Pressure effect on grain boundary diffusion

International Nuclear Information System (INIS)

Smirnova, E.S.; Chuvil'deev, V.N.

1997-01-01

The influence of hydrostatic pressure on grain boundary diffusion and grain boundary migration in metallic materials is theoretically investigated. The model is suggested that permits describing changes in activation energy of grain boundary self-diffusion and diffusion permeability of grain boundaries under hydrostatic pressure. The model is based on the ideas about island-type structure of grain boundaries as well as linear relationship of variations in grain boundary free volume to hydrostatic pressure value. Comparison of theoretical data with experimental ones for a number of metals and alloys (α-Zr, Sn-Ge, Cu-In with Co, In, Al as diffusing elements) shows a qualitative agreement

External boundary effects on simultaneous diffusion and reaction processes

International Nuclear Information System (INIS)

Le Roux, M.N.; Wilhelmsson, H.

1989-01-01

External boundaries influence the spatial and temporal structure of evolution of dynamic systems governed by reaction-diffusion equations. Critical limits, i.e. thresholds for explosive growth or onset of diffusion dominated decay, are found to be caused by the presence of the boundary and to depend on: the position of the boundary, where the density is assumed to be zero at any instant of time: the mutual weights (coefficients) and powers of the nonlinear reaction and diffusion processes; and the initial spatial distribution. However, for particular relations between the nonlinear powers of the reaction and diffusion terms the critical limits do not depend on the initial conditions. The results are obtained by simulation experiment for one, two and three dimensions. Trends in the dynamic evolution of the system with an external boundary imposed are compared with the corresponding analytic results obtained for free boundary. Interesting applications are found in various areas, e.g. in the field of high temperature fusion plasma where the evolution of the temperature profile for the so-called H-mode (constant plasma density) is described

Calculation of accurate albedo boundary conditions for three-dimensional nodal diffusion codes by the method of characteristics

International Nuclear Information System (INIS)

Petkov, Petko T.

2000-01-01

Most of the few-group three-dimensional nodal diffusion codes used for neutronics calculations of the WWER reactors use albedo type boundary conditions on the core-reflector boundary. The conventional albedo are group-to-group reflection probabilities, defined on each outer node face. The method of characteristics is used to calculate accurate albedo by the following procedure. A many-group two-dimensional heterogeneous core-reflector problem, including a sufficient part of the core and detailed description of the adjacent reflector, is solved first. From this solution the angular flux on the core-reflector boundary is calculated in all groups for all traced neutron directions. Accurate boundary conditions can be calculated for the radial, top and bottom reflectors as well as for the absorber part of the WWER-440 reactor control assemblies. The algorithm can be used to estimate also albedo, coupling outer node faces on the radial reflector in the axial direction. Numerical results for the WWER-440 reactor are presented. (Authors)

Proof of existence of global solutions for m-component reaction-diffusion systems with mixed boundary conditions via the Lyapunov functional method

International Nuclear Information System (INIS)

Abdelmalek, Salem; Kouachi, Said

2007-01-01

To prove global existence for solutions of m-component reaction-diffusion systems presents fundamental difficulties in the case in which some components of the system satisfy Neumann boundary conditions while others satisfy nonhomogeneous Dirichlet boundary conditions and nonhomogeneous Robin boundary conditions. The purpose of this paper is to prove the existence of a global solution using a single inequality for the polynomial growth condition of the reaction terms. Our technique is based on the construction of polynomial functionals. This result generalizes those obtained recently by Kouachi et al (at press), Kouachi (2002 Electron. J. Diff. Eqns 2002 1), Kouachi (2001 Electron. J. Diff. Eqns 2001 1) and independently by Malham and Xin (1998 Commun. Math. Phys. 193 287)

Diffusive Fractionation of Lithium Isotopes in Olivine Grain Boundaries

Science.gov (United States)

Homolova, V.; Watson, E. B.

2012-12-01

Diffusive fractionation of isotopes has been documented in silicate melts, aqueous fluids, and single crystals. In polycrystalline rocks, the meeting place of two grains, or grain boundaries, may also be a site of diffusive fractionation of isotopes. We have undertaken an experimental and modeling approach to investigate diffusive fractionation of lithium (Li) isotopes by grain boundary diffusion. The experimental procedure consists of packing a Ni metal capsule with predominantly ground San Carlos olivine and subjecting the capsule to 1100C and 1GPa for two days in a piston cylinder apparatus to create a nominally dry, 'dunite rock'. After this synthesis step, the capsule is sectioned and polished. One of the polished faces of the 'dunite rock' is then juxtaposed to a source material of spodumene and this diffusion couple is subject to the same experimental conditions as the synthesis step. Li abundances and isotopic profiles (ratios of count rates) were analyzed using LA-ICP-MS. Li concentrations linearly decrease away from the source from 550ppm to the average concentration of the starting olivine (2.5ppm). As a function of distance from the source, the 7Li/6Li ratio decreases to a minimum before increasing to the background ratio of the 'dunite rock'. The 7Li/6Li ratio minimum coincides with the lowest Li concentrations above average 'dunite rock' abundances. The initial decrease in the 7Li/6Li ratio is similar to that seen in other studies of diffusive fractionation of isotopes and is thought to be caused by the higher diffusivity (D) of the lighter isotope relative to the heavier isotope. The relationship between D and mass (m) is given by (D1/D2) =(m2/m1)^β, where β is an empirical fractionation factor; 1 and 2 denote the lighter and heavier isotope, respectively. A fit to the Li isotopic data reveals an effective DLi of ~1.2x10^-12 m/s^2 and a β of 0.1. Numerical modelling was utilized to elucidate the relationship between diffusive fractionation

Trapping of diffusing particles by striped cylindrical surfaces. Boundary homogenization approach

Science.gov (United States)

Dagdug, Leonardo; Berezhkovskii, Alexander M.; Skvortsov, Alexei T.

2015-01-01

We study trapping of diffusing particles by a cylindrical surface formed by rolling a flat surface, containing alternating absorbing and reflecting stripes, into a tube. For an arbitrary stripe orientation with respect to the tube axis, this problem is intractable analytically because it requires dealing with non-uniform boundary conditions. To bypass this difficulty, we use a boundary homogenization approach which replaces non-uniform boundary conditions on the tube wall by an effective uniform partially absorbing boundary condition with properly chosen effective trapping rate. We demonstrate that the exact solution for the effective trapping rate, known for a flat, striped surface, works very well when this surface is rolled into a cylindrical tube. This is shown for both internal and external problems, where the particles diffuse inside and outside the striped tube, at three orientations of the stripe direction with respect to the tube axis: (a) perpendicular to the axis, (b) parallel to the axis, and (c) at the angle of π/4 to the axis. PMID:26093574

Diffusive boundary layers over varying topography

KAUST Repository

Dell, R.  W.; Pratt, L.  J.

2015-01-01

Diffusive bottom boundary layers can produce upslope flows in a stratified fluid. Accumulating observations suggest that these boundary layers may drive upwelling and mixing in mid-ocean ridge flank canyons. However, most studies of diffusive bottom

Moving boundary - Oxygen diffusion. Two algorithms using Landau transformation

International Nuclear Information System (INIS)

Moyano, E.A.

1991-01-01

A description is made of two algorithms which solve a mathematical model destinated for the study of one-dimensional problems with moving boundaries and implicit boundary conditions. The Landau transformation is used in both methods for each temporal level so as to work all through with the same amount of nodes. Thus, it is necessary to deal with a partial differential equation whose diffusive and convective terms are accompanied by variable coefficients. The partial differential equation is made discrete implicitly, using the Laasonen scheme -which is always stable- instead of the Crank-Nicholson scheme, as performed by Ferris and Hill (5), in the fixed time passing method. The second method employs the tridiagonal algorithm. The first algorithm uses fixed time passing and iterates with variable interface positions, that is to say, it varies δs until it satisfies the boundary condition. The mathematical model describes oxygen diffusion in live tissues. Its numerical solution is obtained by finite differences. An important application of this method could be the estimation of the radiation dose in cancerous tumor treatment. (Author) [es

Application of the Laplace transform method for the albedo boundary conditions in multigroup neutron diffusion eigenvalue problems in slab geometry

International Nuclear Information System (INIS)

Petersen, Claudio Zen; Vilhena, Marco T.; Barros, Ricardo C.

2009-01-01

In this paper the application of the Laplace transform method is described in order to determine the energy-dependent albedo matrix that is used in the boundary conditions multigroup neutron diffusion eigenvalue problems in slab geometry for nuclear reactor global calculations. In slab geometry, the diffusion albedo substitutes without approximation the baffle-reflector system around the active domain. Numerical results to typical test problems are shown to illustrate the accuracy and the efficiency of the Chebysheff acceleration scheme. (orig.)

