dual network equations
Laptev, Denis V. Bogdan, Mikhail M.
2014-04-15
The new classes of periodic solutions of nonlinear self-dual network equations describing the breather and soliton lattices, expressed in terms of the Jacobi elliptic functions have been obtained. The dependences of the frequencies on energy have been found. Numerical simulations of soliton lattice demonstrate their stability in the ideal lattice and the breather lattice instability in the dissipative lattice. However, the lifetime of such structures in the dissipative lattice can be extended through the application of ac driving terms.
Samsonov, B.F.
1995-09-01
It is proven that the well-known nonlocal (i.e., based on integral transformations) methods of generating accurately solvable potentials of the one-dimensional steady Schroedinger equation are equivalent to multiple use of the local (i.e., based on a differential transformation) method known as the Darboux transformation. New accurately solvable potentials with a hydrogen-like spectrum are obtained, and several functions of the lowest states of the discrete spectrum are presented.
Non-perturbative effects for the Quark-Gluon Plasma equation of state
Begun, V. V. Gorenstein, M. I. Mogilevsky, O. A.
2012-07-15
The non-perturbative effects for the Quark-Gluon Plasma (QGP) equation of state (EoS) are considered. The modifications of the bag model EoS are constructed to satisfy the main qualitative features observed for the QGP EoS in the lattice QCD calculations. A quantitative comparison with the lattice results is done for the SU(3) gluon plasma and for the QGP with dynamical quarks. Our analysis advocates a negative value of the bag constant B.
Jiang, Yan-Fei; Stone, James M.; Davis, Shane W.
2014-07-01
We describe a new algorithm for solving the coupled frequency-integrated transfer equation and the equations of magnetohydrodynamics in the regime that light-crossing time is only marginally shorter than dynamical timescales. The transfer equation is solved in the mixed frame, including velocity-dependent source terms accurate to O(v/c). An operator split approach is used to compute the specific intensity along discrete rays, with upwind monotonic interpolation used along each ray to update the transport terms, and implicit methods used to compute the scattering and absorption source terms. Conservative differencing is used for the transport terms, which ensures the specific intensity (as well as energy and momentum) are conserved along each ray to round-off error. The use of implicit methods for the source terms ensures the method is stable even if the source terms are very stiff. To couple the solution of the transfer equation to the MHD algorithms in the ATHENA code, we perform direct quadrature of the specific intensity over angles to compute the energy and momentum source terms. We present the results of a variety of tests of the method, such as calculating the structure of a non-LTE atmosphere, an advective diffusion test, linear wave convergence tests, and the well-known shadow test. We use new semi-analytic solutions for radiation modified shocks to demonstrate the ability of our algorithm to capture the effects of an anisotropic radiation field accurately. Since the method uses explicit differencing of the spatial operators, it shows excellent weak scaling on parallel computers.
Dvirny, A. I.; Slyn'ko, V. I. E-mail: vitstab@ukr.net
2014-06-01
Inverse theorems to Lyapunov's direct method are established for quasihomogeneous systems of differential equations with impulsive action. Conditions for the existence of Lyapunov functions satisfying typical bounds for quasihomogeneous functions are obtained. Using these results, we establish conditions for an equilibrium of a nonlinear system with impulsive action to be stable, using the properties of a quasihomogeneous approximation to the system. The results are illustrated by an example of a large-scale system with homogeneous subsystems. Bibliography: 30 titles. (paper)
Non-homogeneous solutions of a Coulomb Schrdinger equation as basis set for scattering problems
Del Punta, J. A.; Ambrosio, M. J.; Gasaneo, G.; Zaytsev, S. A.; Ancarani, L. U.
2014-05-15
We introduce and study two-body Quasi Sturmian functions which are proposed as basis functions for applications in three-body scattering problems. They are solutions of a two-body non-homogeneous Schrdinger equation. We present different analytic expressions, including asymptotic behaviors, for the pure Coulomb potential with a driven term involving either Slater-type or Laguerre-type orbitals. The efficiency of Quasi Sturmian functions as basis set is numerically illustrated through a two-body scattering problem.
Quantum theory as a description of robust experiments: Derivation of the Pauli equation
De Raedt, Hans; Katsnelson, Mikhail I.; Donker, Hylke C.; Michielsen, Kristel
2015-08-15
It is shown that the Pauli equation and the concept of spin naturally emerge from logical inference applied to experiments on a charged particle under the conditions that (i) space is homogeneous (ii) the observed events are logically independent, and (iii) the observed frequency distributions are robust with respect to small changes in the conditions under which the experiment is carried out. The derivation does not take recourse to concepts of quantum theory and is based on the same principles which have already been shown to lead to e.g. the Schrödinger equation and the probability distributions of pairs of particles in the singlet or triplet state. Application to Stern–Gerlach experiments with chargeless, magnetic particles, provides additional support for the thesis that quantum theory follows from logical inference applied to a well-defined class of experiments. - Highlights: • The Pauli equation is obtained through logical inference applied to robust experiments on a charged particle. • The concept of spin appears as an inference resulting from the treatment of two-valued data. • The same reasoning yields the quantum theoretical description of neutral magnetic particles. • Logical inference provides a framework to establish a bridge between objective knowledge gathered through experiments and their description in terms of concepts.
Shao, Yan-Lin Faltinsen, Odd M.
2014-10-01
We propose a new efficient and accurate numerical method based on harmonic polynomials to solve boundary value problems governed by 3D Laplace equation. The computational domain is discretized by overlapping cells. Within each cell, the velocity potential is represented by the linear superposition of a complete set of harmonic polynomials, which are the elementary solutions of Laplace equation. By its definition, the method is named as Harmonic Polynomial Cell (HPC) method. The characteristics of the accuracy and efficiency of the HPC method are demonstrated by studying analytical cases. Comparisons will be made with some other existing boundary element based methods, e.g. Quadratic Boundary Element Method (QBEM) and the Fast Multipole Accelerated QBEM (FMA-QBEM) and a fourth order Finite Difference Method (FDM). To demonstrate the applications of the method, it is applied to some studies relevant for marine hydrodynamics. Sloshing in 3D rectangular tanks, a fully-nonlinear numerical wave tank, fully-nonlinear wave focusing on a semi-circular shoal, and the nonlinear wave diffraction of a bottom-mounted cylinder in regular waves are studied. The comparisons with the experimental results and other numerical results are all in satisfactory agreement, indicating that the present HPC method is a promising method in solving potential-flow problems. The underlying procedure of the HPC method could also be useful in other fields than marine hydrodynamics involved with solving Laplace equation.
Soliton solutions and chaotic motions of the Zakharov equations for the Langmuir wave in the plasma
Zhen, Hui-Ling; Tian, Bo Wang, Yu-Feng; Liu, De-Yin
2015-03-15
For the interaction between the high-frequency Langmuir waves and low-frequency ion-acoustic waves in the plasma, the Zakharov equations are studied in this paper. Via the Hirota method, we obtain the soliton solutions, based on which the soliton propagation is presented. It is found that with λ increasing, the amplitude of u decreases, whereas that of v remains unchanged, where λ is the ion-acoustic speed, u is the slowly-varying envelope of the Langmuir wave, and v is the fluctuation of the equilibrium ion density. Both the head-on and bound-state interactions between the two solitons are displayed. We observe that with λ decreasing, the interaction period of u decreases, while that of v keeps unchanged. It is found that the Zakharov equations cannot admit any chaotic motions. With the external perturbations taken into consideration, the perturbed Zakharov equations are studied for us to see the associated chaotic motions. Both the weak and developed chaotic motions are investigated, and the difference between them roots in the relative magnitude of the nonlinearities and perturbations. The chaotic motions are weakened with λ increasing, or else, strengthened. Periodic motion appears when the nonlinear terms and external perturbations are balanced. With such a balance kept, one period increases with λ increasing.
Discontinuous Galerkin solution of the Navier-Stokes equations on deformable domains
Persson, P.-O.; Bonet, J.; Peraire, J.
2009-01-13
We describe a method for computing time-dependent solutions to the compressible Navier-Stokes equations on variable geometries. We introduce a continuous mapping between a fixed reference configuration and the time varying domain, By writing the Navier-Stokes equations as a conservation law for the independent variables in the reference configuration, the complexity introduced by variable geometry is reduced to solving a transformed conservation law in a fixed reference configuration, The spatial discretization is carried out using the Discontinuous Galerkin method on unstructured meshes of triangles, while the time integration is performed using an explicit Runge-Kutta method, For general domain changes, the standard scheme fails to preserve exactly the free-stream solution which leads to some accuracy degradation, especially for low order approximations. This situation is remedied by adding an additional equation for the time evolution of the transformation Jacobian to the original conservation law and correcting for the accumulated metric integration errors. A number of results are shown to illustrate the flexibility of the approach to handle high order approximations on complex geometries.
Unified Einstein-Virasoro Master Equation in the General Non-Linear Sigma Model
Boer, J. de; Halpern, M.B.
1996-06-05
The Virasoro master equation (VME) describes the general affine-Virasoro construction $T=L^abJ_aJ_b+iD^a \\dif J_a$ in the operator algebra of the WZW model, where $L^ab$ is the inverse inertia tensor and $D^a $ is the improvement vector. In this paper, we generalize this construction to find the general (one-loop) Virasoro construction in the operator algebra of the general non-linear sigma model. The result is a unified Einstein-Virasoro master equation which couples the spacetime spin-two field $L^ab$ to the background fields of the sigma model. For a particular solution $L_G^ab$, the unified system reduces to the canonical stress tensors and conventional Einstein equations of the sigma model, and the system reduces to the general affine-Virasoro construction and the VME when the sigma model is taken to be the WZW action. More generally, the unified system describes a space of conformal field theories which is presumably much larger than the sum of the general affine-Virasoro construction and the sigma model with its canonical stress tensors. We also discuss a number of algebraic and geometrical properties of the system, including its relation to an unsolved problem in the theory of $G$-structures on manifolds with torsion.
The tunneling solutions of the time-dependent Schroedinger equation for a square-potential barrier
Elci, A.; Hjalmarson, H. P.
2009-10-15
The exact tunneling solutions of the time-dependent Schroedinger equation with a square-potential barrier are derived using the continuous symmetry group G{sub S} for the partial differential equation. The infinitesimal generators and the elements for G{sub S} are represented and derived in the jet space. There exist six classes of wave functions. The representative (canonical) wave functions for the classes are labeled by the eigenvalue sets, whose elements arise partially from the reducibility of a Lie subgroup G{sub LS} of G{sub S} and partially from the separation of variables. Each eigenvalue set provides two or more time scales for the wave function. The ratio of two time scales can act as the duration of an intrinsic clock for the particle motion. The exact solutions of the time-dependent Schroedinger equation presented here can produce tunneling currents that are orders of magnitude larger than those produced by the energy eigenfunctions. The exact solutions show that tunneling current can be quantized under appropriate boundary conditions and tunneling probability can be affected by a transverse acceleration.
THE GENERAL RELATIVISTIC EQUATIONS OF RADIATION HYDRODYNAMICS IN THE VISCOUS LIMIT
Coughlin, Eric R.; Begelman, Mitchell C. E-mail: mitch@jila.colorado.edu
2014-12-20
We present an analysis of the general relativistic Boltzmann equation for radiation, appropriate to the case where particles and photons interact through Thomson scattering, and derive the radiation energy-momentum tensor in the diffusion limit with viscous terms included. Contrary to relativistic generalizations of the viscous stress tensor that appear in the literature, we find that the stress tensor should contain a correction to the comoving energy density proportional to the divergence of the four-velocity, as well as a finite bulk viscosity. These modifications are consistent with the framework of radiation hydrodynamics in the limit of large optical depth, and do not depend on thermodynamic arguments such as the assignment of a temperature to the zeroth-order photon distribution. We perform a perturbation analysis on our equations and demonstrate that as long as the wave numbers do not probe scales smaller than the mean free path of the radiation, the viscosity contributes only decaying, i.e., stable, corrections to the dispersion relations. The astrophysical applications of our equations, including jets launched from super-Eddington tidal disruption events and those from collapsars, are discussed and will be considered further in future papers.
A Vorticity-Divergence Global Semi-Lagrangian Spectral Model for the Shallow Water Equations
Drake, JB
2001-11-30
The shallow water equations modeling flow on a sphere are useful for the development and testing of numerical algorithms for atmospheric climate and weather models. A new formulation of the shallow water equations is derived which exhibits an advective form for the vorticity and divergence. This form is particularly well suited for numerical computations using a semi-Lagrangian spectral discretization. A set of test problems, standard for the shallow water equations on a sphere, are solved and results compared with an Eulerian spectral model. The semi-Lagrangian transport method was introduced into atmospheric modeling by Robert, Henderson, and Turnbull. A formulation based on a three time level integration scheme in conjunction with a finite difference spatial discretization was studied by Ritchie. Two time level grid point schemes were derived by Bates et al. Staniforth and Cote survey developments of the application of semi-Lagrangian transport (SLT) methods for shallow water models and for numerical weather prediction. The spectral (or spherical harmonic transform) method when combined with a SLT method is particularly effective because it allows for long time steps avoiding the Courant-Friedrichs-Lewy (CFL) restriction of Eulerian methods, while retaining accurate (spectral) treatment of the spatial derivatives. A semi-implicit, semi-Lagrangian formulation with spectral spatial discretization is very effective because the Helmholz problem arising from the semi-implicit time integration can be solved cheaply in the course of the spherical harmonic transform. The combination of spectral, semi-Lagrangian transport with a semi-implicit time integration schemes was first proposed by Ritchie. A advective formulation using vorticity and divergence was introduced by Williamson and Olson. They introduce the vorticity and divergence after the application of the semi-Lagrangian discretization. The semi-Lagrangian formulation of Williamson and Olson and Bates et al. has
Wang, Y.
2013-07-01
Nonlinear diffusion acceleration (NDA) can improve the performance of a neutron transport solver significantly especially for the multigroup eigenvalue problems. The high-order transport equation and the transport-corrected low-order diffusion equation form a nonlinear system in NDA, which can be solved via a Picard iteration. The consistency of the correction of the low-order equation is important to ensure the stabilization and effectiveness of the iteration. It also makes the low-order equation preserve the scalar flux of the high-order equation. In this paper, the consistent correction for a particular discretization scheme, self-adjoint angular flux (SAAF) formulation with discrete ordinates method (S{sub N}) and continuous finite element method (CFEM) is proposed for the multigroup neutron transport equation. Equations with the anisotropic scatterings and a void treatment are included. The Picard iteration with this scheme has been implemented and tested with RattleS{sub N}ake, a MOOSE-based application at INL. Convergence results are presented. (authors)
Karsch,F.; Kharzeev, D.; Molnar, K.; Petreczky, P.; Teaney, D.
2008-04-21
The interpretation of relativistic heavy-ion collisions at RHIC energies with thermal concepts is largely based on the relative success of ideal (nondissipative) hydrodynamics. This approach can describe basic observables at RHIC, such as particle spectra and momentum anisotropies, fairly well. On the other hand, recent theoretical efforts indicate that dissipation can play a significant role. Ideally viscous hydrodynamic simulations would extract, if not only the equation of state, but also transport coefficients from RHIC data. There has been a lot of progress with solving relativistic viscous hydrodynamics. There are already large uncertainties in ideal hydrodynamics calculations, e.g., uncertainties associated with initial conditions, freezeout, and the simplified equations of state typically utilized. One of the most sensitive observables to the equation of state is the baryon momentum anisotropy, which is also affected by freezeout assumptions. Up-to-date results from lattice quantum chromodynamics on the transition temperature and equation of state with realistic quark masses are currently available. However, these have not yet been incorporated into the hydrodynamic calculations. Therefore, the RBRC workshop 'Hydrodynamics in Heavy Ion Collisions and QCD Equation of State' aimed at getting a better understanding of the theoretical frameworks for dissipation and near-equilibrium dynamics in heavy-ion collisions. The topics discussed during the workshop included techniques to solve the dynamical equations and examine the role of initial conditions and decoupling, as well as the role of the equation of state and transport coefficients in current simulations.
Ammar H Hakim
2011-10-20
In this Phase I project we have extended the BOUT++ code to solve edge fluid equations. We added a simple neutral fluid model, created a mesh generator as well as collected a set of difficult test problems for benchmarking edge codes. The work in this project should be useful as a starting point to build a complete set of edge fluid equations in BOUT++ that would enhance its ability to not only perform edge turbulence calculations, but also allow the coupled transport-turbulence equations evolved in an efficient manner.
White, J.; Phillips, J.R.; Korsmeyer, T.
1994-12-31
Mixed first- and second-kind surface integral equations with (1/r) and {partial_derivative}/{partial_derivative} (1/r) kernels are generated by a variety of three-dimensional engineering problems. For such problems, Nystroem type algorithms can not be used directly, but an expansion for the unknown, rather than for the entire integrand, can be assumed and the product of the singular kernal and the unknown integrated analytically. Combining such an approach with a Galerkin or collocation scheme for computing the expansion coefficients is a general approach, but generates dense matrix problems. Recently developed fast algorithms for solving these dense matrix problems have been based on multipole-accelerated iterative methods, in which the fast multipole algorithm is used to rapidly compute the matrix-vector products in a Krylov-subspace based iterative method. Another approach to rapidly computing the dense matrix-vector products associated with discretized integral equations follows more along the lines of a multigrid algorithm, and involves projecting the surface unknowns onto a regular grid, then computing using the grid, and finally interpolating the results from the regular grid back to the surfaces. Here, the authors describe a precorrectted-FFT approach which can replace the fast multipole algorithm for accelerating the dense matrix-vector product associated with discretized potential integral equations. The precorrected-FFT method, described below, is an order n log(n) algorithm, and is asymptotically slower than the order n fast multipole algorithm. However, initial experimental results indicate the method may have a significant constant factor advantage for a variety of engineering problems.
Kordilla, Jannes; Pan, Wenxiao; Tartakovsky, Alexandre M.
2014-12-14
We propose a novel Smoothed Particle Hydrodynamics (SPH) discretization of the fully-coupled Landau-Lifshitz-Navier-Stokes (LLNS) and advection-diffusion equations. The accuracy of the SPH solution of the LLNS equations is demonstrated by comparing the scaling of velocity variance and self-diffusion coefficient with kinetic temperature and particle mass obtained from the SPH simulations and analytical solutions. The spatial covariance of pressure and velocity fluctuations are found to be in a good agreement with theoretical models. To validate the accuracy of the SPH method for the coupled LLNS and advection-diffusion equations, we simulate the interface between two miscible fluids. We study the formation of the so-called giant fluctuations of the front between light and heavy fluids with and without gravity, where the light fluid lays on the top of the heavy fluid. We find that the power spectra of the simulated concentration field is in good agreement with the experiments and analytical solutions. In the absence of gravity the the power spectra decays as the power -4 of the wave number except for small wave numbers which diverge from this power law behavior due to the effect of finite domain size. Gravity suppresses the fluctuations resulting in the much weaker dependence of the power spectra on the wave number. Finally the model is used to study the effect of thermal fluctuation on the Rayleigh-Taylor instability, an unstable dynamics of the front between a heavy fluid overlying a light fluid. The front dynamics is shown to agree well with the analytical solutions.
New Optical Diagnostics for Equation of State Experiments on the Janus Laser
U.S. Department of Energy (DOE) all webpages (Extended Search)
NEW OPTICAL DIAGNOSTICS FOR EQUATION OF STATE EXPERIMENTS ON THE JANUS LASER D. K. Spaulding 1 , D. G. Hicks 2 , R. F. Smith 2 , J. H. Eggert 2 , R. S. McWilliams 1,2 , G. W. Collins 2 , and R. Jeanloz 1 1 Department of Earth and Planetary Science , University of California, Berkeley, CA 94720-4767 2 Lawrence Livermore National Laboratory, Livermore, CA 94550 Abstract. We describe the configuration of two new optical diagnostics for laser-driven dynamic- compression experiments to multi-Mbar
Validation of a zero-equation turbulence model for complex indoor airflow simulation
Srebric, J.; Chen, Q.; Glicksman, L.R.
1999-07-01
The design of an indoor environment requires a tool that can quickly predict the three-dimensional distributions of air velocity, temperature, and contaminant concentrations in the room on a desktop computer. This investigation has tested a zero-equation turbulence model for the prediction of the indoor environment in an office with displacement ventilation, with a heater and infiltration and with forced convection and a partition wall. The computed air velocity and temperature distributions agree well with the measured data. The computing time for each case is less than seven minutes on a PC Pentium II, 350 MHz.
Momentum space iterative solution of the time-dependent Schrödinger equation
Kiss, G. Zs.; Borbély, S.; Nagy, L.
2013-11-13
We present a novel approach, the iterative solution of the time-dependent Schrödinger equation (iTDSE model), for the investigation of atomic systems interacting with external laser fields. This model is the extension of the momentum-space strong-field approximation (MSSFA) [1], in which the Coulomb potential was considered only as a first order perturbation. In the iTDSE approach higher order terms were gradually introduced until convergence was achieved. Benchmark calculations were done on the hydrogen atom, and the obtained results were compared to the direct numerical solution [2].
Approximate local magnetic-to-electric surface operators for time-harmonic Maxwell's equations
El Bouajaji, M.
2014-12-15
The aim of this paper is to propose new local and accurate approximate magnetic-to-electric surface boundary operators for the three-dimensional time-harmonic Maxwell's equations. After their construction where their accuracy is improved through a regularization process, a localization of these operators and a full finite element approximation is introduced. Next, their numerical efficiency and accuracy is investigated in detail for different scatterers when these operators are used in the extreme situation of On-Surface Radiation Conditions methods.
Current noise spectra and mechanisms with dissipaton equation of motion theory
Jin, Jinshuang; Wang, Shikuan; Zheng, Xiao; Yan, YiJing
2015-06-21
Based on the Yan’s dissipaton equation of motion (DEOM) theory [J. Chem. Phys. 140, 054105 (2014)], we investigate the characteristic features of current noise spectrum in several typical transport regimes of a single-impurity Anderson model. Many well-known features such as Kondo features are correctly recovered by our DEOM calculations. More importantly, it is revealed that the intrinsic electron cotunneling process is responsible for the characteristic signature of current noise at anti-Stokes frequency. We also identify completely destructive interference in the noise spectra of noninteracting systems with two degenerate transport channels.
Optimal recovery of the solution of the heat equation from inaccurate data
Magaril-Il'yaev, G G; Osipenko, Konstantin Yu
2009-06-30
The problem of optimal recovery of the solution of the heat equation in the entire space at a fixed instant of time from inaccurate observations of this solution at some other instants of time is investigated. Explicit expressions for an optimal recovery method and its error are given. The solution of a similar problem with a priori information about the temperature distribution at some instants of time is also given. In all cases the optimal method uses information about at most two observations. Bibliography: 22 titles.
Stabilization of the solution of adoubly nonlinear parabolic equation
Andriyanova, R; Mukminov, F Kh
2013-09-30
The method of Galerkin approximations is employed to prove the existence of astrong global (in time) solution of adoubly nonlinear parabolic equation in an unbounded domain. The second integral identity is established for Galerkin approximations, and passing to the limit in it an estimate for the decay rate of the norm of the solution from below is obtained. The estimates characterizing the decay rate of the solution as x?? obtained here are used to derive an upper bound for the decay rate of the solution with respect to time; the resulting estimate is pretty close to the lower one. Bibliography: 17 titles.
Exact solutions of the Wheeler–DeWitt equation and the Yamabe construction
Ita III, Eyo Eyo; Soo, Chopin
2015-08-15
Exact solutions of the Wheeler–DeWitt equation of the full theory of four dimensional gravity of Lorentzian signature are obtained. They are characterized by Schrödinger wavefunctionals having support on 3-metrics of constant spatial scalar curvature, and thus contain two full physical field degrees of freedom in accordance with the Yamabe construction. These solutions are moreover Gaussians of minimum uncertainty and they are naturally associated with a rigged Hilbert space. In addition, in the limit the regulator is removed, exact 3-dimensional diffeomorphism and local gauge invariance of the solutions are recovered.
(U) A Gruneisen Equation of State for TPX. Application in FLAG
Fredenburg, David A.; Aslam, Tariq Dennis; Bennett, Langdon Stanford
2015-11-02
A Gruneisen equation of state (EOS) is developed for the polymer TPX (poly 4-methyl-1-pentene) within the LANL hydrocode FLAG. Experimental shock Hugoniot data for TPX is fit to a form of the Gruneisen EOS, and the necessary parameters for implementing the TPX EOS in FLAG are presented. The TPX EOS is further validated through one-dimensional simulations of recent double-shock experiments, and a comparison is made between the new Gruneisen EOS for TPX and the EOS representation for TPX used in the LANL Common Model.
Hamiltonian field description of the one-dimensional Poisson-Vlasov equations
Morrison, P.J.
1981-07-01
The one-dimensional Poisson-Vlasov equations are cast into Hamiltonian form. A Poisson Bracket in terms of the phase space density, as sole dynamical variable, is presented. This Poisson bracket is not of the usual form, but possesses the commutator properties of antisymmetry, bilinearity, and nonassociativity by virtue of the Jacobi requirement. Clebsch potentials are seen to yield a conventional (canonical) formulation. This formulation is discretized by expansion in terms of an arbitrary complete set of basis functions. In particular, a wave field representation is obtained.
Dirac Equation and Quantum Relativistic Effects in a Single Trapped Ion
Lamata, L.; Leon, J.; Schaetz, T.; Solano, E.
2007-06-22
We present a method of simulating the Dirac equation in 3+1 dimensions for a free spin-1/2 particle in a single trapped ion. The Dirac bispinor is represented by four ionic internal states, and position and momentum of the Dirac particle are associated with the respective ionic variables. We show also how to simulate the simplified 1+1 case, requiring the manipulation of only two internal levels and one motional degree of freedom. Moreover, we study relevant quantum-relativistic effects, like the Zitterbewegung and Klein's paradox, the transition from massless to massive fermions, and the relativistic and nonrelativistic limits, via the tuning of controllable experimental parameters.
Diffusion coefficients of Fokker-Planck equation for rotating dust grains in a fusion plasma
Bakhtiyari-Ramezani, M. Alinejad, N.; Mahmoodi, J.
2015-11-15
In the fusion devices, ions, H atoms, and H{sub 2} molecules collide with dust grains and exert stochastic torques which lead to small variations in angular momentum of the grain. By considering adsorption of the colliding particles, thermal desorption of H atoms and normal H{sub 2} molecules, and desorption of the recombined H{sub 2} molecules from the surface of an oblate spheroidal grain, we obtain diffusion coefficients of the Fokker-Planck equation for the distribution function of fluctuating angular momentum. Torque coefficients corresponding to the recombination mechanism show that the nonspherical dust grains may rotate with a suprathermal angular velocity.
Gluon transport equation with effective mass and dynamical onset of Bose–Einstein condensation
Blaizot, Jean-Paul; Jiang, Yin; Liao, Jinfeng
2016-05-01
In this paper we study the transport equation describing a dense system of gluons, in the small scattering angle approximation, taking into account medium-generated effective masses of the gluons. We focus on the case of overpopulated systems that are driven to Bose–Einstein condensation on their way to thermalization. Lastly, the presence of a mass modifies the dispersion relation of the gluon, as compared to the massless case, but it is shown that this does not change qualitatively the scaling behavior in the vicinity of the onset.
Ultraviolet nightglow production near the magnetic equator by neutral-particle precipitation
Abreu, V.J.; Eastes, R.W.; Yee, J.H.; Solomon, S.C.; Chakrabarti, S.
1986-10-01
The near-modnight latitudinal (+/-45) distribution of the OI 911-A, 1304-A, and 1356-A emissions, observed by the extreme ultraviolet (EUV) spectrometer on the STP 78-1 satellite, were analyzed and compared as a function of geomagnetic activity. The dominant source of these emissions is radiative recombination of atomic oxygen ions; however, for geomagnetically distributed periods, excess OI 1304-A and 1356-A emission is observed within +/-5 of the dip equator. Neutral-particle precipitation from the ring current is discussed as a possible source of the excess OI 1304-A and 1356-A emission.
Gligoric, Goran; Hadzievski, Ljupco; Maluckov, Aleksandra; Malomed, Boris A.
2009-05-15
The stability and collapse of fundamental unstaggered bright solitons in the discrete Schroedinger equation with the nonpolynomial on-site nonlinearity, which models a nearly one-dimensional Bose-Einstein condensate trapped in a deep optical lattice, are studied in the presence of the long-range dipole-dipole (DD) interactions. The cases of both attractive and repulsive contact and DD interaction are considered. The results are summarized in the form of stability-collapse diagrams in the parametric space of the model, which demonstrate that the attractive DD interactions stabilize the solitons and help to prevent the collapse. Mobility of the discrete solitons is briefly considered too.
Exponentially-convergent Monte Carlo for the 1-D transport equation
Peterson, J. R.; Morel, J. E.; Ragusa, J. C.
2013-07-01
We define a new exponentially-convergent Monte Carlo method for solving the one-speed 1-D slab-geometry transport equation. This method is based upon the use of a linear discontinuous finite-element trial space in space and direction to represent the transport solution. A space-direction h-adaptive algorithm is employed to restore exponential convergence after stagnation occurs due to inadequate trial-space resolution. This methods uses jumps in the solution at cell interfaces as an error indicator. Computational results are presented demonstrating the efficacy of the new approach. (authors)
Effects of bounded space in the solutions of time-space fractional diffusion equation
Allami, M. H. [Laser and Plasma Research Institute, Shahid Beheshti University, Tehran (Iran, Islamic Republic of); Shokri, B. [Laser and Plasma Research Institute, Shahid Beheshti University, Tehran (Iran, Islamic Republic of); Physics Department, Shahid Beheshti University, G.C., Tehran (Iran, Islamic Republic of)
2010-12-15
By using a recently proposed numerical method, the fractional diffusion equation with memory in a finite domain is solved for different asymmetry parameters and fractional orders. Some scaling laws are revisited in this condition, such as growth rate in a distance from pulse perturbation, the time when the perturbative peak reaches the other points, and advectionlike behavior as a result of asymmetry and memory. Conditions for negativity and instability of solutions are shown. Also up-hill transport and its time-space region are studied.
Field theory and weak Euler-Lagrange equation for classical particle-field systems
Qin, Hong; Burby, Joshua W; Davidson, Ronald C
2014-10-01
It is commonly believed that energy-momentum conservation is the result of space-time symmetry. However, for classical particle-field systems, e.g., Klimontovich-Maxwell and Klimontovich- Poisson systems, such a connection hasn't been formally established. The difficulty is due to the fact that particles and the electromagnetic fields reside on different manifolds. To establish the connection, the standard Euler-Lagrange equation needs to be generalized to a weak form. Using this technique, energy-momentum conservation laws that are difficult to find otherwise can be systematically derived.
Next-to-leading order Balitsky-Kovchegov equation with resummation
Lappi, T.; Mantysaari, H.
2016-05-03
Here, we solve the Balitsky-Kovchegov evolution equation at next-to-leading order accuracy including a resummation of large single and double transverse momentum logarithms to all orders. We numerically determine an optimal value for the constant under the large transverse momentum logarithm that enables including a maximal amount of the full NLO result in the resummation. When this value is used, the contribution from the α2s terms without large logarithms is found to be small at large saturation scales and at small dipoles. Close to initial conditions relevant for phenomenological applications, these fixed-order corrections are shown to be numerically important.
Biondini, Gino; Kova?i?, Gregor
2014-03-15
The inverse scattering transform for the focusing nonlinear Schrdinger equation with non-zero boundary conditions at infinity is presented, including the determination of the analyticity of the scattering eigenfunctions, the introduction of the appropriate Riemann surface and uniformization variable, the symmetries, discrete spectrum, asymptotics, trace formulae and the so-called theta condition, and the formulation of the inverse problem in terms of a Riemann-Hilbert problem. In addition, the general behavior of the soliton solutions is discussed, as well as the reductions to all special cases previously discussed in the literature.
Dissipation in a rotating frame: Master equation, effective temperature, and Lamb shift
Verso, Alvise; Ankerhold, Joachim
2010-02-15
Motivated by recent realizations of microwave-driven nonlinear resonators in superconducting circuits, the impact of environmental degrees of freedom is analyzed as seen from a rotating frame. A system plus reservoir model is applied to consistently derive in the weak coupling limit the master equation for the reduced density in the moving frame and near the first bifurcation threshold. The concept of an effective temperature is introduced to analyze to what extent a detailed balance relation exists. Explicit expressions are also found for the Lamb-shift. Results for ohmic baths are in agreement with experimental findings, while for structured environments population inversion is predicted that may qualitatively explain recent observations.
Valilyev, O.V.; Paolucci, S.
1996-05-01
A dynamically adaptive multilevel structure of the algorithm provides a simple way to adapt computational refinements to local demands of the solution. High resolution computations are performed only in regions where sharp transitions occur. The scheme handles general boundary conditions. The method is applied to the solution of the one-dimensional Burgers equation with small viscosity, a moving shock problem, and a nonlinear thermoacoustic wave problem. The results indicate that the method is very accurate and efficient. 16 refs., 9 figs., 2 tab.
2–stage stochastic Runge–Kutta for stochastic delay differential equations
Rosli, Norhayati; Jusoh Awang, Rahimah; Bahar, Arifah; Yeak, S. H.
2015-05-15
This paper proposes a newly developed one-step derivative-free method, that is 2-stage stochastic Runge-Kutta (SRK2) to approximate the solution of stochastic delay differential equations (SDDEs) with a constant time lag, r > 0. General formulation of stochastic Runge-Kutta for SDDEs is introduced and Stratonovich Taylor series expansion for numerical solution of SRK2 is presented. Local truncation error of SRK2 is measured by comparing the Stratonovich Taylor expansion of the exact solution with the computed solution. Numerical experiment is performed to assure the validity of the method in simulating the strong solution of SDDEs.
The role of electron equation of state in heating partition of protons in a collisionless plasma
Parashar, Tulasi N.; Vasquez, Bernard J.; Markovskii, Sergei A.
2014-02-15
One of the outstanding questions related to the solar wind is the heating of solar wind plasma. Addressing this question requires a self consistent treatment of the kinetic physics of a collisionless plasma. A hybrid code (with particle ions and fluid electrons) is one of the most convenient computational tools, which allows us to explore self consistent ion kinetics, while saving us computational time as compared to the full particle in cell codes. A common assumption used in hybrid codes is that of isothermal electrons. In this paper, we discuss the role that the equation of state for electrons could potentially play in determining the ion kinetics.
Photon equation of motion with application to the electron's anomalous magnetic moment
Ritchie, A B
2007-12-06
The photon equation of motion previously applied to the Lamb shift is here applied to the anomalous magnetic moment of the electron. Exact agreement is obtained with the QED result of Schwinger. The photon theory treats the radiative correction to the photon in the presence of the electron rather than its inverse as in standard QED. The result is found to be first-order in the photon-electron interaction rather than second-order as in standard QED, introducing an ease of calculation hitherto unavailable.
James A. MacLachlan
2001-07-12
Numerical simulations of cooling processes over minutes or hours of real time are usually carried out using direct solution of the Fokker-Planck equation. However, by using scaling rules derived from that equation, it is possible to use macroparticle representations of the beam distribution. Besides having applications for cooling alone, the macroparticle approach allows combining the cooling process with other dynamical processes which are represented by area-preserving maps. A time-scaling rule derived from the Vlasov equation can be used to adjust the time step of a map-based dynamics calculation to one more suitable for combining with a macroparticle Fokker-Planck calculation. The time scaling for the Vlasov equation is also useful for substantially more rapid calculations when a macroparticle model of a conservative multiparticle system requires a large number of macroparticles to faithfully produce the collective potential or when the model must simulate a long time period.
Lue Xing; Sun Kun; Wang Pan; Tian Bo
2010-11-15
In the framework of Bell-polynomial manipulations, under investigation hereby are three single-field bilinearizable equations: the (1+1)-dimensional shallow water wave model, Boiti-Leon-Manna-Pempinelli model, and (2+1)-dimensional Sawada-Kotera model. Based on the concept of scale invariance, a direct and unifying Bell-polynomial scheme is employed to achieve the Baecklund transformations and Lax pairs associated with those three soliton equations. Note that the Bell-polynomial expressions and Bell-polynomial-typed Baecklund transformations for those three soliton equations can be, respectively, cast into the bilinear equations and bilinear Baecklund transformations with symbolic computation. Consequently, it is also shown that the Bell-polynomial-typed Baecklund transformations can be linearized into the corresponding Lax pairs.
Equations of State of Anhydrous AlF3 and AlI3: Modeling of Extreme...
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Condition Halide Chemistry Citation Details In-Document Search Title: Equations of State of Anhydrous AlF3 and AlI3: Modeling of Extreme Condition Halide Chemistry Authors: ...
Stephani, H.
1988-07-01
The framework of Lie--Baecklund (or generalized) symmetries is used to give a unifying view of some of the known symmetries of Einstein's field equations for the vacuum or perfect fluid case (with a ..mu.. = p or a ..mu..+3p = 0 equation of state). These symmetries occur if space-time admits one or two Killing vectors (orthogonal or parallel, respectively, to the four-velocity in the perfect fluid case).
Boozer, Allen H.
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 consumption 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.
Lipnikov, Konstantin; Moulton, David; Svyatskiy, Daniil
2016-04-29
We develop a new approach for solving the nonlinear Richards’ equation arising in variably saturated flow modeling. The growing complexity of geometric models for simulation of subsurface flows leads to the necessity of using unstructured meshes and advanced discretization methods. Typically, a numerical solution is obtained by first discretizing PDEs and then solving the resulting system of nonlinear discrete equations with a Newton-Raphson-type method. Efficiency and robustness of the existing solvers rely on many factors, including an empiric quality control of intermediate iterates, complexity of the employed discretization method and a customized preconditioner. We propose and analyze a new preconditioningmore » strategy that is based on a stable discretization of the continuum Jacobian. We will show with numerical experiments for challenging problems in subsurface hydrology that this new preconditioner improves convergence of the existing Jacobian-free solvers 3-20 times. Furthermore, we show that the Picard method with this preconditioner becomes a more efficient nonlinear solver than a few widely used Jacobian-free solvers.« less
Solving the Bateman equations in CASMO5 using implicit ode numerical methods for stiff systems
Hykes, J. M.; Ferrer, R. M.
2013-07-01
The Bateman equations, which describe the transmutation of nuclides over time as a result of radioactive decay, absorption, and fission, are often numerically stiff. This is especially true if short-lived nuclides are included in the system. This paper describes the use of implicit numerical methods for o D Es applied to the stiff Bateman equations, specifically employing the Backward Differentiation Formulas (BDF) form of the linear multistep method. As is true in other domains, using an implicit method removes or lessens the (sometimes severe) step-length constraints by which explicit methods must abide. To gauge its accuracy and speed, the BDF method is compared to a variety of other solution methods, including Runge-Kutta explicit methods and matrix exponential methods such as the Chebyshev Rational Approximation Method (CRAM). A preliminary test case was chosen as representative of a PWR lattice depletion step and was solved with numerical libraries called from a Python front-end. The Figure of Merit (a combined measure of accuracy and efficiency) for the BDF method was nearly identical to that for CRAM, while explicit methods and other matrix exponential approximations trailed behind. The test case includes 319 nuclides, in which the shortest-lived nuclide is {sup 98}Nb with a half-life of 2.86 seconds. Finally, the BDF and CRAM methods were compared within CASMO5, where CRAM had a FOM about four times better than BDF, although the BDF implementation was not fully optimized. (authors)
Implementation of two-equation soot flamelet models for laminar diffusion flames
Carbonell, D.; Oliva, A.; Perez-Segarra, C.D.
2009-03-15
The two-equation soot model proposed by Leung et al. [K.M. Leung, R.P. Lindstedt, W.P. Jones, Combust. Flame 87 (1991) 289-305] has been derived in the mixture fraction space. The model has been implemented using both Interactive and Non-Interactive flamelet strategies. An Extended Enthalpy Defect Flamelet Model (E-EDFM) which uses a flamelet library obtained neglecting the soot formation is proposed as a Non-Interactive method. The Lagrangian Flamelet Model (LFM) is used to represent the Interactive models. This model uses direct values of soot mass fraction from flamelet calculations. An Extended version (E-LFM) of this model is also suggested in which soot mass fraction reaction rates are used from flamelet calculations. Results presented in this work show that the E-EDFM predict acceptable results. However, it overpredicts the soot volume fraction due to the inability of this model to couple the soot and gas-phase mechanisms. It has been demonstrated that the LFM is not able to predict accurately the soot volume fraction. On the other hand, the extended version proposed here has been shown to be very accurate. The different flamelet mathematical formulations have been tested and compared using well verified reference calculations obtained solving the set of the Full Transport Equations (FTE) in the physical space. (author)
Wong, Pring; Pang, Li-Hui; Huang, Long-Gang; Li, Yan-Qing; Lei, Ming; Liu, Wen-Jun
2015-09-15
The study of the complex Ginzburg–Landau equation, which can describe the fiber laser system, is of significance for ultra-fast laser. In this paper, dromion-like structures for the complex Ginzburg–Landau equation are considered due to their abundant nonlinear dynamics. Via the modified Hirota method and simplified assumption, the analytic dromion-like solution is obtained. The partial asymmetry of structure is particularly discussed, which arises from asymmetry of nonlinear and dispersion terms. Furthermore, the stability of dromion-like structures is analyzed. Oscillation structure emerges to exhibit strong interference when the dispersion loss is perturbed. Through the appropriate modulation of modified exponent parameter, the oscillation structure is transformed into two dromion-like structures. It indicates that the dromion-like structure is unstable, and the coherence intensity is affected by the modified exponent parameter. Results in this paper may be useful in accounting for some nonlinear phenomena in fiber laser systems, and understanding the essential role of modified Hirota method.
Measurements of the equations of state and spectrum of nonideal xenon plasma under shock compression
Zheng, J.; Gu, Y. J.; Chen, Z. Y.; Chen, Q. F.
2010-08-15
Experimental equations of state on generation of nonideal xenon plasma by intense shock wave compression was presented in the ranges of pressure of 2-16 GPa and temperature of 31-50 kK, and the xenon plasma with the nonideal coupling parameter {Gamma} range from 0.6-2.1 was generated. The shock wave was produced using the flyer plate impact and accelerated up to {approx}6 km/s with a two-stage light gas gun. Gaseous specimens were shocked from two initial pressures of 0.80 and 4.72 MPa at room temperature. Time-resolved spectral radiation histories were recorded by using a multiwavelength channel pyrometer. The transient spectra with the wavelength range of 460-700 nm were recorded by using a spectrometer to evaluate the shock temperature. Shock velocity was measured and particle velocity was determined by the impedance matching methods. The equations of state of xenon plasma and ionization degree have been discussed in terms of the self-consistent fluid variational theory.
Cluster virial expansion for the equation of state of partially ionized hydrogen plasma
Omarbakiyeva, Y. A.; Fortmann, C.; Ramazanov, T. S.; Roepke, G.
2010-08-15
We study the contribution of electron-atom interaction to the equation of state for partially ionized hydrogen plasma using the cluster-virial expansion. We use the Beth-Uhlenbeck approach to calculate the second virial coefficient for the electron-atom (bound cluster) pair from the corresponding scattering phase shifts and binding energies. Experimental scattering cross-sections as well as phase shifts calculated on the basis of different pseudopotential models are used as an input for the Beth-Uhlenbeck formula. By including Pauli blocking and screening in the phase shift calculation, we generalize the cluster-virial expansion in order to cover also near solid density plasmas. We present results for the electron-atom contribution to the virial expansion and the corresponding equation of state, i.e. pressure, composition, and chemical potential as a function of density and temperature. These results are compared with semiempirical approaches to the thermodynamics of partially ionized plasmas. Avoiding any ill-founded input quantities, the Beth-Uhlenbeck second virial coefficient for the electron-atom interaction represents a benchmark for other, semiempirical approaches.
Hu, S. X.; Collins, L. A.; Goncharov, V. N.; Kress, J. D.; McCrory, R. L.; Skupsky, S.
2015-10-14
Obtaining an accurate equation of state (EOS) of polystyrene (CH) is crucial to reliably design inertial confinement fusion (ICF) capsules using CH/CH-based ablators. Thus, with first-principles calculations, we have investigated the extended EOS of CH over a wide range of plasma conditions (ρ = 0.1 to 100 g/cm^{3} and T = 1,000 to 4,000,000 K). When compared with the widely used SESAME-EOS table, the first-principles equation of state (FPEOS) of CH has shown significant differences in the low-temperature regime, in which strong coupling and electron degeneracy play an essential role in determining plasma properties. Hydrodynamic simulations of cryogenic target implosions on OMEGA using the FPEOS table of CH have predicted ~5% reduction in implosion velocity and ~30% decrease in neutron yield in comparison with the usual SESAME simulations. This is attributed to the ~10% lower mass ablation rate of CH predicted by FPEOS. Simulations using CH-FPEOS show better agreement with measurements of Hugoniot temperature and scattered lights from ICF implosions.
Equation-based languages – A new paradigm for building energy modeling, simulation and optimization
Wetter, Michael; Bonvini, Marco; Nouidui, Thierry S.
2016-04-01
Most of the state-of-the-art building simulation programs implement models in imperative programming languages. This complicates modeling and excludes the use of certain efficient methods for simulation and optimization. In contrast, equation-based modeling languages declare relations among variables, thereby allowing the use of computer algebra to enable much simpler schematic modeling and to generate efficient code for simulation and optimization. We contrast the two approaches in this paper. We explain how such manipulations support new use cases. In the first of two examples, we couple models of the electrical grid, multiple buildings, HVAC systems and controllers to test a controller thatmore » adjusts building room temperatures and PV inverter reactive power to maintain power quality. In the second example, we contrast the computing time for solving an optimal control problem for a room-level model predictive controller with and without symbolic manipulations. As a result, exploiting the equation-based language led to 2, 200 times faster solution« less
Xiaodong Liu; Lijun Xuan; Hong Luo; Yidong Xia
2001-01-01
A reconstructed discontinuous Galerkin (rDG(P1P2)) method, originally introduced for the compressible Euler equations, is developed for the solution of the compressible Navier- Stokes equations on 3D hybrid grids. In this method, a piecewise quadratic polynomial solution is obtained from the underlying piecewise linear DG solution using a hierarchical Weighted Essentially Non-Oscillatory (WENO) reconstruction. The reconstructed quadratic polynomial solution is then used for the computation of the inviscid fluxes and the viscous fluxes using the second formulation of Bassi and Reay (Bassi-Rebay II). The developed rDG(P1P2) method is used to compute a variety of flow problems to assess its accuracy, efficiency, and robustness. The numerical results demonstrate that the rDG(P1P2) method is able to achieve the designed third-order of accuracy at a cost slightly higher than its underlying second-order DG method, outperform the third order DG method in terms of both computing costs and storage requirements, and obtain reliable and accurate solutions to the large eddy simulation (LES) and direct numerical simulation (DNS) of compressible turbulent flows.
Zakharov-Kuznetsov equation in a magnetized plasma with two temperature superthermal electrons
Saini, N. S. Chahal, B. S.; Bains, A. S.; Bedi, C.
2014-02-15
A nonlinear Zakharov-Kuznetsov (ZK) equation for ion-acoustic solitary waves (IASWs) in a magnetized plasmas containing kappa distributed cold and hot electrons is derived by using reductive perturbation method. From the solution of ZK equation, the characteristics of IASWs have been studied under the influence of various plasma parameters. Existence domain of physical parameters is determined. It has been observed that the present plasma system supports the existence of both positive as well as negative potential solitons. The combined effects of cold to hot electron temperature ratio (σ), density ratio of cold electrons to ions (f), superthermality of cold and hot electrons (κ{sub c},κ{sub h}), strength of magnetic field (via Ω{sub i}), and obliqueness (θ) significantly influence the profile of IASWs. The physical parameters play a great role to modify the width and amplitude of the solitary structures. The stability analysis is also presented in this investigation and parametric range is determined to check the presence of stable and unstable solitons. The findings of this study are important to the physics of electrostatic wave structures in the Saturn's magnetosphere where two temperature electrons with kappa distribution exist.
Time-local view of nonequilibrium statistical mechanics. II. Generalized Langevin equations
Der, R.
1987-01-01
On a semiphenomenological level, generalized Langevin equations are usually obtained by adding a random force (RF) term to macroscopic deterministic equations assumed to be known. Here this procedure is made rigorous by conveniently redefining the RF, which is shown to be colored noise weakly correlated with the observables at earlier times due to the finite lifetime of microscopic events. Corresponding fluctuation-dissipation theorems are derived. Explicit expressions for the spectral density of the fluctuations are obtained in a particularly simple form, with the deviation of the line shape from the Lorentzian being related most explicitly to the spectral density of the RF. Well-known low-frequency expressions and the Einstein relation of (generalized) Brownian motion theory are modified so as to include lifetime effects. New sum rules are obtained relating dissipative quantities to contour integrals (in the complex frequency domain) over spectral densities or corresponding response functions. The Heisenberg dynamics of a complete set of macroobservables is shown to be equivalent to a generalized Orstein-Uhlenbeck stochastic process which is a non-Markovian process due to the lifetime effects.
Roberts, Nathan V.; Demkowiz, Leszek; Moser, Robert
2015-11-15
The discontinuous Petrov-Galerkin methodology with optimal test functions (DPG) of Demkowicz and Gopalakrishnan [18, 20] guarantees the optimality of the solution in an energy norm, and provides several features facilitating adaptive schemes. Whereas Bubnov-Galerkin methods use identical trial and test spaces, Petrov-Galerkin methods allow these function spaces to differ. In DPG, test functions are computed on the fly and are chosen to realize the supremum in the inf-sup condition; the method is equivalent to a minimum residual method. For well-posed problems with sufficiently regular solutions, DPG can be shown to converge at optimal rates—the inf-sup constants governing the convergence are mesh-independent, and of the same order as those governing the continuous problem [48]. DPG also provides an accurate mechanism for measuring the error, and this can be used to drive adaptive mesh refinements. We employ DPG to solve the steady incompressible Navier-Stokes equations in two dimensions, building on previous work on the Stokes equations, and focusing particularly on the usefulness of the approach for automatic adaptivity starting from a coarse mesh. We apply our approach to a manufactured solution due to Kovasznay as well as the lid-driven cavity flow, backward-facing step, and flow past a cylinder problems.
Chilton, Sven H.
2008-04-15
The WARP code is a robust electrostatic particle-in-cell simulation package used to model charged particle beams with strong space-charge forces. A fundamental operation associated with seeding detailed simulations of a beam transport channel is to generate initial conditions where the beam distribution is matched to the structure of a periodic focusing lattice. This is done by solving for periodic, matched solutions to a coupled set of ODEs called the Kapchinskij-Vladimirskij (KV) envelope equations, which describe the evolution of low-order beam moments subject to applied lattice focusing, space-charge defocusing, and thermal defocusing forces. Recently, an iterative numerical method was developed (Lund, Chilton, and Lee, Efficient computation of matched solutions to the KV envelope equations for periodic focusing lattices, Physical Review Special Topics-Accelerators and Beams 9, 064201 2006) to generate matching conditions in a highly flexible, convergent, and fail-safe manner. This method is extended and implemented in the WARP code as a Python package to vastly ease the setup of detailed simulations. In particular, the Python package accommodates any linear applied lattice focusing functions without skew coupling, and a more general set of beam parameter specifications than its predecessor. Lattice strength iteration tools were added to facilitate the implementation of problems with specific applied focusing strengths.
Chilton, Sven; Chilton, Sven H.