Coupled diffusion of two species in a slab with an eroding boundary

International Nuclear Information System (INIS)

Leite, S.B.; Ozisik, M.N.; Verghese, K.

1981-01-01

The diffusion of two interchangeable species in a medium with an eroding boundary is analyzed by modeling the problem as the solution of two diffusion equations coupled at the source term for a slab with a moving boundary. Formal solutions are developed for the concentration of the two species as a function of time and position in the slab for arbitrary initial distributions of the diffusing species, arbitrary sources within the medium and boundary conditions of the third kind at the bounding surfaces. It is shown with an illustrative example, that the resulting coupled integral equations for the species can be solved very efficiently by an approach employing both a lower- and upper-bound starting function for the concentrations. (author)

Combined measurement of surface, grain boundary and lattice diffusion coefficients on olivine bi-crystals

Science.gov (United States)

Marquardt, Katharina; Dohmen, Ralf; Wagner, Johannes

2014-05-01

Diffusion along interface and grain boundaries provides an efficient pathway and may control chemical transport in rocks as well as their mechanical strength. Besides the significant relevance of these diffusion processes for various geologic processes, experimental data are still very limited (e.g., Dohmen & Milke, 2010). Most of these data were measured using polycrystalline materials and the formalism of LeClaire (1951) to fit integrated concentration depth profiles. To correctly apply this formalism, certain boundary conditions of the diffusion problem need to be fulfilled, e.g., surface diffusion is ignored, and furthermore the lattice diffusion coefficient has to be known from other studies or is an additional fitting parameter, which produces some ambiguity in the derived grain boundary diffusion coefficients. We developed an experimental setup where we can measure the lattice and grain boundary diffusion coefficients simultaneously but independent and demonstrate the relevance of surface diffusion for typical grain boundary diffusion experiments. We performed Mg2SiO4 bicrystal diffusion experiments, where a single grain boundary is covered by a thin-film of pure Ni2SiO4 acting as diffusant source, produced by pulsed laser deposition. The investigated grain boundary is a 60° (011)/[100]. This specific grain boundary configuration was modeled using molecular dynamics for comparison with the experimental observations in the transmission electron microscope (TEM). Both, experiment and model are in good agreement regarding the misorientation, whereas there are still some disagreements regarding the strain fields along the grain boundary that are of outmost importance for the strengths of the material. The subsequent diffusion experiments were carried out in the temperature range between 800° and 1450° C. The inter diffusion profiles were measured using the TEMs energy dispersive x-ray spectrometer standardized using the Cliff-Lorimer equation and EMPA

Diffusive boundary layers over varying topography

KAUST Repository

Dell, R. W.

2015-03-25

Diffusive bottom boundary layers can produce upslope flows in a stratified fluid. Accumulating observations suggest that these boundary layers may drive upwelling and mixing in mid-ocean ridge flank canyons. However, most studies of diffusive bottom boundary layers to date have concentrated on constant bottom slopes. We present a study of how diffusive boundary layers interact with various idealized topography, such as changes in bottom slope, slopes with corrugations and isolated sills. We use linear theory and numerical simulations in the regional ocean modeling system (ROMS) model to show changes in bottom slope can cause convergences and divergences within the boundary layer, in turn causing fluid exchanges that reach far into the overlying fluid and alter stratification far from the bottom. We also identify several different regimes of boundary-layer behaviour for topography with oceanographically relevant size and shape, including reversing flows and overflows, and we develop a simple theory that predicts the regime boundaries, including what topographies will generate overflows. As observations also suggest there may be overflows in deep canyons where the flow passes over isolated bumps and sills, this parameter range may be particularly significant for understanding the role of boundary layers in the deep ocean.

The determination of an unknown boundary condition in a fractional diffusion equation

KAUST Repository

Rundell, William

2013-07-01

In this article we consider an inverse boundary problem, in which the unknown boundary function ∂u/∂v = f(u) is to be determined from overposed data in a time-fractional diffusion equation. Based upon the free space fundamental solution, we derive a representation for the solution f as a nonlinear Volterra integral equation of second kind with a weakly singular kernel. Uniqueness and reconstructibility by iteration is an immediate result of a priori assumption on f and applying the fixed point theorem. Numerical examples are presented to illustrate the validity and effectiveness of the proposed method. © 2013 Copyright Taylor and Francis Group, LLC.

Galerkin methods for Boltzmann-Poisson transport with reflection conditions on rough boundaries

Science.gov (United States)

Morales Escalante, José A.; Gamba, Irene M.

2018-06-01

We consider in this paper the mathematical and numerical modeling of reflective boundary conditions (BC) associated to Boltzmann-Poisson systems, including diffusive reflection in addition to specularity, in the context of electron transport in semiconductor device modeling at nano scales, and their implementation in Discontinuous Galerkin (DG) schemes. We study these BC on the physical boundaries of the device and develop a numerical approximation to model an insulating boundary condition, or equivalently, a pointwise zero flux mathematical condition for the electron transport equation. Such condition balances the incident and reflective momentum flux at the microscopic level, pointwise at the boundary, in the case of a more general mixed reflection with momentum dependant specularity probability p (k →). We compare the computational prediction of physical observables given by the numerical implementation of these different reflection conditions in our DG scheme for BP models, and observe that the diffusive condition influences the kinetic moments over the whole domain in position space.

Studies about diffusion through grain boundary

International Nuclear Information System (INIS)

Allevato, C.E.

1983-01-01

Samples with layers of gold-silver and silver-chromium were deposited in high vacuum (10 -5 -10 -6 Torr) on glass and sodium chloride substrates. After deposition, these films were annealed at different temperatures and analysed by Rutherford Backscattering, Auger Spesctroscopy and Transmission Electron Microscopy. A simulated convolution was done using a computer in order to evalute the precision of the particle detector employed in the backscattering. The concentration profiles used to determine the diffusion coefficient were obtained by Auger electron spectroscopy. This technique demanded a study of sputtering rate to convert time of sputtering in thickness. This rate was determined by two methods. Analyses of the samples of silver-chromium, heated up to 250 0 C, by transmission electron microscopy and Auger electron spectroscopy, indicated the presence of oxide in small isolated regions, as crystallites. Values of the diffusion coefficient and activation energy related to the diffusion through the volume and by the grain boundary were determined by Suzuoka's method. The system Ag/Cr, due to its high grain boundary density, led to an increase of the diffusion coefficient so that this coefficient and the activation energy were obtained only from the grain boundary. (Author) [pt

Grain boundary and triple junction diffusion in nanocrystalline copper

Energy Technology Data Exchange (ETDEWEB)

Wegner, M., E-mail: m.wegner@uni-muenster.de; Leuthold, J.; Peterlechner, M.; Divinski, S. V., E-mail: divin@uni-muenster.de [Institut für Materialphysik, Universität Münster, Wilhelm-Klemm-Straße 10, D-48149, Münster (Germany); Song, X., E-mail: xysong@bjut.edu.cn [College of Materials Science and Engineering, Beijing University of Technology, 100124 Beijing (China); Wilde, G. [Institut für Materialphysik, Universität Münster, Wilhelm-Klemm-Straße 10, D-48149, Münster (Germany); Institute of Nanochemistry and Nanobiology, School of Environmental and Chemical Engineering, Shanghai University, 200444 Shanghai (China)

2014-09-07

Grain boundary and triple junction diffusion in nanocrystalline Cu samples with grain sizes, 〈d〉, of ∼35 and ∼44 nm produced by spark plasma sintering were investigated by the radiotracer method using the {sup 63}Ni isotope. The measured diffusivities, D{sub eff}, are comparable with those determined previously for Ni grain boundary diffusion in well-annealed, high purity, coarse grained, polycrystalline copper, substantiating the absence of a grain size effect on the kinetic properties of grain boundaries in a nanocrystalline material at grain sizes d ≥ 35 nm. Simultaneously, the analysis predicts that if triple junction diffusion of Ni in Cu is enhanced with respect to the corresponding grain boundary diffusion rate, it is still less than 500⋅D{sub gb} within the temperature interval from 420 K to 470 K.

A problem of atomic diffusion in a moving boundary

International Nuclear Information System (INIS)

Bezerra, M.C.C.