2008-07-01
The WARP code is a robust electrostatic particle-in-cell simulation package used to model charged particle beams with strong space-charge forces. A fundamental operation associated with seeding detailed simulations of a beam transport channel is to generate initial conditions where the beam distribution is matched to the structure of a periodic focusing lattice. This is done by solving for periodic, matched solutions to a coupled set of ODEs called the Kapchinskij-Vladimirskij (KV) envelope equations, which describe the evolution of low-order beam moments subject to applied lattice focusing, space-charge defocusing, and thermal defocusing forces. Recently, an iterative numerical method was developed (Lund, Chilton, and Lee, Efficient computation of matched solutions to the KV envelope equations for periodic focusing lattices, Physical Review Special Topics-Accelerators and Beams 9, 064201 2006) to generate matching conditions in a highly flexible, convergent, and fail-safe manner. This method is extended and implemented in the WARP code as a Python package to vastly ease the setup of detailed simulations. In particular, the Python package accommodates any linear applied lattice focusing functions without skew coupling, and a more general set of beam parameter specifications than its predecessor. Lattice strength iteration tools were added to facilitate the implementation of problems with specific applied focusing strengths.
Rate equations for nitrogen molecules in ultrashort and intense x-ray pulses
Liu, Ji -Cai; Berrah, Nora; Cederbaum, Lorenz S.; Cryan, James P.; Glownia, James M.; Schafer, Kenneth J.; Buth, Christian
2016-03-16
Here, we study theoretically the quantum dynamics of nitrogen molecules (N2) exposed to intense and ultrafast x-rays at a wavelength ofmore » $$1.1\\;{\\rm{nm}}$$ ($$1100\\;{\\rm{eV}}$$ photon energy) from the Linac Coherent Light Source (LCLS) free electron laser. Molecular rate equations are derived to describe the intertwined photoionization, decay, and dissociation processes occurring for N2. This model complements our earlier phenomenological approaches, the single-atom, symmetric-sharing, and fragmentation-matrix models of 2012 (J. Chem. Phys. 136 214310). Our rate-equations are used to obtain the effective pulse energy at the sample and the time scale for the dissociation of the metastable dication $${{\\rm{N}}}_{2}^{2+}$$. This leads to a very good agreement between the theoretically and experimentally determined ion yields and, consequently, the average charge states. The effective pulse energy is found to decrease with shortening pulse duration. This variation together with a change in the molecular fragmentation pattern and frustrated absorption—an effect that reduces absorption of x-rays due to (double) core hole formation—are the causes for the drop of the average charge state with shortening LCLS pulse duration discovered previously.« less
Hu, S. X.; Collins, L. A.; Goncharov, V. N.; Kress, J. D.; McCrory, R. L.; Skupsky, S.
2015-10-14
Obtaining an accurate equation of state (EOS) of polystyrene (CH) is crucial to reliably design inertial confinement fusion (ICF) capsules using CH/CH-based ablators. Thus, with first-principles calculations, we have investigated the extended EOS of CH over a wide range of plasma conditions (ρ = 0.1 to 100 g/cm3 and T = 1,000 to 4,000,000 K). When compared with the widely used SESAME-EOS table, the first-principles equation of state (FPEOS) of CH has shown significant differences in the low-temperature regime, in which strong coupling and electron degeneracy play an essential role in determining plasma properties. Hydrodynamic simulations of cryogenic target implosionsmore » on OMEGA using the FPEOS table of CH have predicted ~5% reduction in implosion velocity and ~30% decrease in neutron yield in comparison with the usual SESAME simulations. This is attributed to the ~10% lower mass ablation rate of CH predicted by FPEOS. Simulations using CH-FPEOS show better agreement with measurements of Hugoniot temperature and scattered lights from ICF implosions.« less
The dark energy cosmic clock: a new way to parametrise the equation of state
Tarrant, Ewan R.M.; Copeland, Edmund J.; Padilla, Antonio; Skordis, Constantinos E-mail: ed.copeland@nottingham.ac.uk E-mail: skordis@nottingham.ac.uk
2013-12-01
We propose a new parametrisation of the dark energy equation of state, which uses the dark energy density, Ω{sub e} as a cosmic clock. We expand the equation of state in a series of orthogonal polynomials, with Ω{sub e} as the expansion parameter and determine the expansion coefficients by fitting to SNIa and H(z) data. Assuming that Ω{sub e} is a monotonic function of time, we show that our parametrisation performs better than the popular Chevallier-Polarski-Linder (CPL) and Gerke and Efstathiou (GE) parametrisations, and we demonstrate that it is robust to the choice of prior. Expanding in orthogonal polynomials allows us to relate models of dark energy directly to our parametrisation, which we illustrate by placing constraints on the expansion coefficients extracted from two popular quintessence models. Finally, we comment on how this parametrisation could be modified to accommodate high redshift data, where any non-monotonicity of Ω{sub e} would need to be accounted for.
Huang, Lianjie; Simonetti, Francesco; Huthwaite, Peter; Rosenberg, Robert; Williamson, Michael
2010-01-01
Ultrasound image resolution and quality need to be significantly improved for breast microcalcification detection. Super-resolution imaging with the factorization method has recently been developed as a promising tool to break through the resolution limit of conventional imaging. In addition, wave-equation reflection imaging has become an effective method to reduce image speckles by properly handling ultrasound scattering/diffraction from breast heterogeneities during image reconstruction. We explore the capabilities of a novel super-resolution ultrasound imaging method and a wave-equation reflection imaging scheme for detecting breast microcalcifications. Super-resolution imaging uses the singular value decomposition and a factorization scheme to achieve an image resolution that is not possible for conventional ultrasound imaging. Wave-equation reflection imaging employs a solution to the acoustic-wave equation in heterogeneous media to backpropagate ultrasound scattering/diffraction waves to scatters and form images of heterogeneities. We construct numerical breast phantoms using in vivo breast images, and use a finite-difference wave-equation scheme to generate ultrasound data scattered from inclusions that mimic microcalcifications. We demonstrate that microcalcifications can be detected at full spatial resolution using the super-resolution ultrasound imaging and wave-equation reflection imaging methods.
Analytical solutions of a fractional diffusion-advection equation for solar cosmic-ray transport
Litvinenko, Yuri E.; Effenberger, Frederic
2014-12-01
Motivated by recent applications of superdiffusive transport models to shock-accelerated particle distributions in the heliosphere, we analytically solve a one-dimensional fractional diffusion-advection equation for the particle density. We derive an exact Fourier transform solution, simplify it in a weak diffusion approximation, and compare the new solution with previously available analytical results and with a semi-numerical solution based on a Fourier series expansion. We apply the results to the problem of describing the transport of energetic particles, accelerated at a traveling heliospheric shock. Our analysis shows that significant errors may result from assuming an infinite initial distance between the shock and the observer. We argue that the shock travel time should be a parameter of a realistic superdiffusive transport model.
Bressloff, N.W.; Moss, J.B.; Rubini, P.A.
1997-01-01
The differential total absorptivity (DTA) solution to the radiative transfer equation, originally devised for combustion gases in the discrete transfer radiation model, is extended to mixtures of gaseous combustion products and soot. The method is compared to other solution techniques for representative mixtures across single lines of sight and across a layer bounded by solid walls. Intermediate soot loadings are considered such that the total radiance is not dominated by either the gaseous or soot components. The DTA solution is shown to yield excellent accuracy relative to a narrow-band solution, with a considerable saving in computational cost. Thus, explicit treatment of the source temperature dependence of absorption is successfully demonstrated without the need for spectral integration.
Zerilli, Frank J.; Armstrong, Ronald W.
1998-07-10
A closer look into the predicted large strain response and plastic shear instability behavior derived from the so-called Z-A equations, incorporating thermally activated yielding of bcc metals (due to their high Peierls stresses) and thermally activated strain hardening of fcc metals (produced by dislocation intersections), shows the need for including dynamic recovery effects in the strain hardening for both bcc and fcc cases. Recovery effects are observed in the stress/strain behavior of tantalum and the bcc-like Ti-6A1-4V titanium alloy. Critical strains for shear banding are computed for Ti-6Al-4V, copper, and ARMCO iron. In addition, a recent result on ductile fracture is reported.
Bailey, T S; Chang, J H; Warsa, J S; Adams, M L
2010-12-22
We present a new spatial discretization of the discrete-ordinates transport equation in two-dimensional Cartesian (X-Y) geometry for arbitrary polygonal meshes. The discretization is a discontinuous finite element method (DFEM) that utilizes piecewise bi-linear (PWBL) basis functions, which are formally introduced in this paper. We also present a series of numerical results on quadrilateral and polygonal grids and compare these results to a variety of other spatial discretizations that have been shown to be successful on these grid types. Finally, we note that the properties of the PWBL basis functions are such that the leading-order piecewise bi-linear discontinuous finite element (PWBLD) solution will satisfy a reasonably accurate diffusion discretization in the thick diffusion limit, making the PWBLD method a viable candidate for many different classes of transport problems.
Di Nunno, Giulia; Khedher, Asma; Vanmaele, Michèle
2015-12-15
We consider a backward stochastic differential equation with jumps (BSDEJ) which is driven by a Brownian motion and a Poisson random measure. We present two candidate-approximations to this BSDEJ and we prove that the solution of each candidate-approximation converges to the solution of the original BSDEJ in a space which we specify. We use this result to investigate in further detail the consequences of the choice of the model to (partial) hedging in incomplete markets in finance. As an application, we consider models in which the small variations in the price dynamics are modeled with a Poisson random measure with infinite activity and models in which these small variations are modeled with a Brownian motion or are cut off. Using the convergence results on BSDEJs, we show that quadratic hedging strategies are robust towards the approximation of the market prices and we derive an estimation of the model risk.
Prediction of explosive cylinder tests using equations of state from the PANDA code
Kerley, G.I.; Christian-Frear, T.L.
1993-09-28
The PANDA code is used to construct tabular equations of state (EOS) for the detonation products of 24 explosives having CHNO compositions. These EOS, together with a reactive burn model, are used in numerical hydrocode calculations of cylinder tests. The predicted detonation properties and cylinder wall velocities are found to give very good agreement with experimental data. Calculations of flat plate acceleration tests for the HMX-based explosive LX14 are also made and shown to agree well with the measurements. The effects of the reaction zone on both the cylinder and flat plate tests are discussed. For TATB-based explosives, the differences between experiment and theory are consistently larger than for other compositions and may be due to nonideal (finite dimameter) behavior.
Collapse for the higher-order nonlinear Schrödinger equation
Achilleos, V.; Diamantidis, S.; Frantzeskakis, D. J.; Horikis, T. P.; Karachalios, N. I.; Kevrekidis, P. G.
2016-02-01
We examine conditions for finite-time collapse of the solutions of the higher-order nonlinear Schr odinger (NLS) equation incorporating third-order dispersion, self-steepening, linear and nonlinear gain and loss, and Raman scattering; this is a system that appears in many physical contexts as a more realistic generalization of the integrable NLS. By using energy arguments, it is found that the collapse dynamics is chiefly controlled by the linear/nonlinear gain/loss strengths. We identify a critical value of the linear gain, separating the possible decay of solutions to the trivial zero-state, from collapse. The numerical simulations, performed for a wide class of initial data,more » are found to be in very good agreement with the analytical results, and reveal long-time stability properties of localized solutions. The role of the higher-order effects to the transient dynamics is also revealed in these simulations.« less
Equation-of-State Test Suite for the DYNA3D Code
Benjamin, Russell D.
2015-11-05
This document describes the creation and implementation of a test suite for the Equationof- State models in the DYNA3D code. A customized input deck has been created for each model, as well as a script that extracts the relevant data from the high-speed edit file created by DYNA3D. Each equation-of-state model is broken apart and individual elements of the model are tested, as well as testing the entire model. The input deck for each model is described and the results of the tests are discussed. The intent of this work is to add this test suite to the validation suite presently used for DYNA3D.
Predictions of the equation of state of cerium yield interesting insights into experimental results
Cherne, Frank J; Jensen, Brian J; Rigg, Paulo A; Elkin, Vyacheslav M
2009-01-01
There has been much interest in the past in understanding the dynamic properties of phase changing materials. In this paper we begin to explore the dynamic properties of the complex material of cerium. Cerium metal is a good candidate material to explore capabilities in determining a dynamic phase diagram on account of its low dynamic phase boundaries, namely, the {gamma}-{alpha}, and {alpha}-liquid phase boundaries. Here we present a combination of experimental results with calculated results to try to understand the dynamic behavior of the material. Using the front surface impact technique, we performed a series of experiments which displayed a rarefaction shock upon release. These experiments show that the reversion shock stresses occur at different magnitudes, allowing us to plot out the {gamma}-{alpha} phase boundary. Applying a multiphase equation of state a broader understanding of the experimental results will be discussed.
Isothermal Multiphase Flash Calculations with the PC-SAFT Equation of State
Justo-Garcia, Daimler N.; Garcia-Sanchez, Fernando; Romero-Martinez, Ascencion
2008-03-05
A computational approach for isothermal multiphase flash calculations with the PC-SAFT (Perturbed-Chain Statistical Associating Fluid Theory) equation of state is presented. In the framework of the study of fluid phase equilibria of multicomponent systems, the general multiphase problem is the single most important calculation which consists of finding the correct number and types of phases and their corresponding equilibrium compositions such that the Gibbs energy of the system is a minimum. For solving this problem, the system Gibbs energy was minimized using a rigorous method for thermodynamic stability analysis to find the most stable state of the system. The efficiency and reliability of the approach to predict and calculate complex phase equilibria are illustrated by solving three typical problems encountered in the petroleum industry.
Bhaskaran-Nair, Kiran; Kowalski, Karol; Jarrell, Mark; Moreno, Juana; Shelton, William A.
2015-11-05
Polyacenes have attracted considerable attention due to their use in organic based optoelectronic materials. Polyacenes are polycyclic aromatic hydrocarbons composed of fused benzene rings. Key to understanding and design of new functional materials is an understanding of their excited state properties starting with their electron affinity (EA) and ionization potential (IP). We have developed a highly accurate and com- putationally e*fficient EA/IP equation of motion coupled cluster singles and doubles (EA/IP-EOMCCSD) method that is capable of treating large systems and large basis set. In this study we employ the EA/IP-EOMCCSD method to calculate the electron affinity and ionization potential of naphthalene, anthracene, tetracene, pentacene, hex- acene and heptacene. We have compared our results with other previous theoretical studies and experimental data. Our EA/IP results are in very good agreement with experiment and when compared with the other theoretical investigations our results represent the most accurate calculations as compared to experiment.
Shock-wave equation-of-state measurements in fused silica up to 1600 GPa
McCoy, C. A.; Gregor, M. C.; Polsin, D. N.; Fratanduono, D. E.; Celliers, P. M.; Boehly, T. R.; Meyerhofer, D. D.
2016-06-02
The properties of silica are important to geophysical and high-pressure equation of state research. The most prevalent crystalline form, α-quartz, has been extensively studied to TPa pressures. Recent experiments with amorphous silica, commonly referred to as fused silica, provided Hugoniot and reflectivity data up to 630 GPa using magnetically-driven aluminum impactors. This article presents measurements of the fused silica Hugoniot over the range from 200 to 1600 GPa using laser-driven shocks with a quartz standard. These results extend the measured Hugoniot of fused silica to higher pressures, but more importantly, in the 200-600 GPa range, the data are very goodmore » agreement with those obtained with a different driver and standard material. As a result, a new shock velocity-particle velocity relation is derived to fit the experimental data.« less
Kowalski, Karol
2006-09-28
The stationary conditions obtained from approximate coupled-cluster functional derived from the Numerator-Denominator connected Expansion (NDC) [K. Kowalski, P. Piecuch, J Chem. Phys. 122 (2005) 074107] are employed to calculate the linear response of cluster amplitudes. A simple scheme that involves singly and doubly excited amplitudes, termed locally renormalized equation-of-motion approach with singles and doubles (LR-EOMCCSD), is compared with other excited-state methods that include up to two-body operators in the wavefunction expansion. In particular, the impact of the local denominators on the excitation energies is discussed in detail. Several benchmark calculations on the CH+, C?, N?, O?, CIOCI molecules are presented to illustrate the performance of the LR-EOMCCSD approach.
Jiang Haiyan; Cai Wei; Tsu, Raphael
2011-03-01
In this paper, the accuracy of the Frensley inflow boundary condition of the Wigner equation is analyzed in computing the I-V characteristics of a resonant tunneling diode (RTD). It is found that the Frensley inflow boundary condition for incoming electrons holds only exactly infinite away from the active device region and its accuracy depends on the length of contacts included in the simulation. For this study, the non-equilibrium Green's function (NEGF) with a Dirichlet to Neumann mapping boundary condition is used for comparison. The I-V characteristics of the RTD are found to agree between self-consistent NEGF and Wigner methods at low bias potentials with sufficiently large GaAs contact lengths. Finally, the relation between the negative differential conductance (NDC) of the RTD and the sizes of contact and buffer in the RTD is investigated using both methods.
Locally Renormalized Coupled-Cluster Equations for Singly and Doubly Excited Clusters
Kowalski, Karol
2006-07-10
The Numerator-Denominator Connected (NDC) Expansion for the Coupled-Cluster (CC) method [K. Kowalski, P. Piecuch, J. Chem. Phys. 122 (2005) 074107], is used to construct a new set of stationary conditions for approximate coupled-cluster approaches. Several CC approximations based on models involving singles and doubles (CCSD) as well as singles, doubles, and triples (CCSDT) are developed and discussed in the context of ground-state applications. The resulting locally-renormalized CCSD (LR-CCSD) and CCSDT (LR-CCSDT) equations are shown to regularize the expressions for the cluster amplitudes in the challenging situations that occur when the orbital energy differences approach zero. Affordable schemes for handling the local denominators (all-holes-Jn coupling), that naturally appear in locally renormalized formalisms, are also discussed.
Accelerating Time Integration for the Shallow Water Equations on the Sphere Using GPUs
Archibald, R.; Evans, K. J.; Salinger, A.
2015-06-01
The push towards larger and larger computational platforms has made it possible for climate simulations to resolve climate dynamics across multiple spatial and temporal scales. This direction in climate simulation has created a strong need to develop scalable time-stepping methods capable of accelerating throughput on high performance computing. This work details the recent advances in the implementation of implicit time stepping on a spectral element cube-sphere grid using graphical processing units (GPU) based machines. We demonstrate how solvers in the Trilinos project are interfaced with ACME and GPU kernels can significantly increase computational speed of the residual calculations in themore » implicit time stepping method for the shallow water equations on the sphere. We show the optimization gains and data structure reorganization that facilitates the performance improvements.« less
Accelerating Time Integration for the Shallow Water Equations on the Sphere Using GPUs
Archibald, R.; Evans, K. J.; Salinger, A.
2015-06-01
The push towards larger and larger computational platforms has made it possible for climate simulations to resolve climate dynamics across multiple spatial and temporal scales. This direction in climate simulation has created a strong need to develop scalable time-stepping methods capable of accelerating throughput on high performance computing. This work details the recent advances in the implementation of implicit time stepping on a spectral element cube-sphere grid using graphical processing units (GPU) based machines. We demonstrate how solvers in the Trilinos project are interfaced with ACME and GPU kernels can significantly increase computational speed of the residual calculations in the implicit time stepping method for the shallow water equations on the sphere. We show the optimization gains and data structure reorganization that facilitates the performance improvements.
A node-centered local refinement algorithm for poisson's equation in complex geometries
McCorquodale, Peter; Colella, Phillip; Grote, David P.; Vay, Jean-Luc
2004-05-04
This paper presents a method for solving Poisson's equation with Dirichlet boundary conditions on an irregular bounded three-dimensional region. The method uses a nodal-point discretization and adaptive mesh refinement (AMR) on Cartesian grids, and the AMR multigrid solver of Almgren. The discrete Laplacian operator at internal boundaries comes from either linear or quadratic (Shortley-Weller) extrapolation, and the two methods are compared. It is shown that either way, solution error is second order in the mesh spacing. Error in the gradient of the solution is first order with linear extrapolation, but second order with Shortley-Weller. Examples are given with comparison with the exact solution. The method is also applied to a heavy-ion fusion accelerator problem, showing the advantage of adaptivity.
Relativistic equation of state at subnuclear densities in the Thomas-Fermi approximation
Zhang, Z. W.; Shen, H., E-mail: shennankai@gmail.com [School of Physics, Nankai University, Tianjin 300071 (China)
2014-06-20
We study the non-uniform nuclear matter using the self-consistent Thomas-Fermi approximation with a relativistic mean-field model. The non-uniform matter is assumed to be composed of a lattice of heavy nuclei surrounded by dripped nucleons. At each temperature T, proton fraction Y{sub p} , and baryon mass density ? {sub B}, we determine the thermodynamically favored state by minimizing the free energy with respect to the radius of the Wigner-Seitz cell, while the nucleon distribution in the cell can be determined self-consistently in the Thomas-Fermi approximation. A detailed comparison is made between the present results and previous calculations in the Thomas-Fermi approximation with a parameterized nucleon distribution that has been adopted in the widely used Shen equation of state.
Algorithmically scalable block preconditioner for fully implicit shallow-water equations in CAM-SE
Lott, P. Aaron; Woodward, Carol S.; Evans, Katherine J.
2014-10-19
Performing accurate and efficient numerical simulation of global atmospheric climate models is challenging due to the disparate length and time scales over which physical processes interact. Implicit solvers enable the physical system to be integrated with a time step commensurate with processes being studied. The dominant cost of an implicit time step is the ancillary linear system solves, so we have developed a preconditioner aimed at improving the efficiency of these linear system solves. Our preconditioner is based on an approximate block factorization of the linearized shallow-water equations and has been implemented within the spectral element dynamical core within the Community Atmospheric Model (CAM-SE). Furthermore, in this paper we discuss the development and scalability of the preconditioner for a suite of test cases with the implicit shallow-water solver within CAM-SE.
Adaptive methods and parallel computation for partial differential equations. Final report
Biswas, R.; Benantar, M.; Flaherty, J.E.
1992-05-01
Consider the adaptive solution of two-dimensional vector systems of hyperbolic and elliptic partial differential equations on shared-memory parallel computers. Hyperbolic systems are approximated by an explicit finite volume technique and solved by a recursive local mesh refinement procedure on a tree-structured grid. Local refinement of the time steps and spatial cells of a coarse base mesh is performed in regions where a refinement indicator exceeds a prescribed tolerance. Computational procedures that sequentially traverse the tree while processing solutions on each grid in parallel, that process solutions at the same tree level in parallel, and that dynamically assign processors to nodes of the tree have been developed and applied to an example. Computational results comparing a variety of heuristic processor load balancing techniques and refinement strategies are presented.
Algorithmically scalable block preconditioner for fully implicit shallow-water equations in CAM-SE
Lott, P. Aaron; Woodward, Carol S.; Evans, Katherine J.
2014-10-19
Performing accurate and efficient numerical simulation of global atmospheric climate models is challenging due to the disparate length and time scales over which physical processes interact. Implicit solvers enable the physical system to be integrated with a time step commensurate with processes being studied. The dominant cost of an implicit time step is the ancillary linear system solves, so we have developed a preconditioner aimed at improving the efficiency of these linear system solves. Our preconditioner is based on an approximate block factorization of the linearized shallow-water equations and has been implemented within the spectral element dynamical core within themore » Community Atmospheric Model (CAM-SE). Furthermore, in this paper we discuss the development and scalability of the preconditioner for a suite of test cases with the implicit shallow-water solver within CAM-SE.« less
Accelerated molecular dynamics and equation-free methods for simulating diffusion in solids.
Deng, Jie; Zimmerman, Jonathan A.; Thompson, Aidan Patrick; Brown, William Michael; Plimpton, Steven James; Zhou, Xiao Wang; Wagner, Gregory John; Erickson, Lindsay Crowl
2011-09-01
Many of the most important and hardest-to-solve problems related to the synthesis, performance, and aging of materials involve diffusion through the material or along surfaces and interfaces. These diffusion processes are driven by motions at the atomic scale, but traditional atomistic simulation methods such as molecular dynamics are limited to very short timescales on the order of the atomic vibration period (less than a picosecond), while macroscale diffusion takes place over timescales many orders of magnitude larger. We have completed an LDRD project with the goal of developing and implementing new simulation tools to overcome this timescale problem. In particular, we have focused on two main classes of methods: accelerated molecular dynamics methods that seek to extend the timescale attainable in atomistic simulations, and so-called 'equation-free' methods that combine a fine scale atomistic description of a system with a slower, coarse scale description in order to project the system forward over long times.
Leung Shingyu; Qian Jianliang
2010-11-20
We propose the backward phase flow method to implement the Fourier-Bros-Iagolnitzer (FBI)-transform-based Eulerian Gaussian beam method for solving the Schroedinger equation in the semi-classical regime. The idea of Eulerian Gaussian beams has been first proposed in . In this paper we aim at two crucial computational issues of the Eulerian Gaussian beam method: how to carry out long-time beam propagation and how to compute beam ingredients rapidly in phase space. By virtue of the FBI transform, we address the first issue by introducing the reinitialization strategy into the Eulerian Gaussian beam framework. Essentially we reinitialize beam propagation by applying the FBI transform to wavefields at intermediate time steps when the beams become too wide. To address the second issue, inspired by the original phase flow method, we propose the backward phase flow method which allows us to compute beam ingredients rapidly. Numerical examples demonstrate the efficiency and accuracy of the proposed algorithms.
Saiki, Yoshitaka; Yamada, Michio; Chian, Abraham C.-L.; Miranda, Rodrigo A.; Rempel, Erico L.
2015-10-15
The unstable periodic orbits (UPOs) embedded in a chaotic attractor after an attractor merging crisis (MC) are classified into three subsets, and employed to reconstruct chaotic saddles in the Kuramoto-Sivashinsky equation. It is shown that in the post-MC regime, the two chaotic saddles evolved from the two coexisting chaotic attractors before crisis can be reconstructed from the UPOs embedded in the pre-MC chaotic attractors. The reconstruction also involves the detection of the mediating UPO responsible for the crisis, and the UPOs created after crisis that fill the gap regions of the chaotic saddles. We show that the gap UPOs originate from saddle-node, period-doubling, and pitchfork bifurcations inside the periodic windows in the post-MC chaotic region of the bifurcation diagram. The chaotic attractor in the post-MC regime is found to be the closure of gap UPOs.
Zhang, Yang; Chong, Edwin K. P.; Hannig, Jan; Estep, Donald
2013-01-01
We inmore » troduce a continuum modeling method to approximate a class of large wireless networks by nonlinear partial differential equations (PDEs). This method is based on the convergence of a sequence of underlying Markov chains of the network indexed by N , the number of nodes in the network. As N goes to infinity, the sequence converges to a continuum limit, which is the solution of a certain nonlinear PDE. We first describe PDE models for networks with uniformly located nodes and then generalize to networks with nonuniformly located, and possibly mobile, nodes. Based on the PDE models, we develop a method to control the transmissions in nonuniform networks so that the continuum limit is invariant under perturbations in node locations. This enables the networks to maintain stable global characteristics in the presence of varying node locations.« less
The fixed hypernode method for the solution of the many body Schroedinger equation
Pederiva, F; Kalos, M H; Reboredo, F; Bressanini, D; Guclu, D; Colletti, L; Umrigar, C J
2006-01-24
We propose a new scheme for an approximate solution of the Schroedinger equation for a many-body interacting system, based on the use of pairs of walkers. Trial wavefunctions for these pairs are combinations of standard symmetric and antisymmetric wavefunctions. The method consists in applying a fixed-node restriction in the enlarged space, and computing the energy of the antisymmetric state from the knowledge of the exact ground state energy for the symmetric state. We made two conjectures: first, that this fixed-hypernode energy is an upper bound to the true fermion energy; second that this bound would necessarily be lower than the usual fixed-node energy using the same antisymmetric trial function. The first conjecture is true, and is proved in this paper. The second is not, and numerical and analytical counterexamples are given. The question of whether the fixed-hypernode energy can be better than the usual bound remains open.
Wave chaos in the stadium: Statistical properties of short-wave solutions of the Helmholtz equation
McDonald, S.W.; Kaufman, A.N.
1988-04-15
We numerically investigate statistical properties of short-wavelength normal modes and the spectrum for the Helmholtz equation in a two-dimensional stadium-shaped region. As the geometrical optics rays within this boundary (billiards) are nonintegrable, this wave problem serves as a simple model for the study of quantum chaos. The local spatial correlation function
Shafii, Mohammad Ali Meidianti, Rahma Wildian, Fitriyani, Dian; Tongkukut, Seni H. J.; Arkundato, Artoto
2014-09-30
Theoretical analysis of integral neutron transport equation using collision probability (CP) method with quadratic flux approach has been carried out. In general, the solution of the neutron transport using the CP method is performed with the flat flux approach. In this research, the CP method is implemented in the cylindrical nuclear fuel cell with the spatial of mesh being conducted into non flat flux approach. It means that the neutron flux at any point in the nuclear fuel cell are considered different each other followed the distribution pattern of quadratic flux. The result is presented here in the form of quadratic flux that is better understanding of the real condition in the cell calculation and as a starting point to be applied in computational calculation.
Westerhof, E. Pratt, J.
2014-10-15
In the presence of electron cyclotron current drive (ECCD), the Ohm's law of single fluid magnetohydrodynamics is modified as E + v × B = η(J – J{sub EC}). This paper presents a new closure relation for the EC driven current density appearing in this modified Ohm's law. The new relation faithfully represents the nonlocal character of the EC driven current and its main origin in the Fisch-Boozer effect. The closure relation is validated on both an analytical solution of an approximated Fokker-Planck equation as well as on full bounce-averaged, quasi-linear Fokker-Planck code simulations of ECCD inside rotating magnetic islands. The new model contains the model put forward by Giruzzi et al. [Nucl. Fusion 39, 107 (1999)] in one of its limits.
Sun Zhiyuan; Yu Xin; Liu Ying; Gao Yitian
2012-12-15
We investigate the dynamics of the bound vector solitons (BVSs) for the coupled nonlinear Schroedinger equations with the nonhomogenously stochastic perturbations added on their dispersion terms. Soliton switching (besides soliton breakup) can be observed between the two components of the BVSs. Rate of the maximum switched energy (absolute values) within the fixed propagation distance (about 10 periods of the BVSs) enhances in the sense of statistics when the amplitudes of stochastic perturbations increase. Additionally, it is revealed that the BVSs with enhanced coherence are more robust against the perturbations with nonhomogenous stochasticity. Diagram describing the approximate borders of the splitting and non-splitting areas is also given. Our results might be helpful in dynamics of the BVSs with stochastic noises in nonlinear optical fibers or with stochastic quantum fluctuations in Bose-Einstein condensates.
A Singular Differential Equation Stemming from an Optimal Control Problem in Financial Economics
Brunovsky, Pavol; Cerny, Ales; Winkler, Michael
2013-10-15
We consider the ordinary differential equation x{sup 2} u'' = axu'+bu-c(u'-1){sup 2}, x Element-Of (0,x{sub 0}), with a Element-Of R, b Element-Of R , c>0 and the singular initial condition u(0)=0, which in financial economics describes optimal disposal of an asset in a market with liquidity effects. It is shown in the paper that if a+b<0 then no continuous solutions exist, whereas if a+b>0 then there are infinitely many continuous solutions with indistinguishable asymptotics near 0. Moreover, it is proved that in the latter case there is precisely one solution u corresponding to the choice x{sub 0}={infinity} which is such that 0{<=}u(x){<=}x for all x>0, and that this solution is strictly increasing and concave.
Three-dimensional nonlinear Schroedinger equation in electron-positron-ion magnetoplasmas
Sabry, R.; Moslem, W. M.; El-Shamy, E. F.; Shukla, P. K.
2011-03-15
Three-dimensional ion-acoustic envelope soliton excitations in electron-positron-ion magnetoplasmas are interpreted. This is accomplished through the derivation of three-dimensional nonlinear Schroedinger equation, where the nonlinearity is balancing with the dispersive terms. The latter contains both an external magnetic field besides the usual plasma parameter effects. Based on the balance between the nonlinearity and the dispersion terms, the regions for possible envelope solitons are investigated indicating that new regimes for modulational instability of envelope ion-acoustic waves could be obtained, which cannot exist in the unmagnetized case. This will allow us to establish additional new regimes, different from the usual unmagnetized plasma, for envelope ion-acoustic waves to propagate in multicomponent plasma that may be observed in space or astrophysics.
Callan-Symanzik equation and asymptotic freedom in the Marr-Shimamoto model
Scarfone, Leonard M.
2010-05-15
The exactly soluble nonrelativistic Marr-Shimamoto model was introduced in 1964 as an example of the Lee model with a propagator and a nontrivial vertex function. An exactly soluble relativistic version of this model, known as the Zachariasen model, has been found to be asymptotically free in terms of coupling constant renormalization at an arbitrary spacelike momentum and on the basis of exact solutions of the Gell-Mann-Low equations. This is accomplished with conventional cut-off regularization by setting up the Yukawa and Fermi coupling constants at Euclidean momenta in terms of on mass-shell couplings and then taking the asymptotic limit. In view of this background, it may be expected that an investigation of the nonrelativistic Marr-Shimamoto theory may also exhibit asymptotic freedom in view of its manifest mathematical similarity to that of the Zachariasen model. To prove this point, the present paper prefers to examine asymptotic freedom in the nonrelativistic Marr-Shimamoto theory using the powerful concepts of the renormalization group and the Callan-Symanzik equation, in conjunction with the specificity of dimensional regularization and on-shell renormalization. This approach is based on calculations of the Callan-Symanzik coefficients and determinations of the effective coupling constants. It is shown that the Marr-Shimamoto theory is asymptotically free for dimensions D<3 and for values of D>3 occurring in periodic intervals over the range of 0
Exact solutions of (n+1)-dimensional Yang-Mills equations in curved space-time
Sanchez-Monroy, J.A.; Quimbay, C.J.
2012-09-15
In the context of a semiclassical approach where vectorial gauge fields can be considered as classical fields, we obtain exact static solutions of the SU(N) Yang-Mills equations in an (n+1)-dimensional curved space-time, for the cases n=1,2,3. As an application of the results obtained for the case n=3, we consider the solutions for the anti-de Sitter and Schwarzschild metrics. We show that these solutions have a confining behavior and can be considered as a first step in the study of the corrections of the spectra of quarkonia in a curved background. Since the solutions that we find in this work are valid also for the group U(1), the case n=2 is a description of the (2+1) electrodynamics in the presence of a point charge. For this case, the solution has a confining behavior and can be considered as an application of the planar electrodynamics in a curved space-time. Finally we find that the solution for the case n=1 is invariant under a parity transformation and has the form of a linear confining solution. - Highlights: Black-Right-Pointing-Pointer We study exact static confining solutions of the SU(N) Yang-Mills equations in an (n+1)-dimensional curved space-time. Black-Right-Pointing-Pointer The solutions found are a first step in the study of the corrections on the spectra of quarkonia in a curved background. Black-Right-Pointing-Pointer A expression for the confinement potential in low dimensionality is found.
Noise propagation in hybrid models of nonlinear systems: The GinzburgLandau equation
Taverniers, Sren; Alexander, Francis J.; Tartakovsky, Daniel M.
2014-04-01
Every physical phenomenon can be described by multiple models with varying degrees of fidelity. The computational cost of higher fidelity models (e.g., molecular dynamics simulations) is invariably higher than that of their lower fidelity counterparts (e.g., a continuum model based on differential equations). While the former might not be suitable for large-scale simulations, the latter are not universally valid. Hybrid algorithms provide a compromise between the computational efficiency of a coarse-scale model and the representational accuracy of a fine-scale description. This is achieved by conducting a fine-scale computation in subdomains where it is absolutely required (e.g., due to a local breakdown of a continuum model) and coupling it with a coarse-scale computation in the rest of a computational domain. We analyze the effects of random fluctuations generated by the fine-scale component of a nonlinear hybrid on the hybrid's overall accuracy and stability. Two variants of the time-dependent GinzburgLandau equation (GLE) and their discrete representations provided by a nearest-neighbor Ising model serve as a computational testbed. Our analysis shows that coupling these descriptions in a one-dimensional simulation leads to erroneous results. Adding a random source term to the GLE provides accurate prediction of the mean behavior of the quantity of interest (magnetization). It also allows the two GLE variants to correctly capture the strength of the microscale fluctuations. Our work demonstrates the importance of fine-scale noise in hybrid simulations, and suggests the need for replacing an otherwise deterministic coarse-scale component of the hybrid with its stochastic counterpart.
Rare-event Simulation for Stochastic Korteweg-de Vries Equation
Xu, Gongjun; Lin, Guang; Liu, Jingchen
2014-01-01
An asymptotic analysis of the tail probabilities for the dynamics of a soliton wave $U(x,t)$ under a stochastic time-dependent force is developed. The dynamics of the soliton wave $U(x,t)$ is described by the Korteweg-de Vries Equation with homogeneous Dirichlet boundary conditions under a stochastic time-dependent force, which is modeled as a time-dependent Gaussian noise with amplitude $\\epsilon$. The tail probability we considered is $w(b) :=P(\\sup_{t\\in [0,T]} U(x,t) > b ),$ as $b\\rightarrow \\infty,$ for some constant $T>0$ and a fixed $x$, which can be interpreted as tail probability of the amplitude of water wave on shallow surface of a fluid or long internal wave in a density-stratified ocean. Our goal is to characterize the asymptotic behaviors of $w(b)$ and to evaluate the tail probability of the event that the soliton wave exceeds a certain threshold value under a random force term. Such rare-event calculation of $w(b)$ is very useful for fast estimation of the risk of the potential damage that could caused by the water wave in a density-stratified ocean modeled by the stochastic KdV equation. In this work, the asymptotic approximation of the probability that the soliton wave exceeds a high-level $b$ is derived. In addition, we develop a provably efficient rare-event simulation algorithm to compute $w(b)$. The efficiency of the algorithm only requires mild conditions and therefore it is applicable to a general class of Gaussian processes and many diverse applications.
Super-Grid Modeling of the Elastic Wave Equation in Semi-Bounded Domains
Petersson, N. Anders; Sjögreen, Björn
2014-10-01
We develop a super-grid modeling technique for solving the elastic wave equation in semi-bounded two- and three-dimensional spatial domains. In this method, waves are slowed down and dissipated in sponge layers near the far-field boundaries. Mathematically, this is equivalent to a coordinate mapping that transforms a very large physical domain to a significantly smaller computational domain, where the elastic wave equation is solved numerically on a regular grid. To damp out waves that become poorly resolved because of the coordinate mapping, a high order artificial dissipation operator is added in layers near the boundaries of the computational domain. We prove by energy estimates that the super-grid modeling leads to a stable numerical method with decreasing energy, which is valid for heterogeneous material properties and a free surface boundary condition on one side of the domain. Our spatial discretization is based on a fourth order accurate finite difference method, which satisfies the principle of summation by parts. We show that the discrete energy estimate holds also when a centered finite difference stencil is combined with homogeneous Dirichlet conditions at several ghost points outside of the far-field boundaries. Therefore, the coefficients in the finite difference stencils need only be boundary modified near the free surface. This allows for improved computational efficiency and significant simplifications of the implementation of the proposed method in multi-dimensional domains. Numerical experiments in three space dimensions show that the modeling error from truncating the domain can be made very small by choosing a sufficiently wide super-grid damping layer. The numerical accuracy is first evaluated against analytical solutions of Lamb’s problem, where fourth order accuracy is observed with a sixth order artificial dissipation. We then use successive grid refinements to study the numerical accuracy in the more
A Bloch-Torrey Equation for Diffusion in a Deforming Media
Rohmer, Damien; Gullberg, Grant T.
2006-12-29
Diffusion Tensor Magnetic Resonance Imaging (DTMRI)technique enables the measurement of diffusion parameters and therefore,informs on the structure of the biological tissue. This technique isapplied with success to the static organs such as brain. However, thediffusion measurement on the dynamically deformable organs such as thein-vivo heart is a complex problem that has however a great potential inthe measurement of cardiac health. In order to understand the behavior ofthe Magnetic Resonance (MR)signal in a deforming media, the Bloch-Torreyequation that leads the MR behavior is expressed in general curvilinearcoordinates. These coordinates enable to follow the heart geometry anddeformations through time. The equation is finally discretized andpresented in a numerical formulation using implicit methods, in order toget a stable scheme that can be applied to any smooth deformations.Diffusion process enables the link between the macroscopic behavior ofmolecules and themicroscopic structure in which they evolve. Themeasurement of diffusion in biological tissues is therefore of majorimportance in understanding the complex underlying structure that cannotbe studied directly. The Diffusion Tensor Magnetic ResonanceImaging(DTMRI) technique enables the measurement of diffusion parametersand therefore provides information on the structure of the biologicaltissue. This technique has been applied with success to static organssuch as the brain. However, diffusion measurement of dynamicallydeformable organs such as the in-vivo heart remains a complex problem,which holds great potential in determining cardiac health. In order tounderstand the behavior of the magnetic resonance (MR) signal in adeforming media, the Bloch-Torrey equation that defines the MR behavioris expressed in general curvilinear coordinates. These coordinates enableus to follow the heart geometry and deformations through time. Theequation is finally discretized and presented in a numerical formulationusing
Higher-order time integration of Coulomb collisions in a plasma using Langevin equations
Dimits, A.M.; Cohen, B.I.; Caflisch, R.E.; Rosin, M.S.; Ricketson, L.F.
2013-06-01
The extension of Langevin-equation Monte-Carlo algorithms for Coulomb collisions from the conventional EulerMaruyama time integration to the next higher order of accuracy, the Milstein scheme, has been developed, implemented, and tested. This extension proceeds via a formulation of the angular scattering directly as stochastic differential equations in the fixed-frame spherical-coordinate velocity variables. Results from the numerical implementation show the expected improvement [O(?t) vs. O(?t{sup 1/2})] in the strong convergence rate both for the speed |v| and angular components of the scattering. An important result is that this improved convergence is achieved for the angular component of the scattering if and only if the area-integral terms in the Milstein scheme are included. The resulting Milstein scheme is of value as a step towards algorithms with both improved accuracy and efficiency. These include both algorithms with improved convergence in the averages (weak convergence) and multi-time-level schemes. The latter have been shown to give a greatly reduced cost for a given overall error level when compared with conventional Monte-Carlo schemes, and their performance is improved considerably when the Milstein algorithm is used for the underlying time advance versus the EulerMaruyama algorithm. A new method for sampling the area integrals is given which is a simplification of an earlier direct method and which retains high accuracy. This method, while being useful in its own right because of its relative simplicity, is also expected to considerably reduce the computational requirements for the direct conditional sampling of the area integrals that is needed for adaptive strong integration.
Analytical and Numerical Solutions of Generalized Fokker-Planck Equations - Final Report
Prinja, Anil K.
2000-12-31
The overall goal of this project was to develop advanced theoretical and numerical techniques to quantitatively describe the spreading of a collimated beam of charged particles in space, in angle, and in energy, as a result of small deflection, small energy transfer Coulomb collisions with the target nuclei and electrons. Such beams arise in several applications of great interest in nuclear engineering, and include electron and ion radiotherapy, ion beam modification of materials, accelerator transmutation of waste, and accelerator production of tritium, to name some important candidates. These applications present unique and difficult modeling challenges, but from the outset are amenable to the language of ''transport theory'', which is very familiar to nuclear engineers and considerably less-so to physicists and material scientists. Thus, our approach has been to adopt a fundamental description based on transport equations, but the forward peakedness associated with charged particle interactions precludes a direct application of solution methods developed for neutral particle transport. Unique problem formulations and solution techniques are necessary to describe the transport and interaction of charged particles. In particular, we have developed the Generalized Fokker-Planck (GFP) approach to describe the angular and radial spreading of a collimated beam and a renormalized transport model to describe the energy-loss straggling of an initially monoenergetic distribution. Both analytic and numerical solutions have been investigated and in particular novel finite element numerical methods have been developed. In the first phase of the project, asymptotic methods were used to develop closed form solutions to the GFP equation for different orders of expansion, and was described in a previous progress report. In this final report we present a detailed description of (i) a novel energy straggling model based on a Fokker-Planck approximation but which is adapted for a
(U) Equation of State and Compaction Modeling for CeO_{2}
Fredenburg, David A.; Chisolm, Eric D.
2014-10-20
Recent efforts have focused on developing a solid-liquid and three-phase equation of state (EOS) for CeO_{2}, while parallel experimental efforts have focused on obtaining high-fidelity Hugoniot measurements on CeO_{2} in the porous state. The current work examines the robustness of two CeO_{2} SESAME equations of state, a solid-liquid EOS, 96170, and a three-phase EOS, 96171, by validating the EOS against a suite of high-pressure shock compression experiments on initially porous CeO_{2}. At lower pressures compaction is considered by incorporating a two-term exponential form of the P-compaction model, using three separate definitions for ?(P). Simulations are executed spanning the partially compacted and fully compacted EOS regimes over the pressure range 0.5 - 109 GPa. Comparison of calculated Hugoniot results with those obtained experimentally indicate good agreement for all definitions of ?(P) with both the solid-liquid and three-phase EOS in the low-pressure compaction regime. At higher pressures the three-phase EOS does a better job at predicting the measured Hugoniot response, though at the highest pressures EOS 96171 predicts a less compliant response than is observed experimentally. Measured material velocity profiles of the shock-wave after it has transmitted through the powder are also compared with those simulated using with solid-liquid and three-phase EOS. Profiles lend insight into limits of the current experimental design, as well as the threshold conditions for the shock-induced phase transition in CeO_{2}.
Moon, Seoksu; Bae, Choongsik; Abo-Serie, Essam
2010-02-15
Liquid film thickness inside two swirl injectors for direct injection (DI) gasoline engines was measured at different injection pressure conditions ranging from 2.0 to 7.0 MPa and then previous analytical and empirical equations were examined from the experimental results. Based on the evaluation, a new equation for the liquid film thickness inside the swirl injectors was introduced. A direct photography using two real scale transparent nozzles and a pulsed light source was employed to measure the liquid film thickness inside the swirl injectors. The error in the liquid film thickness measurement, generated from different refractive indices among transparent nozzle, fuel and air, was estimated and corrected based on the geometric optics. Two injectors which have different nozzle diameter and nozzle length were applied to introduce a more general empirical equation for the liquid film thickness inside the pressure swirl injectors. The results showed that the liquid film thickness remains constant at the injection pressures for direct injection gasoline engines while the ratio of nozzle length to nozzle diameter (L/D) shows significant effect on the liquid film thickness. The previously introduced analytical and empirical equations for relatively low injection pressure swirl injectors overestimated the effect of injection pressure at the operating range of high pressure swirl injectors and, in addition, the effect of L/D ratio and swirler geometry was rarely considered. A new empirical equation was suggested based on the experimental results by taking into account the effects of fuel properties, nozzle diameter, nozzle length and swirler geometry. (author)
Lehtikangas, O.; Tarvainen, T.; Kim, A.D.; Arridge, S.R.
2015-02-01
The radiative transport equation can be used as a light transport model in a medium with scattering particles, such as biological tissues. In the radiative transport equation, the refractive index is assumed to be constant within the medium. However, in biomedical media, changes in the refractive index can occur between different tissue types. In this work, light propagation in a medium with piece-wise constant refractive index is considered. Light propagation in each sub-domain with a constant refractive index is modeled using the radiative transport equation and the equations are coupled using boundary conditions describing Fresnel reflection and refraction phenomena on the interfaces between the sub-domains. The resulting coupled system of radiative transport equations is numerically solved using a finite element method. The approach is tested with simulations. The results show that this coupled system describes light propagation accurately through comparison with the Monte Carlo method. It is also shown that neglecting the internal changes of the refractive index can lead to erroneous boundary measurements of scattered light.
Zhang, Yu-Juan; Zhao, Dun; Luo, Hong-Gang
2014-11-15
We consider a wide class of integrable nonautonomous nonlinear integro-differential Schrödinger equation which contains the models for the soliton management in Bose–Einstein condensates, nonlinear optics, and inhomogeneous Heisenberg spin chain. With the help of the nonisospectral AKNS hierarchy, we obtain the N-fold Darboux transformation and the N-fold soliton-like solutions for the equation. The soliton management, especially the synchronized dispersive and nonlinear management in optical fibers is discussed. It is found that in the situation without external potential, the synchronized dispersive and nonlinear management can keep the integrability of the nonlinear Schrödinger equation; this suggests that in optical fibers, the synchronized dispersive and nonlinear management can control and maintain the propagation of a multi-soliton. - Highlights: • We consider a unified model for soliton management by an integrable integro-differential Schrödinger equation. • Using Lax pair, the N-fold Darboux transformation for the equation is presented. • The multi-soliton management is considered. • The synchronized dispersive and nonlinear management is suggested.
Rota-Baxter operators on sl (2,C) and solutions of the classical Yang-Baxter equation
Pei, Jun; Bai, Chengming; Guo, Li
2014-02-15
We explicitly determine all Rota-Baxter operators (of weight zero) on sl (2,C) under the Cartan-Weyl basis. For the skew-symmetric operators, we give the corresponding skew-symmetric solutions of the classical Yang-Baxter equation in sl (2,C), confirming the related study by Semenov-Tian-Shansky. In general, these Rota-Baxter operators give a family of solutions of the classical Yang-Baxter equation in the six-dimensional Lie algebra sl (2,C)⋉{sub ad{sup *}} sl (2,C){sup *}. They also give rise to three-dimensional pre-Lie algebras which in turn yield solutions of the classical Yang-Baxter equation in other six-dimensional Lie algebras.
Shadid, J.N.; Tuminaro, R.S.; Walker, H.F.
1997-02-01
The solution of the governing steady transport equations for momentum, heat and mass transfer in flowing fluids can be very difficult. These difficulties arise from the nonlinear, coupled, nonsymmetric nature of the system of algebraic equations that results from spatial discretization of the PDEs. In this manuscript the authors focus on evaluating a proposed nonlinear solution method based on an inexact Newton method with backtracking. In this context they use a particular spatial discretization based on a pressure stabilized Petrov-Galerkin finite element formulation of the low Mach number Navier-Stokes equations with heat and mass transport. The discussion considers computational efficiency, robustness and some implementation issues related to the proposed nonlinear solution scheme. Computational results are presented for several challenging CFD benchmark problems as well as two large scale 3D flow simulations.
Heydari, M.H.; Hooshmandasl, M.R.; Cattani, C.; Maalek Ghaini, F.M.
2015-02-15
Because of the nonlinearity, closed-form solutions of many important stochastic functional equations are virtually impossible to obtain. Thus, numerical solutions are a viable alternative. In this paper, a new computational method based on the generalized hat basis functions together with their stochastic operational matrix of Itô-integration is proposed for solving nonlinear stochastic Itô integral equations in large intervals. In the proposed method, a new technique for computing nonlinear terms in such problems is presented. The main advantage of the proposed method is that it transforms problems under consideration into nonlinear systems of algebraic equations which can be simply solved. Error analysis of the proposed method is investigated and also the efficiency of this method is shown on some concrete examples. The obtained results reveal that the proposed method is very accurate and efficient. As two useful applications, the proposed method is applied to obtain approximate solutions of the stochastic population growth models and stochastic pendulum problem.
Time-fractional KdV equation for plasma of two different temperature electrons and stationary ion
El-Wakil, S. A.; Abulwafa, Essam M.; El-Shewy, E. K.; Mahmoud, Abeer A.
2011-09-15
Using the time-fractional KdV equation, the nonlinear properties of small but finite amplitude electron-acoustic solitary waves are studied in a homogeneous system of unmagnetized collisionless plasma. This plasma consists of cold electrons fluid, non-thermal hot electrons, and stationary ions. Employing the reductive perturbation technique and the Euler-Lagrange equation, the time-fractional KdV equation is derived and it is solved using variational method. It is found that the time-fractional parameter significantly changes the soliton amplitude of the electron-acoustic solitary waves. The results are compared with the structures of the broadband electrostatic noise observed in the dayside auroral zone.
McCorquodale, Peter; Ullrich, Paul A.; Johansen, Hans; Colella, Phillip
2015-06-16
We present a high-order finite-volume approach for solving the shallow-water equations on the sphere, using multiblock grids on the cubed-sphere. This approach combines a Runge--Kutta time discretization with a fourth-order accurate spatial discretization, and includes adaptive mesh refinement and refinement in time. Results of tests show fourth-order convergence for the shallow-water equations as well as for advection in a highly deformational flow. Hierarchical adaptive mesh refinement allows solution error to be achieved that is comparable to that obtained with uniform resolution of the most refined level of the hierarchy, but with many fewer operations.