1985-01-01

It is analysed the convergence of a numerical scheme for calculating approximate solutions of a model used for evaluating concentration of atoms in a diffusion process in the walls of nuclear reactors. The ion trapping process is admitted to be reversible and the wall corrosion process is also considered in the model so that must deal with a moving boundary. Some conditions for the motion of the boundary are established in such a way that convergence can be assured in more general settings than those of previous papers. (Author) [pt

Diffuse-interface polycrystal plasticity: expressing grain boundaries as geometrically necessary dislocations

Science.gov (United States)

Admal, Nikhil Chandra; Po, Giacomo; Marian, Jaime

2017-12-01

The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boundaries. In this fashion, the system is modeled as a collection of boundary-value problems with matching boundary conditions. In this paper, we develop a diffuse-interface crystal plasticity model for polycrystalline materials that results in a single boundary-value problem with a single crystal as the reference configuration. Using a multiplicative decomposition of the deformation gradient into lattice and plastic parts, i.e. F( X,t)= F L( X,t) F P( X,t), an initial stress-free polycrystal is constructed by imposing F L to be a piecewise constant rotation field R 0( X), and F P= R 0( X)T, thereby having F( X,0)= I, and zero elastic strain. This model serves as a precursor to higher order crystal plasticity models with grain boundary energy and evolution.

Understanding the Effects of Lower Boundary Conditions and Eddy Diffusion on the Ionosphere-Thermosphere System

Science.gov (United States)

Malhotra, G.; Ridley, A. J.; Marsh, D. R.; Wu, C.; Paxton, L. J.

2017-12-01

The exchange of energy between lower atmospheric regions with the ionosphere-thermosphere (IT) system is not well understood. A number of studies have observed day-to-day and seasonal variabilities in the difference between data and model output of various IT parameters. It is widely speculated that the forcing from the lower atmosphere, variability in weather systems and gravity waves that propagate upward from troposphere into the upper mesosphere and lower thermosphere (MLT) may be responsible for these spatial and temporal variations in the IT region, but their exact nature is unknown. These variabilities can be interpreted in two ways: variations in state (density, temperature, wind) of the upper mesosphere or spatial and temporal changes in the small-scale mixing, or Eddy diffusion that is parameterized within the model.In this study, firstly, we analyze the sensitivity of the thermospheric and ionospheric states - neutral densities, O/N2, total electron content (TEC), peak electron density, and peak electron height - to various lower boundary conditions in the Global Ionosphere Thermosphere Model (GITM). We use WACCM-X and GSWM to drive the lower atmospheric boundary in GITM at 100 km, and compare the results with the current MSIS-driven version of GITM, analyzing which of these simulations match the measurements from GOCE, GUVI, CHAMP, and GPS-derived TEC best. Secondly, we analyze the effect of eddy diffusion in the IT system. The turbulence due to eddy mixing cannot be directly measured and it is a challenge to completely characterize its linear and non-linear effects from other influences, since the eddy diffusion both influences the composition through direct mixing and the temperature structure due to turbulent conduction changes. In this study we input latitudinal and seasonal profiles of eddy diffusion into GITM and then analyze the changes in the thermospheric and ionospheric parameters. These profiles will be derived from both WACC-X simulations

Molecular Dynamics Simulations of Grain Boundary and Bulk Diffusion in Metals.

Science.gov (United States)

Plimpton, Steven James

Diffusion is a microscopic mass transport mechanism that underlies many important macroscopic phenomena affecting the structural, electrical, and mechanical properties of metals. This thesis presents results from atomistic simulation studies of diffusion both in bulk and in the fast diffusion paths known as grain boundaries. Using the principles of molecular dynamics single boundaries are studied and their structure and dynamic properties characterized. In particular, tilt boundary bicrystal and bulk models of fcc Al and bcc alpha-Fe are simulated. Diffusion coefficients and activation energies for atomic motion are calculated for both models and compared to experimental data. The influence of the interatomic pair potential on the diffusion is studied in detail. A universal relation between the melting temperature that a pair potential induces in a simulated bulk model and the potential energy barrier height for atomic hopping is derived and used to correlate results for a wide variety of pair potentials. Using these techniques grain boundary and bulk diffusion coefficients for any fcc material can be estimated from simple static calculations without the need to perform more time-consuming dynamic simulations. The influences of two other factors on grain boundary diffusion are also studied because of the interest of the microelectronics industry in the diffusion related reliability problem known as electromigration. The first factor, known to affect the self diffusion rate of Al, is the presence of Cu impurity atoms in Al tilt boundaries. The bicrystal model for Al is seeded randomly with Cu atoms and a simple hybrid Morse potential used to model the Al-Cu interaction. While some effect due to the Cu is noted, it is concluded that pair potentials are likely an inadequate approximation for the alloy system. The second factor studied is the effect of the boundary orientation angle on the diffusion rate. Symmetric bcc Fe boundaries are relaxed to find optimal

Bayesian Inference for Linear Parabolic PDEs with Noisy Boundary Conditions

KAUST Repository

Ruggeri, Fabrizio; Sawlan, Zaid A; Scavino, Marco; Tempone, Raul

2016-01-01

In this work we develop a hierarchical Bayesian setting to infer unknown parameters in initial-boundary value problems (IBVPs) for one-dimensional linear parabolic partial differential equations. Noisy boundary data and known initial condition are assumed. We derive the likelihood function associated with the forward problem, given some measurements of the solution field subject to Gaussian noise. Such function is then analytically marginalized using the linearity of the equation. Gaussian priors have been assumed for the time-dependent Dirichlet boundary values. Our approach is applied to synthetic data for the one-dimensional heat equation model, where the thermal diffusivity is the unknown parameter. We show how to infer the thermal diffusivity parameter when its prior distribution is lognormal or modeled by means of a space-dependent stationary lognormal random field. We use the Laplace method to provide approximated Gaussian posterior distributions for the thermal diffusivity. Expected information gains and predictive posterior densities for observable quantities are numerically estimated for different experimental setups.

Bayesian Inference for Linear Parabolic PDEs with Noisy Boundary Conditions

KAUST Repository

Ruggeri, Fabrizio

2015-01-07

In this work we develop a hierarchical Bayesian setting to infer unknown parameters in initial-boundary value problems (IBVPs) for one-dimensional linear parabolic partial differential equations. Noisy boundary data and known initial condition are assumed. We derive the likelihood function associated with the forward problem, given some measurements of the solution field subject to Gaussian noise. Such function is then analytically marginalized using the linearity of the equation. Gaussian priors have been assumed for the time-dependent Dirichlet boundary values. Our approach is applied to synthetic data for the one-dimensional heat equation model, where the thermal diffusivity is the unknown parameter. We show how to infer the thermal diffusivity parameter when its prior distribution is lognormal or modeled by means of a space-dependent stationary lognormal random field. We use the Laplace method to provide approximated Gaussian posterior distributions for the thermal diffusivity. Expected information gains and predictive posterior densities for observable quantities are numerically estimated for different experimental setups.

Bayesian Inference for Linear Parabolic PDEs with Noisy Boundary Conditions

KAUST Repository

Ruggeri, Fabrizio

2016-01-06

In this work we develop a hierarchical Bayesian setting to infer unknown parameters in initial-boundary value problems (IBVPs) for one-dimensional linear parabolic partial differential equations. Noisy boundary data and known initial condition are assumed. We derive the likelihood function associated with the forward problem, given some measurements of the solution field subject to Gaussian noise. Such function is then analytically marginalized using the linearity of the equation. Gaussian priors have been assumed for the time-dependent Dirichlet boundary values. Our approach is applied to synthetic data for the one-dimensional heat equation model, where the thermal diffusivity is the unknown parameter. We show how to infer the thermal diffusivity parameter when its prior distribution is lognormal or modeled by means of a space-dependent stationary lognormal random field. We use the Laplace method to provide approximated Gaussian posterior distributions for the thermal diffusivity. Expected information gains and predictive posterior densities for observable quantities are numerically estimated for different experimental setups.

Grain boundary diffusion in terms of the tempered fractional calculus

International Nuclear Information System (INIS)

Sibatov, R.T.; Svetukhin, V.V.

2017-01-01

Mathematical treatment of grain-boundary diffusion based on the model first proposed by Fisher is usually formulated in terms of normal diffusion equations in a two-component nonhomogeneous medium. On the other hand, fractional equations of anomalous diffusion proved themselves to be useful in description of grain-boundary diffusion phenomena. Moreover, the most important propagation regime predicted by Fisher's model demonstrates subdiffusive behavior. However, the direct link between fractional approach and the Fisher model and its modifications has not found yet. Here, we fill this gap and show that solution of fractional subdiffusion equation offers general properties of classical solutions obtained by Whipple and Suzuoka. The tempered fractional approach is a convenient tool for studying precipitation in granular materials as the tempered subdiffusion limited process. - Highlights: • The link connected fractional diffusion approach and Fisher's model of grain-boundary diffusion is derived. • The subdiffusion exponent of grain-boundary diffusion can differ from 1/2. • Nucleation in granular materials is modeled by the process limited by tempered subdiffusion.