Pilati, S.; Giorgini, S.; Sakkos, K.; Boronat, J.; Casulleras, J.
2006-10-15
By using exact path-integral Monte Carlo methods we calculate the equation of state of an interacting Bose gas as a function of temperature both below and above the superfluid transition. The universal character of the equation of state for dilute systems and low temperatures is investigated by modeling the interatomic interactions using different repulsive potentials corresponding to the same s-wave scattering length. The results obtained for the energy and the pressure are compared to the virial expansion for temperatures larger than the critical temperature. At very low temperatures we find agreement with the ground-state energy calculated using the diffusion Monte Carlo method.
McCorquodale, Peter; Ullrich, Paul; Johansen, Hans; Colella, Phillip
2015-09-04
We present a high-order finite-volume approach for solving the shallow-water equations on the sphere, using multiblock grids on the cubed-sphere. This approach combines a Runge--Kutta time discretization with a fourth-order accurate spatial discretization, and includes adaptive mesh refinement and refinement in time. Results of tests show fourth-order convergence for the shallow-water equations as well as for advection in a highly deformational flow. Hierarchical adaptive mesh refinement allows solution error to be achieved that is comparable to that obtained with uniform resolution of the most refined level of the hierarchy, but with many fewer operations.
Pusa, M.; Leppaenen, J.
2012-07-01
The Chebyshev Rational Approximation Method (CRAM) has been recently introduced by the authors for solving the burnup equations with excellent results. This method has been shown to be capable of simultaneously solving an entire burnup system with thousands of nuclides both accurately and efficiently. The method was prompted by an analysis of the spectral properties of burnup matrices and it can be characterized as the best rational approximation on the negative real axis. The coefficients of the rational approximation are fixed and have been reported for various approximation orders. In addition to these coefficients, implementing the method only requires a linear solver. This paper describes an efficient method for solving the linear systems associated with the CRAM approximation. The introduced direct method is based on sparse Gaussian elimination where the sparsity pattern of the resulting upper triangular matrix is determined before the numerical elimination phase. The stability of the proposed Gaussian elimination method is discussed based on considering the numerical properties of burnup matrices. Suitable algorithms are presented for computing the symbolic factorization and numerical elimination in order to facilitate the implementation of CRAM and its adoption into routine use. The accuracy and efficiency of the described technique are demonstrated by computing the CRAM approximations for a large test case with over 1600 nuclides. (authors)
Ono, M.; Wada, K.; Kitada, T.
2012-07-01
Simplified treatment of resonance elastic scattering model considering thermal motion of heavy nuclides and the energy dependence of the resonance cross section was implemented into NJOY [1]. In order to solve deterministic slowing down equation considering the effect of up-scattering without iterative calculations, scattering kernel for heavy nuclides is pre-calculated by the formula derived by Ouisloumen and Sanchez [2], and neutron spectrum in up-scattering term is expressed by NR approximation. To check the verification of the simplified treatment, the treatment is applied to U-238 for the energy range from 4 eV to 200 eV. Calculated multi-group capture cross section of U-238 is greater than that of conventional method and the increase of the capture cross sections is remarkable as the temperature becomes high. Therefore Doppler coefficient calculated in UO{sub 2} fuel pin is calculated more negative value than that on conventional method. The impact on Doppler coefficient is equivalent to the results of exact treatment of resonance elastic scattering reported in previous studies [2-7]. The agreement supports the validation of the simplified treatment and therefore this treatment is applied for other heavy nuclide to evaluate the Doppler coefficient in MOX fuel. The result shows that the impact of considering thermal agitation in resonance scattering in Doppler coefficient comes mainly from U-238 and that of other heavy nuclides such as Pu-239, 240 etc. is not comparable in MOX fuel. (authors)
Equation of state and contact of a strongly interacting Bose gas in the normal state
Liu, Xia -Ji; Mulkerin, Brendan; He, Lianyi; Hu, Hui
2015-04-27
Here, we theoretically investigate the equation of state and Tan's contact of a nondegenerate three-dimensional Bose gas near a broad Feshbach resonance, within the framework of large-N expansion. Our results agree with the path-integral Monte Carlo simulations in the weak-coupling limit and recover the second-order virial expansion predictions at strong interactions and high temperatures. At resonance, we find that the chemical potential and energy are significantly enhanced by the strong repulsion, while the entropy does not change significantly. With increasing temperature, the two-body contact initially increases and then decreases like T–1 at large temperature, and therefore exhibits a peak structuremore » at about 4Tc0, where Tc0 is the Bose-Einstein condensation temperature of an ideal, noninteracting Bose gas. These results may be experimentally examined with a nondegenerate unitary Bose gas, where the three-body recombination rate is substantially reduced. In particular, the nonmonotonic temperature dependence of the two-body contact could be inferred from the momentum distribution measurement.« less
Itasse, Maxime Brazier, Jean-Philippe Léon, Olivier Casalis, Grégoire
2015-08-15
Nonlinear evolution of disturbances in an axisymmetric, high subsonic, high Reynolds number hot jet with forced eigenmodes is studied using the Parabolized Stability Equations (PSE) approach to understand how modes interact with one another. Both frequency and azimuthal harmonic interactions are analyzed by setting up one or two modes at higher initial amplitudes and various phases. While single mode excitation leads to harmonic growth and jet noise amplification, controlling the evolution of a specific mode has been made possible by forcing two modes (m{sub 1}, n{sub 1}), (m{sub 2}, n{sub 2}), such that the difference in azimuth and in frequency matches the desired “target” mode (m{sub 1} − m{sub 2}, n{sub 1} − n{sub 2}). A careful setup of the initial amplitudes and phases of the forced modes, defined as the “killer” modes, has allowed the minimizing of the initially dominant instability in the near pressure field, as well as its estimated radiated noise with a 15 dB loss. Although an increase of the overall sound pressure has been found in the range of azimuth and frequency analyzed, the present paper reveals the possibility to make the initially dominant instability ineffective acoustically using nonlinear interactions with forced eigenmodes.
An equation of state for partially ionized plasmas: The Coulomb contribution to the free energy
Kilcrease, D. P.; Colgan, J.; Hakel, P.; Fontes, C. J.; Sherrill, M. E.
2015-06-20
We have previously developed an equation of state (EOS) model called ChemEOS (Hakel and Kilcrease, Atomic Processes in Plasmas, Eds., J. Cohen et al., AIP, 2004) for a plasma of interacting ions, atoms and electrons. It is based on a chemical picture of the plasma and is derived from an expression for the Helmholtz free energy of the interacting species. All other equilibrium thermodynamic quantities are then obtained by minimizing this free energy subject to constraints, thus leading to a thermodynamically consistent EOS. The contribution to this free energy from the Coulomb interactions among the particles is treated using the method of Chabrier and Potekhin (Phys. Rev. E 58, 4941 (1998)) which we have adapted for partially ionized plasmas. This treatment is further examined and is found to give rise to unphysical behavior for various elements at certain values of the density and temperature where the Coulomb coupling begins to become significant and the atoms are partially ionized. We examine the source of this unphysical behavior and suggest corrections that produce acceptable results. The sensitivity of the thermodynamic properties and frequency-dependent opacity of iron is examined with and without these corrections. Lastly, the corrected EOS is used to determine the fractional ion populations and level populations for a new generation of OPLIB low-Z opacity tables currently being prepared at Los Alamos National Laboratory with the ATOMIC code.
Plasma-accelerated flyer-plates for equation of state studies
Fratanduono, D. E.; Smith, R. F.; Eggert, J. H.; Braun, D. G.; Collins, G. W.; Boehly, T. R.
2012-07-15
We report on a new technique to accelerate flyer-plates to high velocities ({approx}5 km/s). In this work, a strong shock is created through direct laser ablation of a thin polyimide foil. Subsequent shock breakout of that foil results in the generation of a plasma characterized by a smoothly increasing density gradient and a strong forward momentum. Stagnation of this plasma onto an aluminum foil and the resultant momentum transfer accelerates a thin aluminum flyer-plate. The aluminum flyer-plate is then accelerated to a peak velocity of {approx}5 km/s before impact with a transparent lithium fluoride (LiF) window. Simulations of the stagnating plasma ramp compression and wave reverberations within the flyer-plate suggest that the temperature at the flyer-plate impact surface is elevated by less than 50 Degree-Sign C. Optical velocimetry is used to measure the flyer-plate velocity and impact conditions enabling the shocked refractive index of LiF to be determined. The results presented here are in agreement with conventional flyer-plate measurements validating the use of plasma-accelerated flyer-plates for equation of state and impact studies.
Verification of conventional equations of state for tantalum under quasi-isentropic compression
Binqiang, Luo; Guiji, Wang; Jianjun, Mo; Hongpin, Zhang; Fuli, Tan; Jianheng, Zhao; Cangli, Liu; Chengwei, Sun
2014-11-21
Shock Hugoniot data have been widely used to calibrate analytic equations of state (EOSs) of condensed matter at high pressures. However, the suitability of particular analytic EOSs under off-Hugoniot states has not been sufficiently verified using experimental data. We have conducted quasi-isentropic compression experiments (ICEs) of tantalum using the compact pulsed power generator CQ-4, and explored the relation of longitudinal stress versus volume of tantalum under quasi-isentropic compression using backward integration and characteristic inverse methods. By subtracting the deviatoric stress and additional pressure caused by irreversible plastic dissipation, the isentropic pressure can be extracted from the longitudinal stress. Several theoretical isentropes are deduced from analytic EOSs and compared with ICE results to validate the suitability of these analytic EOSs in isentropic compression states. The comparisons show that the Gruneisen EOS with Gruneisen Gamma proportional to volume is accurate, regardless whether the Hugoniot or isentrope is used as the reference line. The Vinet EOS yields better accuracy in isentropic compression states. Theoretical isentropes derived from Tillotson, PUFF, and Birch-Murnaghan EOSs well agree with the experimental isentrope in the range of 0–100 GPa, but deviate gradually with pressure increasing further.
Entropy vs. energy waveform processing: A comparison based on the heat equation
Hughes, Michael S.; McCarthy, John E.; Bruillard, Paul J.; Marsh, Jon N.; Wickline, Samuel A.
2015-05-25
Virtually all modern imaging devices collect electromagnetic or acoustic waves and use the energy carried by these waves to determine pixel values to create what is basically an “energy” picture. However, waves also carry “information”, as quantified by some form of entropy, and this may also be used to produce an “information” image. Numerous published studies have demonstrated the advantages of entropy, or “information imaging”, over conventional methods. The most sensitive information measure appears to be the joint entropy of the collected wave and a reference signal. The sensitivity of repeated experimental observations of a slowly-changing quantity may be defined as the mean variation (i.e., observed change) divided by mean variance (i.e., noise). Wiener integration permits computation of the required mean values and variances as solutions to the heat equation, permitting estimation of their relative magnitudes. There always exists a reference, such that joint entropy has larger variation and smaller variance than the corresponding quantities for signal energy, matching observations of several studies. Moreover, a general prescription for finding an “optimal” reference for the joint entropy emerges, which also has been validated in several studies.
Equation of state of bcc-Mo by static volume compression to 410 GPa
Akahama, Yuichi; Hirao, Naohisa; Ohishi, Yasuo; Singh, Anil K.
2014-12-14
Unit cell volumes of Mo and Pt have been measured simultaneously to ≈400 GPa by x-ray powder diffraction using a diamond anvil cell and synchrotron radiation source. The body-centered cubic (bcc) phase of Mo was found to be stable up to 410 GPa. The equation of state (EOS) of bcc-Mo was determined on the basis of Pt pressure scale. A fit of Vinet EOS to the volume compression data gave K{sub 0} = 262.3(4.6) GPa, K{sub 0}′ = 4.55(16) with one atmosphere atomic volume V{sub 0} = 31.155(24) A{sup 3}. The EOS was in good agreement with the previous ultrasonic data within pressure difference of 2.5%–3.3% in the multimegabar range, though the EOS of Mo proposed from a shock compression experiment gave lower pressure by 7.2%–11.3% than the present EOS. The agreement would suggest that the Pt pressure scale provides an accurate pressure value in an ultra-high pressure range.
Tanimura, Yoshitaka
2014-07-28
For a system strongly coupled to a heat bath, the quantum coherence of the system and the heat bath plays an important role in the system dynamics. This is particularly true in the case of non-Markovian noise. We rigorously investigate the influence of system-bath coherence by deriving the reduced hierarchal equations of motion (HEOM), not only in real time, but also in imaginary time, which represents an inverse temperature. It is shown that the HEOM in real time obtained when we include the system-bath coherence of the initial thermal equilibrium state possess the same form as those obtained from a factorized initial state. We find that the difference in behavior of systems treated in these two manners results from the difference in initial conditions of the HEOM elements, which are defined in path integral form. We also derive HEOM along the imaginary time path to obtain the thermal equilibrium state of a system strongly coupled to a non-Markovian bath. Then, we show that the steady state hierarchy elements calculated from the real-time HEOM can be expressed in terms of the hierarchy elements calculated from the imaginary-time HEOM. Moreover, we find that the imaginary-time HEOM allow us to evaluate a number of thermodynamic variables, including the free energy, entropy, internal energy, heat capacity, and susceptibility. The expectation values of the system energy and system-bath interaction energy in the thermal equilibrium state are also evaluated.
Detecting features in the dark energy equation of state: a wavelet approach
Hojjati, Alireza; Pogosian, Levon; Zhao, Gong-Bo E-mail: levon@sfu.ca
2010-04-01
We study the utility of wavelets for detecting the redshift evolution of the dark energy equation of state w(z) from the combination of supernovae (SNe), CMB and BAO data. We show that local features in w, such as bumps, can be detected efficiently using wavelets. To demonstrate, we first generate a mock supernovae data sample for a SNAP-like survey with a bump feature in w(z) hidden in, then successfully discover it by performing a blind wavelet analysis. We also apply our method to analyze the recently released ''Constitution'' SNe data, combined with WMAP and BAO from SDSS, and find weak hints of dark energy dynamics. Namely, we find that models with w(z) < −1 for 0.2 < z < 0.5, and w(z) > −1 for 0.5 < z < 1, are mildly favored at 95% confidence level. This is in good agreement with several recent studies using other methods, such as redshift binning with principal component analysis (PCA) (e.g. Zhao and Zhang, arXiv: 0908.1568)
Hussain, Ibrar; Qadir, Asghar; Mahomed, F. M.
2009-06-15
Since gravitational wave spacetimes are time-varying vacuum solutions of Einstein's field equations, there is no unambiguous means to define their energy content. However, Weber and Wheeler had demonstrated that they do impart energy to test particles. There have been various proposals to define the energy content, but they have not met with great success. Here we propose a definition using 'slightly broken' Noether symmetries. We check whether this definition is physically acceptable. The procedure adopted is to appeal to 'approximate symmetries' as defined in Lie analysis and use them in the limit of the exact symmetry holding. A problem is noted with the use of the proposal for plane-fronted gravitational waves. To attain a better understanding of the implications of this proposal we also use an artificially constructed time-varying nonvacuum metric and evaluate its Weyl and stress-energy tensors so as to obtain the gravitational and matter components separately and compare them with the energy content obtained by our proposal. The procedure is also used for cylindrical gravitational wave solutions. The usefulness of the definition is demonstrated by the fact that it leads to a result on whether gravitational waves suffer self-damping.
Techniques for Equation-of-State Measurements on a Three-Stage Light-Gas Gun
REINHART,WILLIAM D.; CHHABILDAS,LALIT C.; THORNHILL,T.G.
2000-09-14
Understanding high pressure behavior materials is necessary in order to address the physical processes associated with hypervelocity impact events related to space science applications including orbital debris impact and impact lethality. Until recently the highest-pressure states in materials have been achieved from impact loading techniques from two-stage light gas guns with velocity limitations of approximately 81cm/s. In this paper, techniques that are being developed and implemented to obtain the needed shock loading parameters (Hugoniot states) for material characterization studies, namely shock velocity and particle velocity, will be described at impact velocities up to 11 kds. The determination of equation-of-state (EOS) and thermodynamic states of materials in the regimes of extreme high pressures is now attainable utilizing the three-stage launcher. What is new in this report is that these techniques are being implemented for use at engagement velocities never before attained utilizing two-stage light-gas gun technology. The design and test methodologies used to determine Hugoniot states are described in this paper.
Equations of state of ice VI and ice VII at high pressure and high temperature
Bezacier, Lucile; Hanfland, Michael; Journaux, Baptiste; Perrillat, Jean-Philippe; Cardon, Herv; Daniel, Isabelle
2014-09-14
High-pressure H{sub 2}O polymorphs among which ice VI and ice VII are abundant in the interiors of large icy satellites and exo-planets. Knowledge of the elastic properties of these pure H{sub 2}O ices at high-temperature and high-pressure is thus crucial to decipher the internal structure of icy bodies. In this study we assess for the first time the pressure-volume-temperature (PVT) relations of both polycrystalline pure ice VI and ice VII at high pressures and temperatures from 1 to 9 GPa and 300 to 450 K, respectively, by using in situ synchrotron X-ray diffraction. The PVT data are adjusted to a second-order Birch-Murnaghan equation of state and give V{sub 0} = 14.17(2) cm{sup 3}?mol{sup ?1}, K{sub 0} = 14.05(23) GPa, and ?{sub 0} = 14.6(14) 10{sup ?5} K{sup ?1} for ice VI and V{sub 0} = 12.49(1) cm{sup 3}?mol{sup ?1}, K{sub 0} = 20.15(16) GPa, and ?{sub 0} = 11.6(5) 10{sup ?5} K{sup ?1} for ice VII.
Vortex nucleation in a dissipative variant of the nonlinear Schrödinger equation under rotation
Carretero-González, R.; Kevrekidis, P. G.; Kolokolnikov, T.
2016-03-01
In this work, we motivate and explore the dynamics of a dissipative variant of the nonlinear Schrödinger equation under the impact of external rotation. As in the well established Hamiltonian case, the rotation gives rise to the formation of vortices. We show, however, that the most unstable mode leading to this instability scales with an appropriate power of the chemical potential μ of the system, increasing proportionally to μ2/3. The precise form of the relevant formula, obtained through our asymptotic analysis, provides the most unstable mode as a function of the atomic density and the trap strength. We show howmore » these unstable modes typically nucleate a large number of vortices in the periphery of the atomic cloud. However, through a pattern selection mechanism, prompted by symmetry-breaking, only few isolated vortices are pulled in sequentially from the periphery towards the bulk of the cloud resulting in highly symmetric stable vortex configurations with far fewer vortices than the original unstable mode. We conclude that these results may be of relevance to the experimentally tractable realm of finite temperature atomic condensates.« less
Equation of State Model Quality Study for Ti and Ti64.
Wills, Ann Elisabet; Sanchez, Jason James
2015-02-01
Titanium and the titanium alloy Ti64 (6% aluminum, 4% vanadium and the balance ti- tanium) are materials used in many technologically important applications. To be able to computationally investigate and design these applications, accurate Equations of State (EOS) are needed and in many cases also additional constitutive relations. This report describes what data is available for constructing EOS for these two materials, and also describes some references giving data for stress-strain constitutive models. We also give some suggestions for projects to achieve improved EOS and constitutive models. In an appendix, we present a study of the 'cloud formation' issue observed in the ALEGRA code. This issue was one of the motivating factors for this literature search of available data for constructing improved EOS for Ti and Ti64. However, the study shows that the cloud formation issue is only marginally connected to the quality of the EOS, and, in fact, is a physical behavior of the system in question. We give some suggestions for settings in, and improvements of, the ALEGRA code to address this computational di culty.
Expansion solution of Laplace`s equation: Technique and application to hollow beam gun design
Jackson, R.H.; Taccetti, J.M.
1996-12-31
This paper presents a flexible algorithm for the general calculation of expansion solutions to Laplace`s equation. The limiting factor in application of the technique is shown to be series truncation error and not errors in calculating numerical derivatives. Application of the algorithm to the accurate computation of arbitrary magnetic fields in cylindrical geometry from on-axis or coil data will be presented. For an ideal current loop, magnetic field accuracies of better than 0.01% of the exact elliptic integral solution can be obtained out to approximately 70--80% of the loop radius. Accuracy improves dramatically for radii closer to the axis. Results also is shown for thin current disks, thin solenoids and thick coils. Other aspects of the technique is illustrated by application to the design of a coil system for a hollow beam electron gun. With some reasonable assumptions about the overlay of the electron trajectories and the magnetic flux contours, it is possible to generate an estimate for the on-axis profile of the gun magnetic field. The expansion technique can then be applied to calculate the off-axis field and its impact on the trajectories without assuming any particular coil system. The initial estimate can then be refined and retested. Finally, an optimization technique is used to develop a coil system which closely reproduces the refined field. The results of carrying out this set of calculations on a 150 kV, 20 A hollow electron gun design for an FEL experiment is reported.
Zhou, Zhennan
2014-09-01
In this paper, we approximate the semi-classical Schrdinger equation in the presence of electromagnetic field by the Hagedorn wave packets approach. By operator splitting, the Hamiltonian is divided into the modified part and the residual part. The modified Hamiltonian, which is the main new idea of this paper, is chosen by the fact that Hagedorn wave packets are localized both in space and momentum so that a crucial correction term is added to the truncated Hamiltonian, and is treated by evolving the parameters associated with the Hagedorn wave packets. The residual part is treated by a Galerkin approximation. We prove that, with the modified Hamiltonian only, the Hagedorn wave packets dynamics give the asymptotic solution with error O(?{sup 1/2}), where ? is the scaled Planck constant. We also prove that, the Galerkin approximation for the residual Hamiltonian can reduce the approximation error to O(?{sup k/2}), where k depends on the number of Hagedorn wave packets added to the dynamics. This approach is easy to implement, and can be naturally extended to the multidimensional cases. Unlike the high order Gaussian beam method, in which the non-constant cut-off function is necessary and some extra error is introduced, the Hagedorn wave packets approach gives a practical way to improve accuracy even when ? is not very small.
Generalized Dix equation and analytic treatment of normal-movement velocity for anisotropic media
Grechka, V.; Tsvankin, I.; Cohen, J.K.
1999-03-01
Despite the complexity of wave propagation in anisotropic media, reflection moveout on conventional common-midpoint (CMP) spreads is usually well described by the normal-moveout (NMO) velocity defined in the zero-offset limit. In their recent work, Grechka and Tsvankin showed that the azimuthal variation of NMO velocity around a fixed CMP location generally has an elliptical form (i.e., plotting the NMO velocity in each azimuthal direction produces an ellipse) and is determined by the spatial derivatives of the slowness vector evaluated at the CMP location. This formalism is used here to develop exact solutions for the NMO velocity in anisotropic media of arbitrary symmetry. The high accuracy of the NMO expressions is illustrated by comparison with ray-traced reflection traveltimes in piecewise-homogeneous, azimuthally anisotropic models. The authors also apply the generalized Dix equation to field data collected over a fractured reservoir and show that P-wave moveout can be used to find the depth-dependent fracture orientation and to evaluate the magnitude of azimuthal anisotropy.
Three-step H-P adaptve strategy for the incompressible Navier-Stokes equations
Oden, J.T.; Wu, W.; Ainsworth, M.
1995-12-31
Recently, a reliable a posteriori error estimate was developed, mainly based on the element residual method, for a class of steady state incompressible Navier-Stokes equations. In this paper, using this error estimate, a three-step h-p adaptive strategy is developed to solve incompressible flow problems. The goal of developing an h-p adaptive strategy is to obtain accurate approximate solutions while minimizing computational costs. The basic idea of the three-step h-p adaptive strategy is to solve for the system on the three consecutive meshes, i.e. an initial mesh, an intermediate h-p adaptive mesh, and a final h-p adaptive mesh. Each new adaptive mesh is obtained by estimating the error on the previous mesh and executing a single h- or p- refinement procedure on the previous mesh according to the results of the adaptive strategy. Numerical results indicate that the proposed three-step adaptive strategy produces accurate solutions while keeping the total computational costs under control.
An equation of state for partially ionized plasmas: The Coulomb contribution to the free energy
Kilcrease, D. P.; Colgan, J.; Hakel, P.; Fontes, C. J.; Sherrill, M. E.
2015-06-20
We have previously developed an equation of state (EOS) model called ChemEOS (Hakel and Kilcrease, Atomic Processes in Plasmas, Eds., J. Cohen et al., AIP, 2004) for a plasma of interacting ions, atoms and electrons. It is based on a chemical picture of the plasma and is derived from an expression for the Helmholtz free energy of the interacting species. All other equilibrium thermodynamic quantities are then obtained by minimizing this free energy subject to constraints, thus leading to a thermodynamically consistent EOS. The contribution to this free energy from the Coulomb interactions among the particles is treated using themore » method of Chabrier and Potekhin (Phys. Rev. E 58, 4941 (1998)) which we have adapted for partially ionized plasmas. This treatment is further examined and is found to give rise to unphysical behavior for various elements at certain values of the density and temperature where the Coulomb coupling begins to become significant and the atoms are partially ionized. We examine the source of this unphysical behavior and suggest corrections that produce acceptable results. The sensitivity of the thermodynamic properties and frequency-dependent opacity of iron is examined with and without these corrections. Lastly, the corrected EOS is used to determine the fractional ion populations and level populations for a new generation of OPLIB low-Z opacity tables currently being prepared at Los Alamos National Laboratory with the ATOMIC code.« less
An efficient permeability scaling-up technique applied to the discretized flow equations
Urgelli, D.; Ding, Yu
1997-08-01
Grid-block permeability scaling-up for numerical reservoir simulations has been discussed for a long time in the literature. It is now recognized that a full permeability tensor is needed to get an accurate reservoir description at large scale. However, two major difficulties are encountered: (1) grid-block permeability cannot be properly defined because it depends on boundary conditions; (2) discretization of flow equations with a full permeability tensor is not straightforward and little work has been done on this subject. In this paper, we propose a new method, which allows us to get around both difficulties. As the two major problems are closely related, a global approach will preserve the accuracy. So, in the proposed method, the permeability up-scaling technique is integrated in the discretized numerical scheme for flow simulation. The permeability is scaled-up via the transmissibility term, in accordance with the fluid flow calculation in the numerical scheme. A finite-volume scheme is particularly studied, and the transmissibility scaling-up technique for this scheme is presented. Some numerical examples are tested for flow simulation. This new method is compared with some published numerical schemes for full permeability tensor discretization where the full permeability tensor is scaled-up through various techniques. Comparing the results with fine grid simulations shows that the new method is more accurate and more efficient.