Grain boundary diffusion in terms of the tempered fractional calculus

Energy Technology Data Exchange (ETDEWEB)

Sibatov, R.T., E-mail: ren_sib@bk.ru [Ulyanovsk State University, 432017, 42 Leo Tolstoy str., Ulyanovsk (Russian Federation); Svetukhin, V.V. [Ulyanovsk State University, 432017, 42 Leo Tolstoy str., Ulyanovsk (Russian Federation); Institute of Nanotechnology and Microelectronics of the Russian Academy of Sciences, 115487, 18 Nagatinskaya str., Moscow (Russian Federation)

2017-06-28

Mathematical treatment of grain-boundary diffusion based on the model first proposed by Fisher is usually formulated in terms of normal diffusion equations in a two-component nonhomogeneous medium. On the other hand, fractional equations of anomalous diffusion proved themselves to be useful in description of grain-boundary diffusion phenomena. Moreover, the most important propagation regime predicted by Fisher's model demonstrates subdiffusive behavior. However, the direct link between fractional approach and the Fisher model and its modifications has not found yet. Here, we fill this gap and show that solution of fractional subdiffusion equation offers general properties of classical solutions obtained by Whipple and Suzuoka. The tempered fractional approach is a convenient tool for studying precipitation in granular materials as the tempered subdiffusion limited process. - Highlights: • The link connected fractional diffusion approach and Fisher's model of grain-boundary diffusion is derived. • The subdiffusion exponent of grain-boundary diffusion can differ from 1/2. • Nucleation in granular materials is modeled by the process limited by tempered subdiffusion.

Unsteady magnetohydrodynamic thermal and diffusion boundary layer from a horizontal circular cylinder

Directory of Open Access Journals (Sweden)

Boričić Aleksandar Z.

2016-01-01

Full Text Available The unsteady 2-D dynamic, thermal, and diffusion magnetohydrodynamic laminar boundary layer flow over a horizontal cylinder of incompressible and electrical conductivity fluid, in mixed convection in the presence of heat source or sink and chemical reactions. The present magnetic field is homogenous and perpendicular to the body surface. It is assumed that induction of outer magnetic field is a function of longitudinal co-ordinate outer electric field is neglected and magnetic Reynolds number is significantly lower than one, i. e. considered the problem is in approximation without induction. Fluid electrical conductivity is constant. Free stream velocity, temperature, and concentration on the body are functions of longitudinal co-ordinate. The developed governing boundary layer equations and associated boundary conditions are made dimensionless using a suitable similarity transformation and similarity parameters. System of non-dimensionless equations is solved using the implicit finite difference three-diagonal and iteration method. Numerical results are obtained and presented for different Prandtl, Eckart, and Schmidt numbers, and values: magnetic parameter, temperature, and diffusion parameters, buoyancy temperature parameters, thermal parameter, and chemical reaction parameter. Variation of velocity profiles, temperature and diffusion distributions, and many integral and differential characteristics, boundary layer, are evaluated numerically for different values of the magnetic field. Transient effects of velocity, temperature and diffusion are analyzed. A part of obtained results is given in the form of figures and corresponding conclusions.

A boundary integral equation for boundary element applications in multigroup neutron diffusion theory

International Nuclear Information System (INIS)

Ozgener, B.

1998-01-01

A boundary integral equation (BIE) is developed for the application of the boundary element method to the multigroup neutron diffusion equations. The developed BIE contains no explicit scattering term; the scattering effects are taken into account by redefining the unknowns. Boundary elements of the linear and constant variety are utilised for validation of the developed boundary integral formulation

The analytical solution for drug delivery system with nonhomogeneous moving boundary condition

Science.gov (United States)

Saudi, Muhamad Hakimi; Mahali, Shalela Mohd; Harun, Fatimah Noor

2017-08-01

This paper discusses the development and the analytical solution of a mathematical model based on drug release system from a swelling delivery device. The mathematical model is represented by a one-dimensional advection-diffusion equation with nonhomogeneous moving boundary condition. The solution procedures consist of three major steps. Firstly, the application of steady state solution method, which is used to transform the nonhomogeneous moving boundary condition to homogeneous boundary condition. Secondly, the application of the Landau transformation technique that gives a significant impact in removing the advection term in the system of equation and transforming the moving boundary condition to a fixed boundary condition. Thirdly, the used of separation of variables method to find the analytical solution for the resulted initial boundary value problem. The results show that the swelling rate of delivery device and drug release rate is influenced by value of growth factor r.

Global exponential stability and periodicity of reaction-diffusion recurrent neural networks with distributed delays and Dirichlet boundary conditions

International Nuclear Information System (INIS)

Lu Junguo; Lu Linji

2009-01-01

In this paper, global exponential stability and periodicity of a class of reaction-diffusion recurrent neural networks with distributed delays and Dirichlet boundary conditions are studied by constructing suitable Lyapunov functionals and utilizing some inequality techniques. We first prove global exponential convergence to 0 of the difference between any two solutions of the original neural networks, the existence and uniqueness of equilibrium is the direct results of this procedure. This approach is different from the usually used one where the existence, uniqueness of equilibrium and stability are proved in two separate steps. Secondly, we prove periodicity. Sufficient conditions ensuring the existence, uniqueness, and global exponential stability of the equilibrium and periodic solution are given. These conditions are easy to verify and our results play an important role in the design and application of globally exponentially stable neural circuits and periodic oscillatory neural circuits.

An improved procedure for determining grain boundary diffusion coefficients from averaged concentration profiles

Science.gov (United States)

Gryaznov, D.; Fleig, J.; Maier, J.

2008-03-01

Whipple's solution of the problem of grain boundary diffusion and Le Claire's relation, which is often used to determine grain boundary diffusion coefficients, are examined for a broad range of ratios of grain boundary to bulk diffusivities Δ and diffusion times t. Different reasons leading to errors in determining the grain boundary diffusivity (DGB) when using Le Claire's relation are discussed. It is shown that nonlinearities of the diffusion profiles in lnCav-y6/5 plots and deviations from "Le Claire's constant" (-0.78) are the major error sources (Cav=averaged concentration, y =coordinate in diffusion direction). An improved relation (replacing Le Claire's constant) is suggested for analyzing diffusion profiles particularly suited for small diffusion lengths (short times) as often required in diffusion experiments on nanocrystalline materials.

Validation of Boundary Conditions for CFD Simulations on Ventilated Rooms

DEFF Research Database (Denmark)

Topp, Claus; Jensen, Rasmus Lund; Pedersen, D.N.

2001-01-01

The application of Computational Fluid Dynamics (CFD) for ventilation research and design of ventilation systems has increased during the recent years. This paper provides an investigation of direct description of boundary conditions for a complex inlet diffuser and a heated surface. A series...

Estimation of grain boundary diffusivity in near-α titanium polycrystals

International Nuclear Information System (INIS)

Brockman, Robert A.; Pilchak, Adam L.; John Porter, W.; John, Reji

2011-01-01

The role of enhanced grain boundary diffusivity in high-temperature diffusion of interstitial elements through metals is widely recognized but poorly characterized in most materials. This paper summarizes an effort to estimate grain boundary diffusivity of oxygen in a near-α titanium alloy, Ti-6Al-2Sn-4Zr-2Mo-0.1Si, by explicitly incorporating microstructure obtained from electron backscatter diffraction into an analytical model. Attention is focused on near-surface diffusion behavior contributing to the rapid ingress of oxygen and possible crack initiation in high-temperature environments.

Diffusion transport of nanoparticles at nanochannel boundaries

International Nuclear Information System (INIS)

Mahadevan, T. S.; Milosevic, M.; Kojic, M.; Hussain, F.; Kojic, N.; Serda, R.; Ferrari, M.; Ziemys, A.

2013-01-01

The manipulation of matter at the nanoscale has unleashed a great potential for engineering biomedical drug carriers, but the transport of nanoparticles (NPs) under nanoscale confinement is still poorly understood. Using colloidal physics to describe NP interactions, we have computationally studied the passive transport of NPs using experimentally relevant conditions from bulk into a nanochannel of 60–90 nm height. NP size, channel height, and the Debye length are comparable so that changes in nanoscale dimensions may induce substantial changes in NP transport kinetics. We show that subtle changes in nanochannel dimensions may alter the energy barrier by about six orders of magnitude resulting in different NP penetration depths and diffusion mechanisms: ballistic, first-order and quasi zero-order transport regimes. The analysis of NP diffusion by continuum methods reveals that apparent diffusivity is reduced by decreasing channel size. The continuum finite element (FE) numerical method reproduced the colloidal model results only when surface interactions were accounted for. These results give a new insight into NP passive transport at the boundaries of nanoconfined domains, and have implications on the design of nanoscale fluidics and NP systems for biomedical and engineering applications.