Wang, Wei; Shu, Chi-Wang; Yee, H.C.; Sjgreen, Bjrn
2012-01-01
A new high order finite-difference method utilizing the idea of Harten ENO subcell resolution method is proposed for chemical reactive flows and combustion. In reaction problems, when the reaction time scale is very small, e.g., orders of magnitude smaller than the fluid dynamics time scales, the governing equations will become very stiff. Wrong propagation speed of discontinuity may occur due to the underresolved numerical solution in both space and time. The present proposed method is a modified fractional step method which solves the convection step and reaction step separately. In the convection step, any high order shock-capturing method can be used. In the reaction step, an ODE solver is applied but with the computed flow variables in the shock region modified by the Harten subcell resolution idea. For numerical experiments, a fifth-order finite-difference WENO scheme and its anti-diffusion WENO variant are considered. A wide range of 1D and 2D scalar and Euler system test cases are investigated. Studies indicate that for the considered test cases, the new method maintains high order accuracy in space for smooth flows, and for stiff source terms with discontinuities, it can capture the correct propagation speed of discontinuities in very coarse meshes with reasonable CFL numbers.
Entropy vs. energy waveform processing: A comparison based on the heat equation
Hughes, Michael S.; McCarthy, John E.; Bruillard, Paul J.; Marsh, Jon N.; Wickline, Samuel A.
2015-05-25
Virtually all modern imaging devices collect electromagnetic or acoustic waves and use the energy carried by these waves to determine pixel values to create what is basically an “energy” picture. However, waves also carry “information”, as quantified by some form of entropy, and this may also be used to produce an “information” image. Numerous published studies have demonstrated the advantages of entropy, or “information imaging”, over conventional methods. The most sensitive information measure appears to be the joint entropy of the collected wave and a reference signal. The sensitivity of repeated experimental observations of a slowly-changing quantity may be definedmore » as the mean variation (i.e., observed change) divided by mean variance (i.e., noise). Wiener integration permits computation of the required mean values and variances as solutions to the heat equation, permitting estimation of their relative magnitudes. There always exists a reference, such that joint entropy has larger variation and smaller variance than the corresponding quantities for signal energy, matching observations of several studies. Moreover, a general prescription for finding an “optimal” reference for the joint entropy emerges, which also has been validated in several studies.« less
Ita, B. I.; Anake, T. A.
2014-11-12
The Schrdinger equation with the interaction of inversely quadratic effective and Mie-type potential has been solved for any angular momentum quantum number l using the Nikiforov-Uvarov method. The bound state energy eigenvalues and the corresponding un-normalized eigenfunctions are obtained in terms of the Laguerre polynomials. Several cases of the potential are also considered and their eigen values obtained.
Gonalves, W. C.; Sardella, E.; UNESP-Universidade Estadual Paulista, IPMet-Instituto de Pesquisas Meteorolgicas, CEP 17048-699 Bauru, SP ; Becerra, V. F.; Miloevi?, M. V.; Peeters, F. M.; Departamento de Fsica, Universidade Federal do Cear, 60455-900 Fortaleza, Cear
2014-04-15
The time-dependent Ginzburg-Landau formalism for (d + s)-wave superconductors and their representation using auxiliary fields is investigated. By using the link variable method, we then develop suitable discretization of these equations. Numerical simulations are carried out for a mesoscopic superconductor in a homogeneous perpendicular magnetic field which revealed peculiar vortex states.
Xu, Nu
2004-01-01
We discuss recent results from RHIC. Issues of energy loss and partonic collectivity from Au + Au collisions at {radical}s{sub NN} = 200 GeV are the focus of this paper. We propose a path toward the understanding of the partonic Equation of State in high energy nuclear collisions.
Chang, Justin; Karra, Satish; Nakshatrala, Kalyana B.
2016-07-26
It is well-known that the standard Galerkin formulation, which is often the formulation of choice under the finite element method for solving self-adjoint diffusion equations, does not meet maximum principles and the non-negative constraint for anisotropic diffusion equations. Recently, optimization-based methodologies that satisfy maximum principles and the non-negative constraint for steady-state and transient diffusion-type equations have been proposed. To date, these methodologies have been tested only on small-scale academic problems. The purpose of this paper is to systematically study the performance of the non-negative methodology in the context of high performance computing (HPC). PETSc and TAO libraries are, respectively, usedmore » for the parallel environment and optimization solvers. For large-scale problems, it is important for computational scientists to understand the computational performance of current algorithms available in these scientific libraries. The numerical experiments are conducted on the state-of-the-art HPC systems, and a single-core performance model is used to better characterize the efficiency of the solvers. Furthermore, our studies indicate that the proposed non-negative computational framework for diffusion-type equations exhibits excellent strong scaling for real-world large-scale problems.« less
Bazalii, B V; Degtyarev, S P
2013-07-31
An elliptic boundary-value problem for second-order equations with nonnegative characteristic form is investigated in the situation when there is a weak degeneracy on the boundary of the domain. A priori estimates are obtained for solutions and the problem is proved to be solvable in some weighted Hlder spaces. Bibliography: 18 titles.
Boyarinov, V. F. Kondrushin, A. E. Fomichenko, P. A.
2014-12-15
Two-dimensional time-dependent finite-difference equations of the surface harmonics method (SHM) for the description of the neutron transport are derived for square-lattice reactors. These equations are implemented in the SUHAM-TD code. Verification of the derived equations and the developed code are performed by the example of known test problems, and the potential and efficiency of the SHM as applied to the solution of the time-dependent neutron transport equation in the diffusion approximation in two-dimensional geometry are demonstrated. These results show the substantial advantage of SHM over direct finite-difference modeling in computational costs.
Starke, G.
1994-12-31
For nonselfadjoint elliptic boundary value problems which are preconditioned by a substructuring method, i.e., nonoverlapping domain decomposition, the author introduces and studies the concept of subspace orthogonalization. In subspace orthogonalization variants of Krylov methods the computation of inner products and vector updates, and the storage of basis elements is restricted to a (presumably small) subspace, in this case the edge and vertex unknowns with respect to the partitioning into subdomains. The author investigates subspace orthogonalization for two specific iterative algorithms, GMRES and the full orthogonalization method (FOM). This is intended to eliminate certain drawbacks of the Arnoldi-based Krylov subspace methods mentioned above. Above all, the length of the Arnoldi recurrences grows linearly with the iteration index which is therefore restricted to the number of basis elements that can be held in memory. Restarts become necessary and this often results in much slower convergence. The subspace orthogonalization methods, in contrast, require the storage of only the edge and vertex unknowns of each basis element which means that one can iterate much longer before restarts become necessary. Moreover, the computation of inner products is also restricted to the edge and vertex points which avoids the disturbance of the computational flow associated with the solution of subdomain problems. The author views subspace orthogonalization as an alternative to restarting or truncating Krylov subspace methods for nonsymmetric linear systems of equations. Instead of shortening the recurrences, one restricts them to a subset of the unknowns which has to be carefully chosen in order to be able to extend this partial solution to the entire space. The author discusses the convergence properties of these iteration schemes and its advantages compared to restarted or truncated versions of Krylov methods applied to the full preconditioned system.
High Temperature, high pressure equation of state density correlations and viscosity correlations
Tapriyal, D.; Enick, R.; McHugh, M.; Gamwo, I.; Morreale, B.
2012-07-31
Global increase in oil demand and depleting reserves has derived a need to find new oil resources. To find these untapped reservoirs, oil companies are exploring various remote and harsh locations such as deep waters in Gulf of Mexico, remote arctic regions, unexplored deep deserts, etc. Further, the depth of new oil/gas wells being drilled has increased considerably to tap these new resources. With the increase in the well depth, the bottomhole temperature and pressure are also increasing to extreme values (i.e. up to 500 F and 35,000 psi). The density and viscosity of natural gas and crude oil at reservoir conditions are critical fundamental properties required for accurate assessment of the amount of recoverable petroleum within a reservoir and the modeling of the flow of these fluids within the porous media. These properties are also used to design appropriate drilling and production equipment such as blow out preventers, risers, etc. With the present state of art, there is no accurate database for these fluid properties at extreme conditions. As we have begun to expand this experimental database it has become apparent that there are neither equations of state for density or transport models for viscosity that can be used to predict these fundamental properties of multi-component hydrocarbon mixtures over a wide range of temperature and pressure. Presently, oil companies are using correlations based on lower temperature and pressure databases that exhibit an unsatisfactory predictive capability at extreme conditions (e.g. as great as {+-} 50%). From the perspective of these oil companies that are committed to safely producing these resources, accurately predicting flow rates, and assuring the integrity of the flow, the absence of an extensive experimental database at extreme conditions and models capable of predicting these properties over an extremely wide range of temperature and pressure (including extreme conditions) makes their task even more daunting.
Conditions for critical effects in the mass action kinetics equations for water radiolysis
Wittman, Richard S.; Buck, Edgar C.; Mausolf, Edward J.; McNamara, Bruce K.; Smith, Frances N.; Soderquist, Chuck Z.
2014-12-26
We report on a subtle global feature of the mass action kinetics equations for water radiolysis that results in predictions of a critical behavior in H2O2 and associated radical concentrations. While radiolysis kinetics has been studied extensively in the past, it is only in recent years that high speed computing has allowed the rapid exploration of the solution over widely varying dose and compositional conditions. We explore the radiolytic production of H2O2 under various externally fixed conditions of molecular H2 and O2 that have been regarded as problematic in the literature specifically, jumps in predicted concentrations, and inconsistencies between predictions and experiments have been reported for alpha radiolysis. We computationally map-out a critical concentration behavior for alpha radiolysis kinetics using a comprehensive set of reactions. We then show that all features of interest are accurately reproduced with 15 reactions. An analytical solution for steady-state concentrations of the 15 reactions reveals regions in [H2] and [O2] where the H2O2 concentration is not unique both stable and unstable concentrations exist. The boundary of this region can be characterized analytically as a function of G-values and rate constants independent of dose rate. Physically, the boundary can be understood as separating a region where a steady-state H2O2 concentration exists, from one where it does not exist without a direct decomposition reaction. We show that this behavior is consistent with reported alpha radiolysis data and that no such behavior should occur for gamma radiolysis. We suggest experiments that could verify or discredit a critical concentration behavior for alpha radiolysis and could place more restrictive ranges on G-values from derived relationships between them.
Conditions for critical effects in the mass action kinetics equations for water radiolysis
Wittman, Richard S.; Buck, Edgar C.; Mausolf, Edward J.; McNamara, Bruce K.; Smith, Frances N.; Soderquist, Chuck Z.
2014-11-25
We report on a subtle global feature of the mass action kinetics equations for water radiolysis that results in predictions of a critical behavior in H2O2 and associated radical concentrations. While radiolysis kinetics has been studied extensively in the past, it is only in recent years that high speed computing has allowed the rapid exploration of the solution over widely varying dose and compositional conditions. We explore the radiolytic production of H2O2 under various externally fixed conditions of molecular H2 and O2 that have been regarded as problematic in the literature specifically, jumps in predicted concentrations, and inconsistencies between predictions and experiments have been reported for alpha radiolysis. We computationally map-out a critical concentration behavior for alpha radiolysis kinetics using a comprehensive set of reactions. We then show that all features of interest are accurately reproduced with 15 reactions. An analytical solution for steady-state concentrations of the 15 reactions reveals regions in [H2] and [O2] where the H2O2 concentration is not unique both stable and unstable concentrations exist. The boundary of this region can be characterized analytically as a function of G-values and rate constants independent of dose rate. Physically, the boundary can be understood as separating a region where a steady-state H2O2 concentration exists, from one where it does not exist without a direct decomposition reaction. We show that this behavior is consistent with reported alpha radiolysis data and that no such behavior should occur for gamma radiolysis. We suggest experiments that could verify or discredit a critical concentration behavior for alpha radiolysis and could place more restrictive ranges on G-values from derived relationships between them.
First-principles equation-of-state table of deuterium for inertial confinement fusion applications
Hu, S. X.; Goncharov, V. N.; Skupsky, S.; Militzer, B.
2011-12-01
Understanding and designing inertial confinement fusion (ICF) implosions through radiation-hydrodynamics simulations relies on the accurate knowledge of the equation of state (EOS) of the deuterium and tritium fuels. To minimize the drive energy for ignition, the imploding shell of DT fuel must be kept as cold as possible. Such low-adiabat ICF implosions can access to coupled and degenerate plasma conditions, in which the analytical EOS models become inaccurate due to many-body effects. Using the path-integral Monte Carlo (PIMC) simulations we have derived a first-principles EOS (FPEOS) table of deuterium that covers typical ICF fuel conditions at densities ranging from 0.002 to 1596 g/cm{sup 3} and temperatures of 1.35 eV to 5.5 keV. We report the internal energy and the pressure and discuss the structure of the plasma in terms of pair-correlation functions. When compared with the widely used SESAME table and the revised Kerley03 table, discrepancies in the internal energy and in the pressure are identified for moderately coupled and degenerate plasma conditions. In contrast to the SESAME table, the revised Kerley03 table is in better agreement with our FPEOS results over a wide range of densities and temperatures. Although subtle differences still exist for lower temperatures (T < 10 eV) and moderate densities (1 to 10 g/cm{sup 3}), hydrodynamics simulations of cryogenic ICF implosions using the FPEOS table and the Kerley03 table have resulted in similar results for the peak density, areal density ({rho}R), and neutron yield, which differ significantly from the SESAME simulations.
Exploring a multi-resolution modeling approach within the shallow-water equations
Ringler, Todd; Jacobsen, Doug; Gunzburger, Max; Ju, Lili; Duda, Michael; Skamarock, William
2011-01-01
The ability to solve the global shallow-water equations with a conforming, variable-resolution mesh is evaluated using standard shallow-water test cases. While the long-term motivation for this study is the creation of a global climate modeling framework capable of resolving different spatial and temporal scales in different regions, the process begins with an analysis of the shallow-water system in order to better understand the strengths and weaknesses of the approach developed herein. The multiresolution meshes are spherical centroidal Voronoi tessellations where a single, user-supplied density function determines the region(s) of fine- and coarsemesh resolution. The shallow-water system is explored with a suite of meshes ranging from quasi-uniform resolution meshes, where the grid spacing is globally uniform, to highly variable resolution meshes, where the grid spacing varies by a factor of 16 between the fine and coarse regions. The potential vorticity is found to be conserved to within machine precision and the total available energy is conserved to within a time-truncation error. This result holds for the full suite of meshes, ranging from quasi-uniform resolution and highly variable resolution meshes. Based on shallow-water test cases 2 and 5, the primary conclusion of this study is that solution error is controlled primarily by the grid resolution in the coarsest part of the model domain. This conclusion is consistent with results obtained by others.When these variable-resolution meshes are used for the simulation of an unstable zonal jet, the core features of the growing instability are found to be largely unchanged as the variation in the mesh resolution increases. The main differences between the simulations occur outside the region of mesh refinement and these differences are attributed to the additional truncation error that accompanies increases in grid spacing. Overall, the results demonstrate support for this approach as a path toward
Azmy, Yousry
2014-06-10
We employ the Integral Transport Matrix Method (ITMM) as the kernel of new parallel solution methods for the discrete ordinates approximation of the within-group neutron transport equation. The ITMM abandons the repetitive mesh sweeps of the traditional source iterations (SI) scheme in favor of constructing stored operators that account for the direct coupling factors among all the cells' fluxes and between the cells' and boundary surfaces' fluxes. The main goals of this work are to develop the algorithms that construct these operators and employ them in the solution process, determine the most suitable way to parallelize the entire procedure, and evaluate the behavior and parallel performance of the developed methods with increasing number of processes, P. The fastest observed parallel solution method, Parallel Gauss-Seidel (PGS), was used in a weak scaling comparison with the PARTISN transport code, which uses the source iteration (SI) scheme parallelized with the Koch-baker-Alcouffe (KBA) method. Compared to the state-of-the-art SI-KBA with diffusion synthetic acceleration (DSA), this new method- even without acceleration/preconditioning-is completitive for optically thick problems as P is increased to the tens of thousands range. For the most optically thick cells tested, PGS reduced execution time by an approximate factor of three for problems with more than 130 million computational cells on P = 32,768. Moreover, the SI-DSA execution times's trend rises generally more steeply with increasing P than the PGS trend. Furthermore, the PGS method outperforms SI for the periodic heterogeneous layers (PHL) configuration problems. The PGS method outperforms SI and SI-DSA on as few as P = 16 for PHL problems and reduces execution time by a factor of ten or more for all problems considered with more than 2 million computational cells on P = 4.096.
Frozen and broken color: a matrix Schroedinger equation in the semiclassical limit
Orbach, H.S.
1981-01-01
We consider the case of frozen color, i.e, where global color symmetry remains exact, but where colored states have a mass large compared to color-singlet mesons. Using semiclassical WKB formalism, we construct the spectrum of bound states. In order to determine the charge of the constituents, we then consider deep-inelastic scattering of an external probe (e.g., lepton) from our one-dimensional meson. We calculate explicitly the structure function, W, in the WKB limit and show how Lipkin's mechanism is manifested, as well as how scaling behavior comes. We derive the WKB formalism as a special case of a method of obtaining WKB type solutions for generalized Schroedinger equations for which the Hamiltonian is an arbitrary matrix function of any number of pairs of canonical operators. We generalize these considerations to the case of broken color symmetry - but where the breaking is not so strong as to allow low-lying states to have a large amount of mixing with the colored states. In this case, the degeneracy of excited colored states can be broken. We find that local excitation of color guarantees global excitation of color; i.e., if at a given energy colored semiclassical states can be constructed with size comparable to that of the ground state wave function, colored states of that energy will also exist in the spectrum of the full theory and will be observed. However, global existence of color does not guarantee the excitation of colored states via deep-inelastic processes.
Modeling, mesh generation, and adaptive numerical methods for partial differential equations
Babuska, I.; Henshaw, W.D.; Oliger, J.E.; Flaherty, J.E.; Hopcroft, J.E.; Tezduyar, T.
1995-12-31
Mesh generation is one of the most time consuming aspects of computational solutions of problems involving partial differential equations. It is, furthermore, no longer acceptable to compute solutions without proper verification that specified accuracy criteria are being satisfied. Mesh generation must be related to the solution through computable estimates of discretization errors. Thus, an iterative process of alternate mesh and solution generation evolves in an adaptive manner with the end result that the solution is computed to prescribed specifications in an optimal, or at least efficient, manner. While mesh generation and adaptive strategies are becoming available, major computational challenges remain. One, in particular, involves moving boundaries and interfaces, such as free-surface flows and fluid-structure interactions. A 3-week program was held from July 5 to July 23, 1993 with 173 participants and 66 keynote, invited, and contributed presentations. This volume represents written versions of 21 of these lectures. These proceedings are organized roughly in order of their presentation at the workshop. Thus, the initial papers are concerned with geometry and mesh generation and discuss the representation of physical objects and surfaces on a computer and techniques to use this data to generate, principally, unstructured meshes of tetrahedral or hexahedral elements. The remainder of the papers cover adaptive strategies, error estimation, and applications. Several submissions deal with high-order p- and hp-refinement methods where mesh refinement/coarsening (h-refinement) is combined with local variation of method order (p-refinement). Combinations of mathematically verified and physically motivated approaches to error estimation are represented. Applications center on fluid mechanics. Selected papers are indexed separately for inclusion in the Energy Science and Technology Database.
Equation of state and transport property measurements of warm dense matter.
Knudson, Marcus D.; Desjarlais, Michael Paul
2009-10-01
Location of the liquid-vapor critical point (c.p.) is one of the key features of equation of state models used in simulating high energy density physics and pulsed power experiments. For example, material behavior in the location of the vapor dome is critical in determining how and when coronal plasmas form in expanding wires. Transport properties, such as conductivity and opacity, can vary an order of magnitude depending on whether the state of the material is inside or outside of the vapor dome. Due to the difficulty in experimentally producing states near the vapor dome, for all but a few materials, such as Cesium and Mercury, the uncertainty in the location of the c.p. is of order 100%. These states of interest can be produced on Z through high-velocity shock and release experiments. For example, it is estimated that release adiabats from {approx}1000 GPa in aluminum would skirt the vapor dome allowing estimates of the c.p. to be made. This is within the reach of Z experiments (flyer plate velocity of {approx}30 km/s). Recent high-fidelity EOS models and hydrocode simulations suggest that the dynamic two-phase flow behavior observed in initial scoping experiments can be reproduced, providing a link between theory and experiment. Experimental identification of the c.p. in aluminum would represent the first measurement of its kind in a dynamic experiment. Furthermore, once the c.p. has been experimentally determined it should be possible to probe the electrical conductivity, opacity, reflectivity, etc. of the material near the vapor dome, using a variety of diagnostics. We propose a combined experimental and theoretical investigation with the initial emphasis on aluminum.
ENTROPY VS. ENERGY WAVEFORM PROCESSING: A COMPARISON ON THE HEAT EQUATION
Hughes, Michael S.; McCarthy, John; Bruillard, Paul J.; Marsh, Jon N.; Wicklines, Samuel A.
2015-05-25
Virtually all modern imaging devices function by collecting either electromagnetic or acoustic backscattered waves and using the energy carried by these waves to determine pixel values that build up what is basically an ”energy” picture. However, waves also carry ”informa- tion” that also may be used to compute the pixel values in an image. We have employed several measures of information, all of which are based on different forms of entropy. Numerous published studies have demonstrated the advantages of entropy, or “information imaging”, over conventional methods for materials characterization and medical imaging. Similar results also have been obtained with microwaves. The most sensitive information measure appears to be the joint entropy of the backscattered wave and a reference signal. A typical study is comprised of repeated acquisition of backscattered waves from a specimen that is changing slowing with acquisition time or location. The sensitivity of repeated experimental observations of such a slowly changing quantity may be defined as the mean variation (i.e., observed change) divided by mean variance (i.e., observed noise). We compute the sensitivity for joint entropy and signal energy measurements assuming that noise is Gaussian and using Wiener integration to compute the required mean values and variances. These can be written as solutions to the Heat equation, which permits estimation of their magnitudes. There always exists a reference such that joint entropy has larger variation and smaller variance than the corresponding quantities for signal energy, matching observations of several studies. Moreover, a general prescription for finding an “optimal” reference for the joint entropy emerges, which also has been validated in several studies.
Kidon, Lyran; Wilner, Eli Y.; Rabani, Eran
2015-12-21
The generalized quantum master equation provides a powerful tool to describe the dynamics in quantum impurity models driven away from equilibrium. Two complementary approaches, one based on Nakajima–Zwanzig–Mori time-convolution (TC) and the other on the Tokuyama–Mori time-convolutionless (TCL) formulations provide a starting point to describe the time-evolution of the reduced density matrix. A key in both approaches is to obtain the so called “memory kernel” or “generator,” going beyond second or fourth order perturbation techniques. While numerically converged techniques are available for the TC memory kernel, the canonical approach to obtain the TCL generator is based on inverting a super-operator in the full Hilbert space, which is difficult to perform and thus, nearly all applications of the TCL approach rely on a perturbative scheme of some sort. Here, the TCL generator is expressed using a reduced system propagator which can be obtained from system observables alone and requires the calculation of super-operators and their inverse in the reduced Hilbert space rather than the full one. This makes the formulation amenable to quantum impurity solvers or to diagrammatic techniques, such as the nonequilibrium Green’s function. We implement the TCL approach for the resonant level model driven away from equilibrium and compare the time scales for the decay of the generator with that of the memory kernel in the TC approach. Furthermore, the effects of temperature, source-drain bias, and gate potential on the TCL/TC generators are discussed.
A global solution to the Schrödinger equation: From Henstock to Feynman
Nathanson, Ekaterina S.; Jørgensen, Palle E. T.
2015-09-15
One of the key elements of Feynman’s formulation of non-relativistic quantum mechanics is a so-called Feynman path integral. It plays an important role in the theory, but it appears as a postulate based on intuition, rather than a well-defined object. All previous attempts to supply Feynman’s theory with rigorous mathematics underpinning, based on the physical requirements, have not been satisfactory. The difficulty comes from the need to define a measure on the infinite dimensional space of paths and to create an integral that would possess all of the properties requested by Feynman. In the present paper, we consider a new approach to defining the Feynman path integral, based on the theory developed by Muldowney [A Modern Theory of Random Variable: With Applications in Stochastic Calcolus, Financial Mathematics, and Feynman Integration (John Wiley & Sons, Inc., New Jersey, 2012)]. Muldowney uses the Henstock integration technique and deals with non-absolute integrability of the Fresnel integrals, in order to obtain a representation of the Feynman path integral as a functional. This approach offers a mathematically rigorous definition supporting Feynman’s intuitive derivations. But in his work, Muldowney gives only local in space-time solutions. A physical solution to the non-relativistic Schrödinger equation must be global, and it must be given in the form of a unitary one-parameter group in L{sup 2}(ℝ{sup n}). The purpose of this paper is to show that a system of one-dimensional local Muldowney’s solutions may be extended to yield a global solution. Moreover, the global extension can be represented by a unitary one-parameter group acting in L{sup 2}(ℝ{sup n})
SESAME 96170, a solid-liquid equation of state for CeO2
Chisolm, Eric D.
2014-05-02
I describe an equation of state (EOS) for the low-pressure solid phase and liquid phase of cerium (IV) oxide, CeO_{2}. The models and parameters used to calculate the EOS are presented in detail, and I compare with data for the full-density crystal. Hugoniot data are available only for high-porosity powders, and I discuss difficulties in comparing with such data. I have constructed SESAME 96170, an EOS for cerium (IV) oxide that includes the ambient solid and liquid phases. The EOS extends over the full standard SESAME range, but should not be used at low temperatures and high densities because of the lack of a high-pressure solid phase. I have described the models used to compute the three terms of the EOS (cold curve, nuclear, and thermal electronic), and I have given the parameters used in the models. They were determined by comparison with experimental data at P = 1 atm, including the constant-pressure specific heat, coefficient of thermal expansion, and melting and boiling points. The EOS compares well with data in its intended range of validity, but the presence of high-frequency optical modes in its phonon spectrum limits the agreement of our models with thermal data. The next step is to construct a multiphase EOS that includes the low- and high-pressure solid phases and the liquid. The DAC data from Duclos will most strongly constrain the parameters of the high-pressure solid. A remaining issue is the comparison of the crystal-density EOS with experimental Hugoniot data, which are taken at much lower initial data because the samples are porous powders. A satisfactory means of modeling porosity, allowing comparison of theory and experiment, has not yet been produced.
R. A. Berry; R. Saurel; O. LeMetayer
2010-11-01
For the simulation of light water nuclear reactor coolant flows, general two-phase models (valid for all volume fractions) have been generally used which, while allowing for velocity disequilibrium, normally force pressure equilibrium between the phases (see, for example, the numerous models of this type described in H. Stdtke, Gasdynamic Aspects of Two-Phase Flow, Wiley-VCH, 2006). These equations are not hyperbolic, their physical wave dynamics are incorrect, and their solution algorithms rely on dubious truncation error induced artificial viscosity to render them numerically well posed over a portion of the computational spectrum. The inherent problems of the traditional approach to multiphase modeling, which begins with an averaged system of (ill-posed) partial differential equations (PDEs) which are then discretized to form a numerical scheme, are avoided by employing a new homogenization method known as the Discrete Equation Method (DEM) (R. Abgrall and R. Saurel, Discrete Equations for Physical and Numerical Compressible Multiphase Mixtures, J. Comp. Phys. 186, 361-396, 2003). This method results in well-posed hyperbolic systems, this property being important for transient flows. This also allows a clear treatment of non-conservative terms (terms involving interfacial variables and volume fraction gradients) permitting the solution of interface problems without conservation errors, this feature being important for the direct numerical simulation of two-phase flows. Unlike conventional methods, the averaged system of PDEs for the mixture are not used, and the DEM method directly obtains a well-posed discrete equation system from the single-phase conservation laws, producing a numerical scheme which accurately computes fluxes for arbitrary number of phases and solves non-conservative products. The method effectively uses a sequence of single phase Riemann problem solutions. Phase interactions are accounted for by Riemann solvers at each interface. Non
Conjugate heat and mass transfer in the lattice Boltzmann equation method
Li, LK; Chen, C; Mei, RW; Klausner, JF
2014-04-22
An interface treatment for conjugate heat and mass transfer in the lattice Boltzmann equation method is proposed based on our previously proposed second-order accurate Dirichlet and Neumann boundary schemes. The continuity of temperature (concentration) and its flux at the interface for heat (mass) transfer is intrinsically satisfied without iterative computations, and the interfacial temperature (concentration) and their fluxes are conveniently obtained from the microscopic distribution functions without finite-difference calculations. The present treatment takes into account the local geometry of the interface so that it can be directly applied to curved interface problems such as conjugate heat and mass transfer in porous media. For straight interfaces or curved interfaces with no tangential gradient, the coupling between the interfacial fluxes along the discrete lattice velocity directions is eliminated and thus the proposed interface schemes can be greatly simplified. Several numerical tests are conducted to verify the applicability and accuracy of the proposed conjugate interface treatment, including (i) steady convection-diffusion in a channel containing two different fluids, (ii) unsteady convection-diffusion in the channel, (iii) steady heat conduction inside a circular domain with two different solid materials, and (iv) unsteady mass transfer from a spherical droplet in an extensional creeping flow. The accuracy and order of convergence of the simulated interior temperature (concentration) field, the interfacial temperature (concentration), and heat (mass) flux are examined in detail and compared with those obtained from the "half-lattice division" treatment in the literature. The present analysis and numerical results show that the half-lattice division scheme is second-order accurate only when the interface is fixed at the center of the lattice links, while the present treatment preserves second-order accuracy for arbitrary link fractions. For curved
Thompson, K.G.
2000-11-01
In this work, we develop a new spatial discretization scheme that may be used to numerically solve the neutron transport equation. This new discretization extends the family of corner balance spatial discretizations to include spatial grids of arbitrary polyhedra. This scheme enforces balance on subcell volumes called corners. It produces a lower triangular matrix for sweeping, is algebraically linear, is non-negative in a source-free absorber, and produces a robust and accurate solution in thick diffusive regions. Using an asymptotic analysis, we design the scheme so that in thick diffusive regions it will attain the same solution as an accurate polyhedral diffusion discretization. We then refine the approximations in the scheme to reduce numerical diffusion in vacuums, and we attempt to capture a second order truncation error. After we develop this Upstream Corner Balance Linear (UCBL) discretization we analyze its characteristics in several limits. We complete a full diffusion limit analysis showing that we capture the desired diffusion discretization in optically thick and highly scattering media. We review the upstream and linear properties of our discretization and then demonstrate that our scheme captures strictly non-negative solutions in source-free purely absorbing media. We then demonstrate the minimization of numerical diffusion of a beam and then demonstrate that the scheme is, in general, first order accurate. We also note that for slab-like problems our method actually behaves like a second-order method over a range of cell thicknesses that are of practical interest. We also discuss why our scheme is first order accurate for truly 3D problems and suggest changes in the algorithm that should make it a second-order accurate scheme. Finally, we demonstrate 3D UCBL's performance on several very different test problems. We show good performance in diffusive and streaming problems. We analyze truncation error in a 3D problem and demonstrate robustness in a
Sjostrom, Travis; Crockett, Scott
2015-09-02
The liquid regime equation of state of silicon dioxide SiO2 is calculated via quantum molecular dynamics in the density range of 5 to 15 g/cc and with temperatures from 0.5 to 100 eV, including the α-quartz and stishovite phase Hugoniot curves. Below 8 eV calculations are based on Kohn-Sham density functional theory (DFT), and above 8 eV a new orbital-free DFT formulation, presented here, based on matching Kohn-Sham DFT calculations is employed. Recent experimental shock data are found to be in very good agreement with the current results. Finally both experimental and simulation data are used in constructing a newmore » liquid regime equation of state table for SiO2.« less
Sjostrom, Travis; Crockett, Scott
2015-09-02
The liquid regime equation of state of silicon dioxide SiO_{2} is calculated via quantum molecular dynamics in the density range of 5 to 15 g/cc and with temperatures from 0.5 to 100 eV, including the α-quartz and stishovite phase Hugoniot curves. Below 8 eV calculations are based on Kohn-Sham density functional theory (DFT), and above 8 eV a new orbital-free DFT formulation, presented here, based on matching Kohn-Sham DFT calculations is employed. Recent experimental shock data are found to be in very good agreement with the current results. Finally both experimental and simulation data are used in constructing a new liquid regime equation of state table for SiO_{2}.
Guo Shimin; Wang Hongli; Mei Liquan
2012-06-15
By combining the effects of bounded cylindrical geometry, azimuthal and axial perturbations, the nonlinear dust acoustic waves (DAWs) in an unmagnetized plasma consisting of negatively charged dust grains, nonextensive ions, and nonextensive electrons are studied in this paper. Using the reductive perturbation method, a (3 + 1)-dimensional variable-coefficient cylindrical Korteweg-de Vries (KdV) equation describing the nonlinear propagation of DAWs is derived. Via the homogeneous balance principle, improved F-expansion technique and symbolic computation, the exact traveling and solitary wave solutions of the KdV equation are presented in terms of Jacobi elliptic functions. Moreover, the effects of the plasma parameters on the solitary wave structures are discussed in detail. The obtained results could help in providing a good fit between theoretical analysis and real applications in space physics and future laboratory plasma experiments where long-range interactions are present.
Bell-polynomial approach and N-soliton solution for the extended Lotka-Volterra equation in plasmas
Qin Bo; Liu Licai; Wang Ming; Lin Zhiqiang; Liu Wenjun; Tian Bo
2011-04-15
Symbolically investigated in this paper is the extended Lotka-Volterra (ELV) equation, which can govern the kinetics of the discrete peaks of the weak Langmuir turbulence in plasmas without the linear damping and random noise. Binary Bell polynomials are applied to the bilinearization of the discrete system. Bilinear Baecklund transformation of the ELV equation is constructed. N-soliton solution in terms of the extended Casorati determinant is also presented and verified. Propagation and interaction behaviors of the Langmuir turbulence are analyzed. It is demonstrated that the number of the interacting Langmuir waves can influence the soliton velocity and amplitude as well as the collision phase shift. Graphic illustrations of the solitonic collisions show that the repulsion effects and nonlinear interactions are also associated with the number of the interacting Langmuir waves.
Cherne, Frank J; Jensen, Brian J; Elkin, Vyacheslav M
2009-01-01
The complexity of cerium combined with its interesting material properties makes it a desirable material to examine dynamically. Characteristics such as the softening of the material before the phase change, low pressure solid-solid phase change, predicted low pressure melt boundary, and the solid-solid critical point add complexity to the construction of its equation of state. Currently, we are incorporating a feedback loop between a theoretical understanding of the material and an experimental understanding. Using a model equation of state for cerium we compare calculated wave profiles with experimental wave profiles for a number of front surface impact (cerium impacting a plated window) experiments. Using the calculated release isentrope we predict the temperature of the observed rarefaction shock. These experiments showed that the release state occurs at different magnitudes, thus allowing us to infer where dynamic {gamma} - {alpha} phase boundary is.
Ita, B. I.
2014-11-12
By using the Nikiforov-Uvarov (NU) method, the Schrdinger equation has been solved for the interaction of inversely quadratic Hellmann (IQHP) and inversely quadratic potential (IQP) for any angular momentum quantum number, l. The energy eigenvalues and their corresponding eigenfunctions have been obtained in terms of Laguerre polynomials. Special cases of the sum of these potentials have been considered and their energy eigenvalues also obtained.
Andrea Prosperetti
2006-03-24
The report briefly describes the activities carried out in the course of the project. A first line of research was the development of systematic closure relations for averaged equations for disperse multiphase flow. A second line was the development of efficient numerical methods for the simulation of Navier-Stokes flows with many suspended particles. The report also lists the 21 journal articles in which this work is more fully decsribed.
Microsoft Word - NETL-TRS-5-2014_High-Temperature, High-Pressure Equation of State.20141003.docx
U.S. Department of Energy (DOE) all webpages (Extended Search)
High-Temperature, High-Pressure Equation of State: Solidification of Hydrocarbons and Viscosity Measurement of Krytox Oil Using Rolling-Ball Viscometer 3 October 2014 Office of Fossil Energy NETL-TRS-5-2014 Disclaimer This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility
Cornetti, G.M.
1995-12-31
The 3D Navier-Stokes equations are solved via the Characteristic-Galerkin method extended to free boundary problems. A temporal discretization procedure is proposed for the case where a preferential direction to move mesh point exists, as in thin domains. Using a single layer of finite elements, the numerical results cover the so-called shallow water 2D approximation, showing the same wave propagation speed.
Kelly, Aaron; Markland, Thomas E.; Brackbill, Nora
2015-03-07
In this article, we show how Ehrenfest mean field theory can be made both a more accurate and efficient method to treat nonadiabatic quantum dynamics by combining it with the generalized quantum master equation framework. The resulting mean field generalized quantum master equation (MF-GQME) approach is a non-perturbative and non-Markovian theory to treat open quantum systems without any restrictions on the form of the Hamiltonian that it can be applied to. By studying relaxation dynamics in a wide range of dynamical regimes, typical of charge and energy transfer, we show that MF-GQME provides a much higher accuracy than a direct application of mean field theory. In addition, these increases in accuracy are accompanied by computational speed-ups of between one and two orders of magnitude that become larger as the system becomes more nonadiabatic. This combination of quantum-classical theory and master equation techniques thus makes it possible to obtain the accuracy of much more computationally expensive approaches at a cost lower than even mean field dynamics, providing the ability to treat the quantum dynamics of atomistic condensed phase systems for long times.
Davis, M. J.; Kiefer, J. H.; Chemistry; Univ. of Illinois at Chicago
2002-05-08
We model recent experiments on the vibrational relaxation of oxirane in a shock tube. A master equation is developed which includes self-collisions of the oxirane, leading to a nonlinear master equation. This master equation is also applied to a more limited study of vibrational relaxation for cyclopropane in a shock tube. The time variation of the temperature dependence of the bath is also included in the calculations. Good agreement between the modeling and experiments are obtained through a fit to the energy transfer parameters. These fits demonstrate that self-collisions are dominant in promoting the relaxation even for mixtures of Kr and oxirane where the oxirane is 2% and 4% dilute. This dominance comes from two sources: (1) much larger energy transfer per collision for oxirane-oxirane collisions and (2) resonant energy transfer effects. For cyclopropane, some of the good fits show smaller energy transfer characteristics for self-collisions than buffer gas collisions. Even in these cases self-collisions are an important part of the energy transfer process through resonant energy transfer effects.
Goffin, Mark A.; Buchan, Andrew G.; Dargaville, Steven; Pain, Christopher C.; Smith, Paul N.; Smedley-Stevenson, Richard P.
2015-01-15
A method for applying goal-based adaptive methods to the angular resolution of the neutral particle transport equation is presented. The methods are applied to an octahedral wavelet discretisation of the spherical angular domain which allows for anisotropic resolution. The angular resolution is adapted across both the spatial and energy dimensions. The spatial domain is discretised using an inner-element sub-grid scale finite element method. The goal-based adaptive methods optimise the angular discretisation to minimise the error in a specific functional of the solution. The goal-based error estimators require the solution of an adjoint system to determine the importance to the specified functional. The error estimators and the novel methods to calculate them are described. Several examples are presented to demonstrate the effectiveness of the methods. It is shown that the methods can significantly reduce the number of unknowns and computational time required to obtain a given error. The novelty of the work is the use of goal-based adaptive methods to obtain anisotropic resolution in the angular domain for solving the transport equation. -- Highlights: •Wavelet angular discretisation used to solve transport equation. •Adaptive method developed for the wavelet discretisation. •Anisotropic angular resolution demonstrated through the adaptive method. •Adaptive method provides improvements in computational efficiency.
Figueroa, C.; Brizuela, H.; Heluani, S. P.
2014-05-21
The backscattering coefficient is a magnitude whose measurement is fundamental for the characterization of materials with techniques that make use of particle beams and particularly when performing microanalysis. In this work, we report the results of an analytic method to calculate the backscattering and absorption coefficients of electrons in similar conditions to those of electron probe microanalysis. Starting on a five level states ladder model in 3D, we deduced a set of integro-differential coupled equations of the coefficients with a method know as invariant embedding. By means of a procedure proposed by authors, called method of convergence, two types of approximate solutions for the set of equations, namely complete and simple solutions, can be obtained. Although the simple solutions were initially proposed as auxiliary forms to solve higher rank equations, they turned out to be also useful for the estimation of the aforementioned coefficients. In previous reports, we have presented results obtained with the complete solutions. In this paper, we present results obtained with the simple solutions of the coefficients, which exhibit a good degree of fit with the experimental data. Both the model and the calculation method presented here can be generalized to other techniques that make use of different sorts of particle beams.
Li, Zhihui; Ma, Qiang; Wu, Junlin; Jiang, Xinyu; Zhang, Hanxin
2014-12-09
Based on the Gas-Kinetic Unified Algorithm (GKUA) directly solving the Boltzmann model equation, the effect of rotational non-equilibrium is investigated recurring to the kinetic Rykov model with relaxation property of rotational degrees of freedom. The spin movement of diatomic molecule is described by moment of inertia, and the conservation of total angle momentum is taken as a new Boltzmann collision invariant. The molecular velocity distribution function is integrated by the weight factor on the internal energy, and the closed system of two kinetic controlling equations is obtained with inelastic and elastic collisions. The optimization selection technique of discrete velocity ordinate points and numerical quadrature rules for macroscopic flow variables with dynamic updating evolvement are developed to simulate hypersonic flows, and the gas-kinetic numerical scheme is constructed to capture the time evolution of the discretized velocity distribution functions. The gas-kinetic boundary conditions in thermodynamic non-equilibrium and numerical procedures are studied and implemented by directly acting on the velocity distribution function, and then the unified algorithm of Boltzmann model equation involving non-equilibrium effect is presented for the whole range of flow regimes. The hypersonic flows involving non-equilibrium effect are numerically simulated including the inner flows of shock wave structures in nitrogen with different Mach numbers of 1.5-Ma-25, the planar ramp flow with the whole range of Knudsen numbers of 0.0009-Kn-10 and the three-dimensional re-entering flows around tine double-cone body.
Bergmann, D.J.
1990-06-01
Several well known iterative methods for solving Poisson's equation, including Strongly Implicit Procedure and several preconditioned conjugate gradient methods are first applied to a problem with simple boundary conditions and a known solution. Then a problem with more complicated boundary conditions, similar to those encountered when modeling AVLIS plasmas, is solved. Differences in the solutions of the various methods are examined through the use of Fourier analysis. It was found that combinations of different iterative schemes will in some cases be the most efficient method of solution. 22 refs., 29 figs.
Kolobov, Vladimir; Arslanbekov, Robert; Frolova, Anna
2014-12-09
The paper describes an Adaptive Mesh in Phase Space (AMPS) technique for solving kinetic equations with deterministic mesh-based methods. The AMPS technique allows automatic generation of adaptive Cartesian mesh in both physical and velocity spaces using a Tree-of-Trees data structure. We illustrate advantages of AMPS for simulations of rarefied gas dynamics and electron kinetics on low temperature plasmas. In particular, we consider formation of the velocity distribution functions in hypersonic flows, particle kinetics near oscillating boundaries, and electron kinetics in a radio-frequency sheath. AMPS provide substantial savings in computational cost and increased efficiency of the mesh-based kinetic solvers.
Cao, Hui Zhang, Mingdao; Tao, Tao; Song, Mingxia; Zhang, Chaozhi
2015-02-28
We have combined the quantum dissipative theory and the time dependent density functional theory to perform the first principle calculation of laser induced quantum dynamical electron transport through a molecule weak bridged to two electrodes. The formalism of hierarchical equations of motion based on non-equilibrium Green’s function theory has been taken in this work. Numerical simulations of optical absorption spectra of benzene, laser induced transient current without and with bias, charge pumping effect, as well as the spectrum analysis from the current in Au-benzene-Au molecular junction are presented and discussed.
Ciraolo, Giulio Gargano, Francesco Sciacca, Vincenzo
2013-08-01
We study a new approach to the problem of transparent boundary conditions for the Helmholtz equation in unbounded domains. Our approach is based on the minimization of an integral functional arising from a volume integral formulation of the radiation condition. The index of refraction does not need to be constant at infinity and may have some angular dependency as well as perturbations. We prove analytical results on the convergence of the approximate solution. Numerical examples for different shapes of the artificial boundary and for non-constant indexes of refraction will be presented.
Guo, Shimin Mei, Liquan; Zhang, Zhengqiang
2015-05-15
Nonlinear propagation of ion-acoustic waves is investigated in a one-dimensional, unmagnetized plasma consisting of positive ions, negative ions, and nonthermal electrons featuring Tsallis distribution that is penetrated by a negative-ion-beam. The classical Gardner equation is derived to describe nonlinear behavior of ion-acoustic waves in the considered plasma system via reductive perturbation technique. We convert the classical Gardner equation into the time-fractional Gardner equation by Agrawal's method, where the time-fractional term is under the sense of Riesz fractional derivative. Employing variational iteration method, we construct solitary wave solutions of the time-fractional Gardner equation with initial condition which depends on the nonlinear and dispersion coefficients. The effect of the plasma parameters on the compressive and rarefactive ion-acoustic solitary waves is also discussed in detail.
Goffin, Mark A.; Baker, Christopher M.J.; Buchan, Andrew G.; Pain, Christopher C.; Eaton, Matthew D.; Smith, Paul N.
2013-06-01
This article presents a method for goal-based anisotropic adaptive methods for the finite element method applied to the Boltzmann transport equation. The neutron multiplication factor, k{sub eff}, is used as the goal of the adaptive procedure. The anisotropic adaptive algorithm requires error measures for k{sub eff} with directional dependence. General error estimators are derived for any given functional of the flux and applied to k{sub eff} to acquire the driving force for the adaptive procedure. The error estimators require the solution of an appropriately formed dual equation. Forward and dual error indicators are calculated by weighting the Hessian of each solution with the dual and forward residual respectively. The Hessian is used as an approximation of the interpolation error in the solution which gives rise to the directional dependence. The two indicators are combined to form a single error metric that is used to adapt the finite element mesh. The residual is approximated using a novel technique arising from the sub-grid scale finite element discretisation. Two adaptive routes are demonstrated: (i) a single mesh is used to solve all energy groups, and (ii) a different mesh is used to solve each energy group. The second method aims to capture the benefit from representing the flux from each energy group on a specifically optimised mesh. The k{sub eff} goal-based adaptive method was applied to three examples which illustrate the superior accuracy in criticality problems that can be obtained.
Steady-state benchmarks of DK4D: A time-dependent, axisymmetric drift-kinetic equation solver
Lyons, B. C.; Jardin, S. C.; Ramos, J. J.
2015-05-15
The DK4D code has been written to solve a set of time-dependent, axisymmetric, finite-Larmor-radius drift-kinetic equations (DKEs) for the non-Maxwellian part of the electron and ion distribution functions using the full, linearized Fokker–Planck–Landau collision operator. The plasma is assumed to be in the low- to finite-collisionality regime, as is found in the cores of modern and future magnetic confinement fusion experiments. Each DKE is formulated such that the perturbed distribution function carries no net density, parallel momentum, or kinetic energy. Rather, these quantities are contained within the background Maxwellians and would be evolved by an appropriate set of extended magnetohydrodynamic (MHD) equations. This formulation allows for straight-forward coupling of DK4D to existing extended MHD time evolution codes. DK4D uses a mix of implicit and explicit temporal representations and finite element and spectral spatial representations. These, along with other computational methods used, are discussed extensively. Steady-state benchmarks are then presented comparing the results of DK4D to expected analytic results at low collisionality, qualitatively, and to the Sauter analytic fits for the neoclassical conductivity and bootstrap current, quantitatively. These benchmarks confirm that DK4D is capable of solving for the correct, gyroaveraged distribution function in stationary magnetic equilibria. Furthermore, the results presented demonstrate how the exact drift-kinetic solution varies with collisionality as a function of the magnetic moment and the poloidal angle.
A spectral mimetic least-squares method for the Stokes equations with no-slip boundary condition
Gerritsma, Marc; Bochev, Pavel
2016-03-22
Formulation of locally conservative least-squares finite element methods (LSFEMs) for the Stokes equations with the no-slip boundary condition has been a long standing problem. Existing LSFEMs that yield exactly divergence free velocities require non-standard boundary conditions (Bochev and Gunzburger, 2009 [3]), while methods that admit the no-slip condition satisfy the incompressibility equation only approximately (Bochev and Gunzburger, 2009 [4, Chapter 7]). Here we address this problem by proving a new non-standard stability bound for the velocity–vorticity–pressure Stokes system augmented with a no-slip boundary condition. This bound gives rise to a norm-equivalent least-squares functional in which the velocity can be approximatedmore » by div-conforming finite element spaces, thereby enabling a locally-conservative approximations of this variable. Here, we also provide a practical realization of the new LSFEM using high-order spectral mimetic finite element spaces (Kreeft et al., 2011) and report several numerical tests, which confirm its mimetic properties.« less
Kashiwa, B. A.
2010-12-01
Abstract A thermodynamically consistent and fully general equationof state (EOS) for multifield applications is described. EOS functions are derived from a Helmholtz free energy expressed as the sum of thermal (fluctuational) and collisional (condensedphase) contributions; thus the free energy is of the MieGruneisen1 form. The phasecoexistence region is defined using a parameterized saturation curve by extending the form introduced by Guggenheim,2 which scales the curve relative to conditions at the critical point. We use the zerotemperature condensedphase contribution developed by Barnes,3 which extends the ThomasFermiDirac equation to zero pressure. Thus, the functional form of the EOS could be called MGGB (for Mie GruneisenGuggenheimBarnes). Substancespecific parameters are obtained by fitting the lowdensity energy to data from the Sesame4 library; fitting the zerotemperature pressure to the Sesame cold curve; and fitting the saturation curve and latent heat to laboratory data,5 if available. When suitable coexistence data, or Sesame data, are not available, then we apply the Principle of Corresponding States.2 Thus MGGB can be thought of as a numerical recipe for rendering the tabular Sesame EOS data in an analytic form that includes a proper coexistence region, and which permits the accurate calculation of derivatives associated with compressibility, expansivity, Joule coefficient, and specific heat, all of which are required for multifield applications. 1
Sun, Wen-Rong; Tian, Bo Jiang, Yan; Zhen, Hui-Ling
2014-04-15
Plasmas are the main constituent of the Universe and the cause of a vast variety of astrophysical, space and terrestrial phenomena. The inhomogeneous nonlinear Schrödinger equation is hereby investigated, which describes the propagation of an electron plasma wave packet with a large wavelength and small amplitude in a medium with a parabolic density and constant interactional damping. By virtue of the double Wronskian identities, the equation is proved to possess the double-Wronskian soliton solutions. Analytic one- and two-soliton solutions are discussed. Amplitude and velocity of the soliton are related to the damping coefficient. Asymptotic analysis is applied for us to investigate the interaction between the two solitons. Overtaking interaction, head-on interaction and bound state of the two solitons are given. From the non-zero potential Lax pair, the first- and second-order rogue-wave solutions are constructed via a generalized Darboux transformation, and influence of the linear and parabolic density profiles on the background density and amplitude of the rogue wave is discussed. -- Highlights: •Double-Wronskian soliton solutions are obtained and proof is finished by virtue of some double Wronskian identities. •Asymptotic analysis is applied for us to investigate the interaction between the two solitons. •First- and second-order rogue-wave solutions are constructed via a generalized Darboux transformation. •Influence of the linear and parabolic density profiles on the background density and amplitude of the rogue wave is discussed.
Noronha, Jorge; Denicol, Gabriel S.