Tracer concentration contours in grain lattice and grain boundary diffusion

International Nuclear Information System (INIS)

Kim, Y. S.; Olander, D. R.

1997-01-01

Grain boundary diffusion plays a significant role in fission gas release, which is one of the crucial processes dominating nuclear fuel performance. Gaseous fission products such as Xe and Kr generated during nuclear fission have to diffuse in the grain lattice and the boundary inside fuel pellets before they reach the open spaces in a fuel rod. These processes can be studied by 'tracer diffusion' techniques, by which grain boundary diffusivity can be estimated and directly used for low burn-up fission gas release analysis. However, only a few models accounting for the both processes are available and mostly handle them numerically due to mathematical complexity. Also the numerical solution has limitations in a practical use. In this paper, an approximate analytical solution in case of stationary grain boundary in a polycrystalline solid is developed for the tracer diffusion techniques. This closed-form solution is compared to available exact and numerical solutions and it turns out that it makes computation not only greatly easier but also more accurate than previous models. It can be applied to theoretical modelings for low burn-up fission gas release phenomena and experimental analyses as well, especially for PIE (post irradiation examination). (author)

Concentration contours in lattics and grain boundary diffusion in a polycrystalline solid

International Nuclear Information System (INIS)

Kim, Yong Soo; Jae, Won Mok; El Saied, Usama; Olander, Donald R.

1995-01-01

Grain boundary diffusion plays significant role in the fission gas release, which is one of the crucial processes dominating nuclear fuel performance. Gaseous fission products such as Xe and Kr generated inside fuel pellet have to diffuse in the lattice and in the grain boundary before they reach open space in the fuel rod. In the mean time, the grains in the fuel pellet grow and shrink according to grain growth kinetics, especially at elevated temperature at which nuclear reactors are operating. Thus the boundary movement ascribed to the grain growth greatly influences the fission gas release rate by lengthening or shortening the lattice diffusion distance, which is the rate limiting step. Sweeping fission gases by the moving boundary contributes to the increment of the fission gas release as well. Lattice and grain boundary diffusion processes in the fission gas release can be studied by 'tracer diffusion' technique, by which grain boundary diffusivity can be estimated and used directly for low burn up fission gas release analysis. However, even for tracer diffusion analysis, taking both the intragranular grain growth and the diffusion processes simultaneously into consideration is not easy. Only a few models accounting for the both processes are available and mostly handle them numerically. Numerical solutions are limited in the practical use. Here in this paper, an approximate analytical solution of the lattice and stationary grain boundary diffusion in a polycrystalline solid is developed for the tracer diffusion techniques. This short closed form solution is compared to available exact and numerical solutions and turns out to be acceptably accurate. It can be applied to the theoretical modeling and the experimental analysis, especially PIE (post irradiation examination), of low burn up fission gas release

Role of boundary layer diffusion in vapor deposition growth of chalcogenide nanosheets: the case of GeS.

Science.gov (United States)

Li, Chun; Huang, Liang; Snigdha, Gayatri Pongur; Yu, Yifei; Cao, Linyou

2012-10-23

We report a synthesis of single-crystalline two-dimensional GeS nanosheets using vapor deposition processes and show that the growth behavior of the nanosheet is substantially different from those of other nanomaterials and thin films grown by vapor depositions. The nanosheet growth is subject to strong influences of the diffusion of source materials through the boundary layer of gas flows. This boundary layer diffusion is found to be the rate-determining step of the growth under typical experimental conditions, evidenced by a substantial dependence of the nanosheet's size on diffusion fluxes. We also find that high-quality GeS nanosheets can grow only in the diffusion-limited regime, as the crystalline quality substantially deteriorates when the rate-determining step is changed away from the boundary layer diffusion. We establish a simple model to analyze the diffusion dynamics in experiments. Our analysis uncovers an intuitive correlation of diffusion flux with the partial pressure of source materials, the flow rate of carrier gas, and the total pressure in the synthetic setup. The observed significant role of boundary layer diffusions in the growth is unique for nanosheets. It may be correlated with the high growth rate of GeS nanosheets, ~3-5 μm/min, which is 1 order of magnitude higher than other nanomaterials (such as nanowires) and thin films. This fundamental understanding of the effect of boundary layer diffusions may generally apply to other chalcogenide nanosheets that can grow rapidly. It can provide useful guidance for the development of general paradigms to control the synthesis of nanosheets.

Development of the hierarchical domain decomposition boundary element method for solving the three-dimensional multiregion neutron diffusion equations

International Nuclear Information System (INIS)

Chiba, Gou; Tsuji, Masashi; Shimazu, Yoichiro

2001-01-01

A hierarchical domain decomposition boundary element method (HDD-BEM) that was developed to solve a two-dimensional neutron diffusion equation has been modified to deal with three-dimensional problems. In the HDD-BEM, the domain is decomposed into homogeneous regions. The boundary conditions on the common inner boundaries between decomposed regions and the neutron multiplication factor are initially assumed. With these assumptions, the neutron diffusion equations defined in decomposed homogeneous regions can be solved respectively by applying the boundary element method. This part corresponds to the 'lower level' calculations. At the 'higher level' calculations, the assumed values, the inner boundary conditions and the neutron multiplication factor, are modified so as to satisfy the continuity conditions for the neutron flux and the neutron currents on the inner boundaries. These procedures of the lower and higher levels are executed alternately and iteratively until the continuity conditions are satisfied within a convergence tolerance. With the hierarchical domain decomposition, it is possible to deal with problems composing a large number of regions, something that has been difficult with the conventional BEM. In this paper, it is showed that a three-dimensional problem even with 722 regions can be solved with a fine accuracy and an acceptable computation time. (author)

Density functional theory metadynamics of silver, caesium and palladium diffusion at β-SiC grain boundaries

Energy Technology Data Exchange (ETDEWEB)

Rabone, Jeremy, E-mail: jeremy.rabone@ec.europa.eu [European Commission, Joint Research Centre, Institute for Transuranium Elements, D-76125 Karlsruhe (Germany); López-Honorato, Eddie [Centro de Investigación y de Estudios Avanzados del IPN (CINVESTAV), Unidad Saltillo, Industria Metalúrgica 1062, Parque Industrial, Ramos Arizpe 25900, Coahuila (Mexico)

2015-03-15

Highlights: • DFT metadynamics of diffusion of Pd, Ag and Cs on grain boundaries in β-SiC. • The calculated diffusion rates for Pd and Ag tally with experimental release rates. • A mechanism of release other than grain boundary diffusion seems likely for Cs. - Abstract: The use of silicon carbide in coated nuclear fuel particles relies on this materials impermeability towards fission products under normal operating conditions. Determining the underlying factors that control the rate at which radionuclides such as Silver-110m and Caesium-137 can cross the silicon carbide barrier layers, and at which fission products such as palladium could compromise or otherwise alter the nature of this layer, are of paramount importance for the safety of this fuel. To this end, DFT-based metadynamics simulations are applied to the atomic diffusion of silver, caesium and palladium along a Σ5 grain boundary and to palladium along a carbon-rich Σ3 grain boundary in cubic silicon carbide at 1500 K. For silver, the calculated diffusion coefficients lie in a similar range (7.04 × 10{sup −19}–3.69 × 10{sup −17} m{sup 2} s{sup −1}) as determined experimentally. For caesium, the calculated diffusion rates are very much slower (3.91 × 10{sup −23}–2.15 × 10{sup −21} m{sup 2} s{sup −1}) than found experimentally, suggesting a different mechanism to the simulation. Conversely, the calculated atomic diffusion of palladium is very much faster (7.96 × 10{sup −11}–7.26 × 10{sup −9} m{sup 2} s{sup −1}) than the observed penetration rate of palladium nodules. This points to the slow dissolution and rapid regrowth of palladium nodules as a possible ingress mechanism in addition to the previously suggested migration of entire nodules along grain boundaries. The diffusion rate of palladium along the Σ3 grain boundary was calculated to be slightly slower (2.38 × 10{sup −11}–8.24 × 10{sup −10} m{sup 2} s{sup −1}) than along the Σ5 grain boundary. Rather

A singular perturbation limit of diffused interface energy with a fixed contact angle condition

OpenAIRE

Kagaya, Takashi; Tonegawa, Yoshihiro

2016-01-01

We study a general asymptotic behavior of critical points of a diffused interface energy with a fixed contact angle condition defined on a domain $\\Omega \\subset \\mathbb{R}^n$. We show that the limit varifold derived from the diffused energy satisfies a generalized contact angle condition on the boundary under a set of assumptions.

Migration of liquid film and grain boundary in Mo-Ni induced by W diffusion

International Nuclear Information System (INIS)

Kang, H.K.; Hackney, S.; Yoon, D.N.

1988-01-01

The liquid films and grain boundaries in liquid phase sintered Mo-Ni alloy are observed to migrate during heat-treatment after adding W to the liquid matrix. Behind the migrating boundaries forms Mo-Ni-W solid solution with the W concentration decreasing with the migration distance because of W depletion in the liquid matrix. The migration rate during the heat-treatment at 1540 0 C after adding W decreases with the decreasing pretreatment sintering temperature. When the sintering temperature is 1420 0 C, the migration rate is almost reduced to O. Under this condition, the coherency strain due to the simultaneous diffusion of W and Ni into the grain surfaces is estimated to be almost O. The results thus show that the coherency strain due to lattice diffusion is the driving force for the liquid film and grain boundary migration

Grain boundary engineering for control of tellurium diffusion in GH3535 alloy

Science.gov (United States)

Fu, Cai-Tao; Yinling, Wang; Chu, Xiang-Wei; Jiang, Li; Zhang, Wen-Zhu; Bai, Qin; Xia, Shuang; Leng, Bin; Li, Zhi-Jun; Ye, Xiang-Xi; Liu, Fang

2017-12-01

The effect of grain boundary engineering (GBE) on the Te diffusion along the surface grain boundaries was investigated in GH3535 alloy. It can be found that GBE treatment increases obviously the fraction of low-Σ coincidence site lattice (CSL) boundaries, especially the Σ3 ones, and introduces the large-size grain clusters. When the as-received (AR) and GBE-treated (GBET) specimens were exposed to Te vapor, only Σ3 boundaries were found to be resistant to Te diffusion. From the cross section and the surface, the fewer Te-attacked grain boundaries and the thinner corrosion layer can be observed in the GBET sample. The improvement of resistance to Te diffusion in the GBET sample can be attributed to the large size grain-clusters associated with high proportion of the Σ3n boundaries.

Quantum Transmission Conditions for Diffusive Transport in Graphene with Steep Potentials

Science.gov (United States)

Barletti, Luigi; Negulescu, Claudia

2018-05-01

We present a formal derivation of a drift-diffusion model for stationary electron transport in graphene, in presence of sharp potential profiles, such as barriers and steps. Assuming the electric potential to have steep variations within a strip of vanishing width on a macroscopic scale, such strip is viewed as a quantum interface that couples the classical regions at its left and right sides. In the two classical regions, where the potential is assumed to be smooth, electron and hole transport is described in terms of semiclassical kinetic equations. The diffusive limit of the kinetic model is derived by means of a Hilbert expansion and a boundary layer analysis, and consists of drift-diffusion equations in the classical regions, coupled by quantum diffusive transmission conditions through the interface. The boundary layer analysis leads to the discussion of a four-fold Milne (half-space, half-range) transport problem.

Corrected simulations for one-dimensional diffusion processes with naturally occurring boundaries.

Science.gov (United States)

Shafiey, Hassan; Gan, Xinjun; Waxman, David

2017-11-01

To simulate a diffusion process, a usual approach is to discretize the time in the associated stochastic differential equation. This is the approach used in the Euler method. In the present work we consider a one-dimensional diffusion process where the terms occurring, within the stochastic differential equation, prevent the process entering a region. The outcome is a naturally occurring boundary (which may be absorbing or reflecting). A complication occurs in a simulation of this situation. The term involving a random variable, within the discretized stochastic differential equation, may take a trajectory across the boundary into a "forbidden region." The naive way of dealing with this problem, which we refer to as the "standard" approach, is simply to reset the trajectory to the boundary, based on the argument that crossing the boundary actually signifies achieving the boundary. In this work we show, within the framework of the Euler method, that such resetting introduces a spurious force into the original diffusion process. This force may have a significant influence on trajectories that come close to a boundary. We propose a corrected numerical scheme, for simulating one-dimensional diffusion processes with naturally occurring boundaries. This involves correcting the standard approach, so that an exact property of the diffusion process is precisely respected. As a consequence, the proposed scheme does not introduce a spurious force into the dynamics. We present numerical test cases, based on exactly soluble one-dimensional problems with one or two boundaries, which suggest that, for a given value of the discrete time step, the proposed scheme leads to substantially more accurate results than the standard approach. Alternatively, the standard approach needs considerably more computation time to obtain a comparable level of accuracy to the proposed scheme, because the standard approach requires a significantly smaller time step.

A grain-boundary diffusion model of dynamic grain growth during superplastic deformation

International Nuclear Information System (INIS)

Kim, Byung-Nam; Hiraga, Keijiro; Sakka, Yoshio; Ahn, Byung-Wook

1999-01-01

Dynamic grain growth during superplastic deformation is modelled on the basis of a grain-boundary diffusion mechanism. On the grain boundary where a static and a dynamic potential difference coexist, matter transport along the boundary is assumed to contribute to dynamic grain growth through depositing the matter on the grain surface located opposite to the direction of grain-boundary migration. The amount of the diffusive matter during deformation is calculated for an aggregate of spherical grains and is converted to the increment of mean boundary migration velocity. The obtained relationship between the strain rate and the dynamic grain growth rate is shown to be independent of deformation mechanisms, provided that the grain growth is controlled by grain-boundary diffusion. The strain dependence, strain-rate dependence and temperature dependence of grain growth predicted from this model are consistent with those observed in superplastic ZrO 2 -dispersed Al 2 O 3

Design of broadband time-domain impedance boundary conditions using the oscillatory-diffusive representation of acoustical models.

Science.gov (United States)

Monteghetti, Florian; Matignon, Denis; Piot, Estelle; Pascal, Lucas

2016-09-01

A methodology to design broadband time-domain impedance boundary conditions (TDIBCs) from the analysis of acoustical models is presented. The derived TDIBCs are recast exclusively as first-order differential equations, well-suited for high-order numerical simulations. Broadband approximations are yielded from an elementary linear least squares optimization that is, for most models, independent of the absorbing material geometry. This methodology relies on a mathematical technique referred to as the oscillatory-diffusive (or poles and cuts) representation, and is applied to a wide range of acoustical models, drawn from duct acoustics and outdoor sound propagation, which covers perforates, semi-infinite ground layers, as well as cavities filled with a porous medium. It is shown that each of these impedance models leads to a different TDIBC. Comparison with existing numerical models, such as multi-pole or extended Helmholtz resonator, provides insights into their suitability. Additionally, the broadly-applicable fractional polynomial impedance models are analyzed using fractional calculus.

Consistent boundary conditions for open strings

International Nuclear Information System (INIS)

Lindstroem, Ulf; Rocek, Martin; Nieuwenhuizen, Peter van

2003-01-01

We study boundary conditions for the bosonic, spinning (NSR) and Green-Schwarz open string, as well as for (1+1)-dimensional supergravity. We consider boundary conditions that arise from (1) extremizing the action, (2) BRST, rigid or local supersymmetry, or κ(Siegel)-symmetry of the action, (3) closure of the set of boundary conditions under the symmetry transformations, and (4) the boundary limits of bulk Euler-Lagrange equations that are 'conjugate' to other boundary conditions. We find corrections to Neumann boundary conditions in the presence of a bulk tachyon field. We discuss a boundary superspace formalism. We also find that path integral quantization of the open string requires an infinite tower of boundary conditions that can be interpreted as a smoothness condition on the doubled interval; we interpret this to mean that for a path-integral formulation of open strings with only Neuman boundary conditions, the description in terms of orientifolds is not just natural, but is actually fundamental

Diffuse boundary extraction of breast masses on ultrasound by leak plugging

International Nuclear Information System (INIS)

Cary, T.W.; Conant, E.F.; Arger, P.H.; Sehgal, C.M.