2015-12-30
In this paper we obtain an analytical solution of the relativistic Boltzmann equation under the relaxation time approximation that describes the out-of-equilibrium dynamics of a radially expanding massless gas. This solution is found by mapping this expanding system in flat spacetime to a static flow in the curved spacetime AdS2 Ⓧ S2. We further derive explicit analytic expressions for the momentum dependence of the single-particle distribution function as well as for the spatial dependence of its moments. We find that this dissipative system has the ability to flow as a perfect fluid even though its entropy density does not matchmore » the equilibrium form. The nonequilibrium contribution to the entropy density is shown to be due to higher-order scalar moments (which possess no hydrodynamical interpretation) of the Boltzmann equation that can remain out of equilibrium but do not couple to the energy-momentum tensor of the system. Furthermore, in this system the slowly moving hydrodynamic degrees of freedom can exhibit true perfect fluidity while being totally decoupled from the fast moving, nonhydrodynamical microscopic degrees of freedom that lead to entropy production.« less
Dyall, K.G.
1997-06-01
The introduction of relativistic terms into the nonrelativistic all-electron Schr{umlt o}dinger equation is achieved by the method of normalized elimination of the small component (ESC) within the matrix representation of the modified Dirac equation. In contrast to the usual method of ESC, the method presented retains the correct relativistic normalization, and permits the construction of a single matrix relating the large and small component coefficient matrices for an entire set of positive energy one-particle states, thus enabling the whole set to be obtained with a single diagonalization. This matrix is used to define a modified set of one- and two-electron integrals which have the same appearance as the nonrelativistic integrals, and to which they reduce in the limit {alpha}{r_arrow}0. The normalized method corresponds to a projection of the Dirac{endash}Fock matrix onto the positive energy states. Inclusion of the normalization reduces the discrepancy between the eigenvalues of the ESC approach and the Dirac eigenvalues for a model problem from order {alpha}{sup 2} to order {alpha}{sup 4}, providing a closer approximation to the original, uneliminated solutions. The transition between the nonrelativistic and relativistic limits is achieved by simply scaling the fine structure constant {alpha}. {copyright} {ital 1997 American Institute of Physics.}
Pelanti, Marica; Shyue, Keh-Ming
2014-02-15
We model liquidgas flows with cavitation by a variant of the six-equation single-velocity two-phase model with stiff mechanical relaxation of SaurelPetitpasBerry (Saurel et al., 2009) [9]. In our approach we employ phasic total energy equations instead of the phasic internal energy equations of the classical six-equation system. This alternative formulation allows us to easily design a simple numerical method that ensures consistency with mixture total energy conservation at the discrete level and agreement of the relaxed pressure at equilibrium with the correct mixture equation of state. Temperature and Gibbs free energy exchange terms are included in the equations as relaxation terms to model heat and mass transfer and hence liquidvapor transition. The algorithm uses a high-resolution wave propagation method for the numerical approximation of the homogeneous hyperbolic portion of the model. In two dimensions a fully-discretized scheme based on a hybrid HLLC/Roe Riemann solver is employed. Thermo-chemical terms are handled numerically via a stiff relaxation solver that forces thermodynamic equilibrium at liquidvapor interfaces under metastable conditions. We present numerical results of sample tests in one and two space dimensions that show the ability of the proposed model to describe cavitation mechanisms and evaporation wave dynamics.
Huang, Lei; Zuo, Chao; Idir, Mourad; Qu, Weijuan; Asundi, Anand
2015-04-21
A novel transport-of-intensity equation (TIE) based phase retrieval method is proposed with putting an arbitrarily-shaped aperture into the optical wavefield. In this arbitrarily-shaped aperture, the TIE can be solved under non-uniform illuminations and even non-homogeneous boundary conditions by iterative discrete cosine transforms with a phase compensation mechanism. Simulation with arbitrary phase, arbitrary aperture shape, and non-uniform intensity distribution verifies the effective compensation and high accuracy of the proposed method. Experiment is also carried out to check the feasibility of the proposed method in real measurement. Comparing to the existing methods, the proposed method is applicable for any types of phasemore » distribution under non-uniform illumination and non-homogeneous boundary conditions within an arbitrarily-shaped aperture, which enables the technique of TIE with hard aperture become a more flexible phase retrieval tool in practical measurements.« less
Zaug, J M; Bastea, S; Crowhurst, J; Armstrong, M; Fried, L; Teslich, N
2010-03-09
Elucidation of geodynamic, geochemical, and shock induced processes is limited by challenges to accurately determine molecular fluid equations of state (EOS). High pressure liquid state reactions of carbon species underlie physiochemical mechanisms such as differentiation of planetary interiors, deep carbon sequestration, propellant deflagration, and shock chemistry. In this proceedings paper we introduce a versatile photoacoustic technique developed to measure accurate and precise speeds of sound (SoS) of high pressure molecular fluids and fluid mixtures. SoS of an intermediate boron oxide, HBO{sub 2} are measured up to 0.5 GPa along the 277 C isotherm. A polarized exponential-6 interatomic potential form, parameterized using our SoS data, enables EOS determinations and corresponding semi-empirical evaluations of >2000 C thermodynamic states including energy release from bororganic formulations. Our thermochemical model propitiously predicts boronated hydrocarbon shock Hugoniot results.
Zhao, Renjie; Evans, James W.; Oliveira, Tiago J.
2016-04-08
Here, a discrete version of deposition-diffusion equations appropriate for description of step flow on a vicinal surface is analyzed for a two-dimensional grid of adsorption sites representing the stepped surface and explicitly incorporating kinks along the step edges. Model energetics and kinetics appropriately account for binding of adatoms at steps and kinks, distinct terrace and edge diffusion rates, and possible additional barriers for attachment to steps. Analysis of adatom attachment fluxes as well as limiting values of adatom densities at step edges for nonuniform deposition scenarios allows determination of both permeability and kinetic coefficients. Behavior of these quantities is assessedmore » as a function of key system parameters including kink density, step attachment barriers, and the step edge diffusion rate.« less
Hou, Dong; Xu, RuiXue; Zheng, Xiao; Wang, Shikuan; Wang, Rulin; Ye, LvZhou; Yan, YiJing
2015-03-14
Several recent advancements for the hierarchical equations of motion (HEOM) approach are reported. First, we propose an a priori estimate for the optimal number of basis functions for the reservoir memory decomposition. Second, we make use of the sparsity of auxiliary density operators (ADOs) and propose two ansatzs to screen out all the intrinsic zero ADO elements. Third, we propose a new truncation scheme by utilizing the time derivatives of higher-tier ADOs. These novel techniques greatly reduce the memory cost of the HEOM approach, and thus enhance its efficiency and applicability. The improved HEOM approach is applied to simulate the coherent dynamics of Aharonov–Bohm double quantum dot interferometers. Quantitatively accurate dynamics is obtained for both noninteracting and interacting quantum dots. The crucial role of the quantum phase for the magnitude of quantum coherence and quantum entanglement is revealed.
Perrochet, P.; Berod, D. )
1993-09-01
A stability analysis of the classical Crank-Nicolson-Galerkin (CNG) scheme applied to the one-dimensional solute transport equation is proposed on the basis of two fairly different approaches. Using a space-time eigenvalue analysis, it is shown, at least for subsurface hydrology applications, that the CNG scheme is theoretically stable under the condition PeCr [le] 2, where Pe and Cr are the mesh Peclet and Courant numbers. Then, to assess the computational stability of the scheme, the amplification matrix is constructed, and its norm is displayed in the (Pe, Cr) space. The results indicate that the norm of the amplification matrix is never smaller than unity and exhibits a hyperbolic nature analogous to the above theoretical condition. 21 refs., 2 figs.
Vapor-liquid equilibria for an R134a/lubricant mixture: Measurements and equation-of-state modeling
Huber, M.L.; Holcomb, C.D.; Outcalt, S.L.; Elliott, J.R.
2000-07-01
The authors measured bubble point pressures and coexisting liquid densities for two mixtures of R-134a and a polyolester (POE) lubricant. The mass fraction of the lubricant was approximately 9% and 12%, and the temperature ranged from 280 K to 355 K. The authors used the Elliott, Suresh, and Donohue (ESD) equation of state to model the bubble point pressure data. The bubble point pressures were represented with an average absolute deviation of 2.5%. A binary interaction parameter reduced the deviation to 1.4%. The authors also applied the ESD model to other R-134a/POE lubricant data in the literature. As the concentration of the lubricant increased, the performance of the model deteriorated markedly. However, the use of a single binary interaction parameter reduced the deviations significantly.
Larson, N. M.; Perey, F. G.
1980-11-01
A method is described for determining the parameters of a model from experimental data based upon the utilization of Bayes' theorem. This method has several advantages over the least-squares method as it is commonly used; one important advantage is that the assumptions under which the parameter values have been determined are more clearly evident than in many results based upon least squares. Bayes' method has been used to develop a computer code which can be utilized to analyze neutron cross-section data by means of the R-matrix theory. The required formulae from the R-matrix theory are presented, and the computer implementation of both Bayes' equations and R-matrix theory is described. Details about the computer code and compelte input/output information are given.
Kumar, Hitender; Malik, Anand; Chand, Fakir
2012-10-15
We obtain exact spatiotemporal periodic traveling wave solutions to the generalized (3+1)-dimensional cubic-quintic nonlinear Schroedinger equation with spatial distributed coefficients. For restrictive parameters, these periodic wave solutions acquire the form of localized spatial solitons. Such solutions exist under certain conditions, and impose constraints on the functions describing dispersion, nonlinearity, and gain (or loss). We then demonstrate the nonlinear tunneling effects and controllable compression technique of three-dimensional bright and dark solitons when they pass unchanged through the potential barriers and wells affected by special choices of the diffraction and/or the nonlinearity parameters. Direct numerical simulation has been performed to show the stable propagation of bright soliton with 5% white noise perturbation.
Saeed, R.; Shah, Asif; Noaman-ul-Haq, Muhammad
2010-10-15
The nonlinear propagation of ion-acoustic solitons in relativistic electron-positron-ion plasma comprising of Boltzmannian electrons, positrons, and relativistic thermal ions has been examined. The Korteweg-de Vries equation has been derived by reductive perturbation technique. The effect of various plasma parameters on amplitude and structure of solitary wave is investigated. The pert graphical view of the results has been presented for illustration. It is observed that increase in the relativistic streaming factor causes the soliton amplitude to thrive and its width shrinks. The soliton amplitude and width decline as the ion to electron temperature ratio is increased. The increase in positron concentration results in reduction of soliton amplitude. The soliton amplitude enhances as the electron to positron temperature ratio is increased. Our results may have relevance in the understanding of astrophysical plasmas.
Hu, Matej; Urbic, Tomaz; Muna, Gianmarco
2014-10-28
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. 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.
Ticknor, Christopher; Collins, Lee A.; Kress, Joel D.
2015-08-04
We present simulations of a four component mixture of HCNO with orbital free molecular dynamics (OFMD). These simulations were conducted for 5–200 eV with densities ranging between 0.184 and 36.8 g/cm3. We extract the equation of state from the simulations and compare to average atom models. We found that we only need to add a cold curve model to find excellent agreement. In addition, we studied mass transport properties. We present fits to the self-diffusion and shear viscosity that are able to reproduce the transport properties over the parameter range studied. We compare these OFMD results to models based onmore » the Coulomb coupling parameter and one-component plasmas.« less
Ticknor, Christopher; Collins, Lee A.; Kress, Joel D.
2015-08-04
We present simulations of a four component mixture of HCNO with orbital free molecular dynamics (OFMD). These simulations were conducted for 5–200 eV with densities ranging between 0.184 and 36.8 g/cm^{3}. We extract the equation of state from the simulations and compare to average atom models. We found that we only need to add a cold curve model to find excellent agreement. In addition, we studied mass transport properties. We present fits to the self-diffusion and shear viscosity that are able to reproduce the transport properties over the parameter range studied. We compare these OFMD results to models based on the Coulomb coupling parameter and one-component plasmas.
Pawlowski, Roger P.; Phipps, Eric T.; Salinger, Andrew G.; Owen, Steven J.; Siefert, Christopher M.; Staten, Matthew L.
2012-01-01
A template-based generic programming approach was presented in Part I of this series of papers [Sci. Program. 20 (2012), 197–219] that separates the development effort of programming a physical model from that of computing additional quantities, such as derivatives, needed for embedded analysis algorithms. In this paper, we describe the implementation details for using the template-based generic programming approach for simulation and analysis of partial differential equations (PDEs). We detail several of the hurdles that we have encountered, and some of the software infrastructure developed to overcome them. We end with a demonstration where we present shape optimization and uncertaintymore » quantification results for a 3D PDE application.« less
Ticknor, Christopher; Collins, Lee A.; Kress, Joel D.
2015-08-04
We present simulations of a four component mixture of HCNO with orbital free molecular dynamics (OFMD). These simulations were conducted for 5200 eV with densities ranging between 0.184 and 36.8 g/cm^{3}. We extract the equation of state from the simulations and compare to average atom models. We found that we only need to add a cold curve model to find excellent agreement. In addition, we studied mass transport properties. We present fits to the self-diffusion and shear viscosity that are able to reproduce the transport properties over the parameter range studied. We compare these OFMD results to models based on the Coulomb coupling parameter and one-component plasmas.
Brodsky, Stanley J.; de Teramond, Guy F.; Deur, Alexandre P.; Dosch, Hans G.
2015-09-01
The valence Fock-state wavefunctions of the light-front QCD Hamiltonian satisfy a relativistic equation of motion with an effective confining potential U which systematically incorporates the effects of higher quark and gluon Fock states. If one requires that the effective action which underlies the QCD Lagrangian remains conformally invariant and extends the formalism of de Alfaro, Fubini and Furlan to light front Hamiltonian theory, the potential U has a unique form of a harmonic oscillator potential, and a mass gap arises. The result is a nonperturbative relativistic light-front quantum mechanical wave equation which incorporates color confinement and other essential spectroscopic and dynamical features of hadron physics, including a massless pion for zero quark mass and linear Regge trajectories with the same slope in the radial quantum number n and orbital angular momentum L. Only one mass parameter κ appears. Light-front holography thus provides a precise relation between the bound-state amplitudes in the fifth dimension of AdS space and the boost-invariant light-front wavefunctions describing the internal structure of hadrons in physical space-time. We also show how the mass scale κ underlying confinement and hadron masses determines the scale ΛMS¯¯¯¯ controlling the evolution of the perturbative QCD coupling. The relation between scales is obtained by matching the nonperturbative dynamics, as described by an effective conformal theory mapped to the light-front and its embedding in AdS space, to the perturbative QCD regime computed to four-loop order. The result is an effective coupling defined at all momenta. The predicted value ΛMS¯¯¯¯=0.328±0.034 GeV is in agreement with the world average 0.339±0.010 GeV. The analysis applies to any renormalization scheme.
Astrakharchik, G. E.; Boronat, J.; Casulleras, J.; Kurbakov, I. L.; Lozovik, Yu. E.
2009-05-15
The equation of state of a weakly interacting two-dimensional Bose gas is studied at zero temperature by means of quantum Monte Carlo methods. Going down to as low densities as na{sup 2}{proportional_to}10{sup -100} permits us to obtain agreement on beyond mean-field level between predictions of perturbative methods and direct many-body numerical simulation, thus providing an answer to the fundamental question of the equation of state of a two-dimensional dilute Bose gas in the universal regime (i.e., entirely described by the gas parameter na{sup 2}). We also show that the measure of the frequency of a breathing collective oscillation in a trap at very low densities can be used to test the universal equation of state of a two-dimensional Bose gas.
Prayitno, T. B.
2014-03-24
We have imposed the conditions in order to preserve the real-valued partition function in the case of onedimensional Gross-Pitaevskii equation coupled by time-dependent potential. In this case we have solved the Gross-Pitaevskii equation by means of the time-dependent perturbation theory by extending the previous work of Kivshar et al. [Phys. Lett A 278, 225–230 (2001)]. To use the method, we have treated the equation as the macroscopic quantum oscillator and found that the expression of the partition function explicitly has complex values. In fact, we have to choose not only the appropriate functions but also the suitable several values of the potential to keep the real-valued partition function.
Lin, Yangzheng; Cohen, Ronald E.; Stackhouse, Stephen; Driver, Kevin P.; Militzer, Burkhard; Shulenburger, Luke; Kim, Jeongnim
2014-11-10
In this study, we have performed quantum Monte Carlo (QMC) simulations and density functional theory calculations to study the equations of state of MgSiO_{3} perovskite (Pv, bridgmanite) and post-perovskite (PPv) up to the pressure and temperature conditions of the base of Earth's lower mantle. The ground-state energies were derived using QMC simulations and the temperature-dependent Helmholtz free energies were calculated within the quasiharmonic approximation and density functional perturbation theory. The equations of state for both phases of MgSiO_{3} agree well with experiments, and better than those from generalized gradient approximation calculations. The Pv-PPv phase boundary calculated from our QMC equations of state is also consistent with experiments, and better than previous local density approximation calculations. Lastly, we discuss the implications for double crossing of the Pv-PPv boundary in the Earth.
Fenili, Andr; Lopes Rebello da Fonseca Brasil, Reyolando Manoel
2014-12-10
We derive nonlinear governing equations without assuming that the beam is inextensible. The derivation couples the equations that govern a weak electric motor, which is used to rotate the base of the beam, to those that govern the motion of the beam. The system is considered non-ideal in the sense that the response of the motor to an applied voltage and the motion of the beam must be obtained interactively. The moment that the motor exerts on the base of the beam cannot be determined without solving for the motion of the beam.
Guzik, J.A.; Swenson, F.J.
1997-12-01
We compare the thermodynamic and helioseismic properties of solar models evolved using three different equation of state (EOS) treatments: the Mihalas, D{umlt a}ppen & Hummer EOS tables (MHD); the latest Rogers, Swenson, & Iglesias EOS tables (OPAL), and a new analytical EOS (SIREFF) developed by Swenson {ital et al.} All of the models include diffusive settling of helium and heavier elements. The models use updated OPAL opacity tables based on the 1993 Grevesse & Noels solar element mixture, incorporating 21 elements instead of the 14 elements used for earlier tables. The properties of solar models that are evolved with the SIREFF EOS agree closely with those of models evolved using the OPAL or MHD tables. However, unlike the MHD or OPAL EOS tables, the SIREFF in-line EOS can readily account for variations in overall Z abundance and the element mixture resulting from nuclear processing and diffusive element settling. Accounting for Z abundance variations in the EOS has a small, but non-negligible, effect on model properties (e.g., pressure or squared sound speed), as much as 0.2{percent} at the solar center and in the convection zone. The OPAL and SIREFF equations of state include electron exchange, which produces models requiring a slightly higher initial helium abundance, and increases the convection zone depth compared to models using the MHD EOS. However, the updated OPAL opacities are as much as 5{percent} lower near the convection zone base, resulting in a small decrease in convection zone depth. The calculated low-degree nonadiabatic frequencies for all of the models agree with the observed frequencies to within a few microhertz (0.1{percent}). The SIREFF analytical calibrations are intended to work over a wide range of interior conditions found in stellar models of mass greater than 0.25M{sub {circle_dot}} and evolutionary states from pre-main-sequence through the asymptotic giant branch (AGB). It is significant that the SIREFF EOS produces solar models
St Aubin, J. Keyvanloo, A.; Fallone, B. G.; Vassiliev, O.
2015-02-15
Purpose: Accurate radiotherapy dose calculation algorithms are essential to any successful radiotherapy program, considering the high level of dose conformity and modulation in many of todays treatment plans. As technology continues to progress, such as is the case with novel MRI-guided radiotherapy systems, the necessity for dose calculation algorithms to accurately predict delivered dose in increasingly challenging scenarios is vital. To this end, a novel deterministic solution has been developed to the first order linear Boltzmann transport equation which accurately calculates x-ray based radiotherapy doses in the presence of magnetic fields. Methods: The deterministic formalism discussed here with the inclusion of magnetic fields is outlined mathematically using a discrete ordinates angular discretization in an attempt to leverage existing deterministic codes. It is compared against the EGSnrc Monte Carlo code, utilizing the emf-macros addition which calculates the effects of electromagnetic fields. This comparison is performed in an inhomogeneous phantom that was designed to present a challenging calculation for deterministic calculations in 0, 0.6, and 3 T magnetic fields oriented parallel and perpendicular to the radiation beam. The accuracy of the formalism discussed here against Monte Carlo was evaluated with a gamma comparison using a standard 2%/2 mm and a more stringent 1%/1 mm criterion for a standard reference 10 10 cm{sup 2} field as well as a smaller 2 2 cm{sup 2} field. Results: Greater than 99.8% (94.8%) of all points analyzed passed a 2%/2 mm (1%/1 mm) gamma criterion for all magnetic field strengths and orientations investigated. All dosimetric changes resulting from the inclusion of magnetic fields were accurately calculated using the deterministic formalism. However, despite the algorithms high degree of accuracy, it is noticed that this formalism was not unconditionally stable using a discrete ordinate angular discretization
Subotnik, Joseph E. Ouyang, Wenjun; Landry, Brian R.
2013-12-07
In this article, we demonstrate that Tully's fewest-switches surface hopping (FSSH) algorithm approximately obeys the mixed quantum-classical Liouville equation (QCLE), provided that several conditions are satisfied some major conditions, and some minor. The major conditions are: (1) nuclei must be moving quickly with large momenta; (2) there cannot be explicit recoherences or interference effects between nuclear wave packets; (3) force-based decoherence must be added to the FSSH algorithm, and the trajectories can no longer rigorously be independent (though approximations for independent trajectories are possible). We furthermore expect that FSSH (with decoherence) will be most robust when nonadiabatic transitions in an adiabatic basis are dictated primarily by derivative couplings that are presumably localized to crossing regions, rather than by small but pervasive off-diagonal force matrix elements. In the end, our results emphasize the strengths of and possibilities for the FSSH algorithm when decoherence is included, while also demonstrating the limitations of the FSSH algorithm and its inherent inability to follow the QCLE exactly.
Wirtz, Ludger; Reinhold, Carlos O.; Lemell, Christoph
2003-01-01
We present a simulation of the neutralization of highly charged ions in front of a lithium fluoride surface including the close-collision regime above the surface. The present approach employs a Monte Carlo solution of the Liouville master equation for the joint probability density of the ionic motion and the electronic population of the projectile and the target surface. It includes single as well as double particle-hole (de)excitation processes and incorporates electron correlation effects through the conditional dynamics of population strings. The input in terms of elementary one- and two-electron transfer rates is determined from classical trajectory Monte Carlo calculations as well as quantum-mechanical Auger calculations. For slow projectiles and normal incidence, the ionic motion depends sensitively on the interplay between image acceleration towards the surface and repulsion by an ensemble of positive hole charges in the surface ('trampoline effect'). For Ne{sup 10+} we find that image acceleration is dominant and no collective backscattering high above the surface takes place. For grazing incidence, our simulation delineates the pathways to complete neutralization. In accordance with recent experimental observations, most ions are reflected as neutral or even as singly charged negative particles, irrespective of the charge state of the incoming ions.
Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling
Wang, Zhifan; Hu, Shu; Guo, Jingwei; Wang, Fan
2015-04-14
In this work, we report implementation of the equation-of-motion coupled-cluster method for doubly ionized states (EOM-DIP-CC) with spin-orbit coupling (SOC) using a closed-shell reference. Double ionization potentials (DIPs) are calculated in the space spanned by 2h and 3h1p determinants with the EOM-DIP-CC approach at the CC singles and doubles level (CCSD). Time-reversal symmetry together with spatial symmetry is exploited to reduce computational effort. To circumvent the problem of unstable dianion references when diffuse basis functions are included, nuclear charges are scaled. Effect of this stabilization potential on DIPs is estimated based on results from calculations using a small basis set without diffuse basis functions. DIPs and excitation energies of some low-lying states for a series of open-shell atoms and molecules containing heavy elements with two unpaired electrons have been calculated with the EOM-DIP-CCSD approach. Results show that this approach is able to afford a reliable description on SOC splitting. Furthermore, the EOM-DIP-CCSD approach is shown to provide reasonable excitation energies for systems with a dianion reference when diffuse basis functions are not employed.
Ostermann, Lars; Seidel, Christian
2015-03-10
The numerical analysis of hydro power stations is an important method of the hydraulic design and is used for the development and optimisation of hydro power stations in addition to the experiments with the physical submodel of a full model in the hydraulic laboratory. For the numerical analysis, 2D and 3D models are appropriate and commonly used.The 2D models refer mainly to the shallow water equations (SWE), since for this flow model a large experience on a wide field of applications for the flow analysis of numerous problems in hydraulic engineering already exists. Often, the flow model is verified by in situ measurements. In order to consider 3D flow phenomena close to singularities like weirs, hydro power stations etc. the development of a hybrid fluid model is advantageous to improve the quality and significance of the global model. Here, an extended hybrid flow model based on the principle of the SWE is presented. The hybrid flow model directly links the numerical model with the experimental data, which may originate from physical full models, physical submodels and in-situ measurements. Hence a wide field of application of the hybrid model emerges including the improvement of numerical models and the strong coupling of numerical and experimental analysis.
Pan, Wenxiao; Daily, Michael; Baker, Nathan A.
2015-05-07
Background: The calculation of diffusion-controlled ligand binding rates is important for understanding enzyme mechanisms as well as designing enzyme inhibitors. Methods: We demonstrate the accuracy and effectiveness of a Lagrangian particle-based method, smoothed particle hydrodynamics (SPH), to study diffusion in biomolecular systems by numerically solving the time-dependent Smoluchowski equation for continuum diffusion. Unlike previous studies, a reactive Robin boundary condition (BC), rather than the absolute absorbing (Dirichlet) BC, is considered on the reactive boundaries. This new BC treatment allows for the analysis of enzymes with imperfect reaction rates. Results: The numerical method is first verified in simple systems and then applied to the calculation of ligand binding to a mouse acetylcholinesterase (mAChE) monomer. Rates for inhibitor binding to mAChE are calculated at various ionic strengths and compared with experiment and other numerical methods. We find that imposition of the Robin BC improves agreement between calculated and experimental reaction rates. Conclusions: Although this initial application focuses on a single monomer system, our new method provides a framework to explore broader applications of SPH in larger-scale biomolecular complexes by taking advantage of its Lagrangian particle-based nature.