2005-01-01

We propose a semiautomated seeded boundary extraction algorithm that delineates diffuse region boundaries by finding and plugging their leaks. The algorithm not only extracts boundaries that are partially diffuse, but in the process finds and quantifies those parts of the boundary that are diffuse, computing local sharpness measurements for possible use in computer-aided diagnosis. The method treats a manually drawn seed region as a wellspring of pixel 'fluid' that flows from the seed out towards the boundary. At indistinct or porous sections of the boundary, the growing region will leak into surrounding tissue. By changing the size of structuring elements used for growing, the algorithm changes leak properties. Since larger elements cannot leak as far from the seed, they produce compact, less detailed boundary approximations; conversely, growing from smaller elements results in less constrained boundaries with more local detail. This implementation of the leak plugging algorithm decrements the radius of structuring disks and then compares the regions grown from them as they increase in both area and boundary detail. Leaks are identified if the outflows between grown regions are large compared to the areas of the disks. The boundary is plugged by masking out leaked pixels, and the process continues until one-pixel-radius resolution. When tested against manual delineation on scans of 40 benign masses and 40 malignant tumors, the plugged boundaries overlapped and correlated well in area with manual tracings, with mean overlap of 0.69 and area correlation R 2 of 0.86, but the algorithm's results were more reproducible

SWAXS investigations on diffuse boundary nanostructures of metallic nanoparticles synthesized by electrical discharges

Energy Technology Data Exchange (ETDEWEB)

Guo, Xiaoai, E-mail: xiaoai.guo@kit.edu; Gutsche, Alexander; Nirschl, Hermann [Karlsruhe Institute of Technology, Institute for Mechanical Process Engineering and Mechanics (Germany)

2013-11-15

Metallic nanoparticles have attracted a particular interest in scientific research and industrial applications due to their unique size-dependent physical and chemical properties. An eco-friendly and cost-effective synthesis method called electrical discharge enables large scale production of metallic nanoparticles. Systematic investigations of such synthesized metallic nanoparticles help to optimize the synthesis process and improve the product quality. In this work, for the first time we have investigated the diffuse interfacial boundary nanostructures of the metallic nanoparticles, which were synthesized under different conditions by electrical glow and arc discharges in the carrier gas, by means of a small- and wide-angle X-ray scattering (SWAXS) technique using a laboratory X-ray source. Meanwhile, this unique SWAXS technique allows simultaneous study of the primary particle size, morphology, and crystallinity. The metallic nanoparticles (copper and nickel) under investigation cover a size range of 10–80 nm, and the determined thickness of the diffuse boundary nanostructured layer of metallic nanoparticles is in the range of 1–3 nm. The experimental results obtained by SWAXS were compared to the TEM/EDX observation and the XRD reference patterns from RRUFF database, and a good agreement was found. Our SWAXS investigations indicated that the existence of a diffuse nanostructured solid layer on the synthesized metallic nanoparticle surface causes a negative deviation of the scattering intensity (Ι∝q{sup -α}, α>4) from Porod’s law which corresponds to the case of ideal two-phase particle systems with sharp boundaries (Ι∝q{sup -α}, α=4) . This implies that the electron density profile is not sharp but changes gradually between two phases, and hence the exponent α is greater than four. Two electron density profile models, sigmoidal electron-density gradient model and linear electron-density gradient model, have been taken into account in

Grain boundary imaging, gallium diffusion and the fracture behavior of Al-Zn Alloy - An in situ study

CERN Document Server

Tsai, W L; Chen, C H; Chang, L W; Je, J H; Lin, H M; Margaritondo, G

2003-01-01

Phase contrast radiology using unmonochromatic synchrotron X-ray successfully imaged the grain boundaries of Al and AlZn alloy without contrast agent. Combining the high penetration of X-ray and the possibility of 3D reconstruction by tomorgraphy or stereography method, this approach can be very used for nondestructive characterization of polycrystalline materials. By examine the images with 3D perspective, we were able locate the observed void-like defects which lies exclusively on the grain boundary and identify their origin from last stage of the rolling process. We studied the Ga Liquid metal diffusion in the AlZn alloy, under different temperature and stress conditions. High resolution images, approx 2 mu m, of Ga liquid metal diffusion in AlZn were obtained in real time and diffusion paths alone grain boundaries and surfaces were clearly identified. Embrittled AlZn responses to the tensile stress and fractures in a drastic different manner than the pure AlZn. These results, although very much expected f...

Turbine exhaust diffuser with region of reduced flow area and outer boundary gas flow

Science.gov (United States)

Orosa, John

2014-03-11

An exhaust diffuser system and method for a turbine engine. The outer boundary may include a region in which the outer boundary extends radially inwardly toward the hub structure and may direct at least a portion of an exhaust flow in the diffuser toward the hub structure. At least one gas jet is provided including a jet exit located on the outer boundary. The jet exit may discharge a flow of gas downstream substantially parallel to an inner surface of the outer boundary to direct a portion of the exhaust flow in the diffuser toward the outer boundary to effect a radially outward flow of at least a portion of the exhaust gas flow toward the outer boundary to balance an aerodynamic load between the outer and inner boundaries.

Evolution of passive movement in advective environments: General boundary condition

Science.gov (United States)

Zhou, Peng; Zhao, Xiao-Qiang

2018-03-01

In a previous work [16], Lou et al. studied a Lotka-Volterra competition-diffusion-advection system, where two species are supposed to differ only in their advection rates and the environment is assumed to be spatially homogeneous and closed (no-flux boundary condition), and showed that weaker advective movements are more beneficial for species to win the competition. In this paper, we aim to extend this result to a more general situation, where the environmental heterogeneity is taken into account and the boundary condition at the downstream end becomes very flexible including the standard Dirichlet, Neumann and Robin type conditions as special cases. Our main approaches are to exclude the existence of co-existence (positive) steady state and to provide a clear picture on the stability of semi-trivial steady states, where we introduced new ideas and techniques to overcome the emerging difficulties. Based on these two aspects and the theory of abstract competitive systems, we achieve a complete understanding on the global dynamics.

Lattice Boltzmann simulations of pressure-driven flows in microchannels using Navier–Maxwell slip boundary conditions

KAUST Repository

Reis, Tim; Dellar, Paul J.

2012-01-01

lattice Boltzmann formulations cannot capture Knudsen boundary layers, we replace the usual discrete analogs of the specular diffuse reflection conditions from continuous kinetic theory with a moment-based implementation of the first-order Navier

Lattice Boltzmann simulations of pressure-driven flows in microchannels using Navier–Maxwell slip boundary conditions

KAUST Repository

Reis, Tim

2012-01-01

We present lattice Boltzmann simulations of rarefied flows driven by pressure drops along two-dimensional microchannels. Rarefied effects lead to non-zero cross-channel velocities, nonlinear variations in the pressure along the channel. Both effects are absent in flows driven by uniform body forces. We obtain second-order accuracy for the two components of velocity the pressure relative to asymptotic solutions of the compressible Navier-Stokes equations with slip boundary conditions. Since the common lattice Boltzmann formulations cannot capture Knudsen boundary layers, we replace the usual discrete analogs of the specular diffuse reflection conditions from continuous kinetic theory with a moment-based implementation of the first-order Navier-Maxwell slip boundary conditions that relate the tangential velocity to the strain rate at the boundary. We use these conditions to solve for the unknown distribution functions that propagate into the domain across the boundary. We achieve second-order accuracy by reformulating these conditions for the second set of distribution functions that arise in the derivation of the lattice Boltzmann method by an integration along characteristics. Our moment formalism is also valuable for analysing the existing boundary conditions. It reveals the origin of numerical slip in the bounce-back other common boundary conditions that impose conditions on the higher moments, not on the local tangential velocity itself. © 2012 American Institute of Physics.

Reconstruction of boundary conditions from internal conditions using viability theory

KAUST Repository

Hofleitner, Aude; Claudel, Christian G.; Bayen, Alexandre M.

2012-01-01

This article presents a method for reconstructing downstream boundary conditions to a HamiltonJacobi partial differential equation for which initial and upstream boundary conditions are prescribed as piecewise affine functions and an internal condition is prescribed as an affine function. Based on viability theory, we reconstruct the downstream boundary condition such that the solution of the Hamilton-Jacobi equation with the prescribed initial and upstream conditions and reconstructed downstream boundary condition satisfies the internal value condition. This work has important applications for estimation in flow networks with unknown capacity reductions. It is applied to urban traffic, to reconstruct signal timings and temporary capacity reductions at intersections, using Lagrangian sensing such as GPS devices onboard vehicles.

Reconstruction of boundary conditions from internal conditions using viability theory

KAUST Repository

Hofleitner, Aude

2012-06-01

This article presents a method for reconstructing downstream boundary conditions to a HamiltonJacobi partial differential equation for which initial and upstream boundary conditions are prescribed as piecewise affine functions and an internal condition is prescribed as an affine function. Based on viability theory, we reconstruct the downstream boundary condition such that the solution of the Hamilton-Jacobi equation with the prescribed initial and upstream conditions and reconstructed downstream boundary condition satisfies the internal value condition. This work has important applications for estimation in flow networks with unknown capacity reductions. It is applied to urban traffic, to reconstruct signal timings and temporary capacity reductions at intersections, using Lagrangian sensing such as GPS devices onboard vehicles.

Diffusion of drag-reducing polymer solutions within a rough-walled turbulent boundary layer

Science.gov (United States)

Elbing, Brian R.; Dowling, David R.; Perlin, Marc; Ceccio, Steven L.

2010-04-01

The influence of surface roughness on diffusion of wall-injected, drag-reducing polymer solutions within a turbulent boundary layer was studied with a 0.94 m long flat-plate test model at speeds of up to 10.6 m s-1 and Reynolds numbers of up to 9×106. The surface was hydraulically smooth, transitionally rough, or fully rough. Mean concentration profiles were acquired with planar laser induced fluorescence, which was the primary flow diagnostic. Polymer concentration profiles with high injection concentrations (≥1000 wppm) had the peak concentration shifted away from the wall, which was partially attributed to a lifting phenomenon. The diffusion process was divided into three zones—initial, intermediate, and final. Studies of polymer injection into a polymer ocean at concentrations sufficient for maximum drag reduction indicated that the maximum initial zone length is of the order of 100 boundary layer thicknesses. The intermediate zone results indicate that friction velocity and roughness height are important scaling parameters in addition to flow and injection conditions. Lastly, the current results were combined with those in Petrie et al. ["Polymer drag reduction with surface roughness in flat-plate turbulent boundary layer flow," Exp. Fluids 35, 8 (2003)] to demonstrate that the influence of polymer degradation increases with increased surface roughness.

Diffusive limits for linear transport equations

International Nuclear Information System (INIS)

Pomraning, G.C.

1992-01-01

The authors show that the Hibert and Chapman-Enskog asymptotic treatments that reduce the nonlinear Boltzmann equation to the Euler and Navier-Stokes fluid equations have analogs in linear transport theory. In this linear setting, these fluid limits are described by diffusion equations, involving familiar and less familiar diffusion coefficients. Because of the linearity extant, one can carry out explicitly the initial and boundary layer analyses required to obtain asymptotically consistent initial and boundary conditions for the diffusion equations. In particular, the effects of boundary curvature and boundary condition variation along the surface can be included in the boundary layer analysis. A brief review of heuristic (nonasymptotic) diffusion description derivations is also included in our discussion

Boundary conditions in random sequential adsorption

Science.gov (United States)

Cieśla, Michał; Ziff, Robert M.

2018-04-01

The influence of different boundary conditions on the density of random packings of disks is studied. Packings are generated using the random sequential adsorption algorithm with three different types of boundary conditions: periodic, open, and wall. It is found that the finite size effects are smallest for periodic boundary conditions, as expected. On the other hand, in the case of open and wall boundaries it is possible to introduce an effective packing size and a constant correction term to significantly improve the packing densities.

Quantum “violation” of Dirichlet boundary condition

Directory of Open Access Journals (Sweden)

I.Y. Park

2017-02-01

Full Text Available Dirichlet boundary conditions have been widely used in general relativity. They seem at odds with the holographic property of gravity simply because a boundary configuration can be varying and dynamic instead of dying out as required by the conditions. In this work we report what should be a tension between the Dirichlet boundary conditions and quantum gravitational effects, and show that a quantum-corrected black hole solution of the 1PI action no longer obeys, in the naive manner one may expect, the Dirichlet boundary conditions imposed at the classical level. We attribute the ‘violation’ of the Dirichlet boundary conditions to a certain mechanism of the information storage on the boundary.

Quantum “violation” of Dirichlet boundary condition

Energy Technology Data Exchange (ETDEWEB)

Park, I.Y., E-mail: inyongpark05@gmail.com

2017-02-10

Dirichlet boundary conditions have been widely used in general relativity. They seem at odds with the holographic property of gravity simply because a boundary configuration can be varying and dynamic instead of dying out as required by the conditions. In this work we report what should be a tension between the Dirichlet boundary conditions and quantum gravitational effects, and show that a quantum-corrected black hole solution of the 1PI action no longer obeys, in the naive manner one may expect, the Dirichlet boundary conditions imposed at the classical level. We attribute the ‘violation’ of the Dirichlet boundary conditions to a certain mechanism of the information storage on the boundary.

Grain boundary imaging, gallium diffusion and the fracture behavior of Al-Zn Alloy - An in situ study

Science.gov (United States)

Tsai, W. L.; Hwu, Y.; Chen, C. H.; Chang, L. W.; Je, J. H.; Lin, H. M.; Margaritondo, G.

2003-01-01

Phase contrast radiology using unmonochromatic synchrotron X-ray successfully imaged the grain boundaries of Al and AlZn alloy without contrast agent. Combining the high penetration of X-ray and the possibility of 3D reconstruction by tomorgraphy or stereography method, this approach can be very used for nondestructive characterization of polycrystalline materials. By examine the images with 3D perspective, we were able locate the observed void-like defects which lies exclusively on the grain boundary and identify their origin from last stage of the rolling process. We studied the Ga Liquid metal diffusion in the AlZn alloy, under different temperature and stress conditions. High resolution images, ˜2 μm, of Ga liquid metal diffusion in AlZn were obtained in real time and diffusion paths alone grain boundaries and surfaces were clearly identified. Embrittled AlZn responses to the tensile stress and fractures in a drastic different manner than the pure AlZn. These results, although very much expected from the known weakening effect of the liquid metal embrittlement demonstrated, however, that this particular radiology method is fully capable of dynamic study in the micrometer scale.

Auto and hetero-diffusion along grain and interphase boundaries in α-Zr and Zr-2.5wt%Nb

International Nuclear Information System (INIS)

Dyment, F.; Iribarren, M.J.; Vieregge, K.; Herzig, C.

1993-01-01

Grain-boundary diffusion measurements made in α-Zr and interphase-boundary diffusion measurements made in the (α+β) region of Zr-2.5wt%Nb were considered together with the aim of gaining a better understanding of the behaviour of these boundaries in Zr-based materials which are relevant for the nuclear industry. When comparing the total set of data it turns out that, from the diffusion point of view, both types of boundaries provide similar short-circuit diffusion paths. (orig.)

Bounded fractional diffusion in geological media: Definition and Lagrangian approximation

Science.gov (United States)

Zhang, Yong; Green, Christopher T.; LaBolle, Eric M.; Neupauer, Roseanna M.; Sun, HongGuang

2016-01-01

Spatiotemporal Fractional-Derivative Models (FDMs) have been increasingly used to simulate non-Fickian diffusion, but methods have not been available to define boundary conditions for FDMs in bounded domains. This study defines boundary conditions and then develops a Lagrangian solver to approximate bounded, one-dimensional fractional diffusion. Both the zero-value and non-zero-value Dirichlet, Neumann, and mixed Robin boundary conditions are defined, where the sign of Riemann-Liouville fractional derivative (capturing non-zero-value spatial-nonlocal boundary conditions with directional super-diffusion) remains consistent with the sign of the fractional-diffusive flux term in the FDMs. New Lagrangian schemes are then proposed to track solute particles moving in bounded domains, where the solutions are checked against analytical or Eularian solutions available for simplified FDMs. Numerical experiments show that the particle-tracking algorithm for non-Fickian diffusion differs from Fickian diffusion in relocating the particle position around the reflective boundary, likely due to the non-local and non-symmetric fractional diffusion. For a non-zero-value Neumann or Robin boundary, a source cell with a reflective face can be applied to define the release rate of random-walking particles at the specified flux boundary. Mathematical definitions of physically meaningful nonlocal boundaries combined with bounded Lagrangian solvers in this study may provide the only viable techniques at present to quantify the impact of boundaries on anomalous diffusion, expanding the applicability of FDMs from infinite do mains to those with any size and boundary conditions.

Automatic generation of boundary conditions using demons nonrigid image registration for use in 3-D modality-independent elastography.

Science.gov (United States)

Pheiffer, Thomas S; Ou, Jao J; Ong, Rowena E; Miga, Michael I

2011-09-01

Modality-independent elastography (MIE) is a method of elastography that reconstructs the elastic properties of tissue using images acquired under different loading conditions and a biomechanical model. Boundary conditions are a critical input to the algorithm and are often determined by time-consuming point correspondence methods requiring manual user input. This study presents a novel method of automatically generating boundary conditions by nonrigidly registering two image sets with a demons diffusion-based registration algorithm. The use of this method was successfully performed in silico using magnetic resonance and X-ray-computed tomography image data with known boundary conditions. These preliminary results produced boundary conditions with an accuracy of up to 80% compared to the known conditions. Demons-based boundary conditions were utilized within a 3-D MIE reconstruction to determine an elasticity contrast ratio between tumor and normal tissue. Two phantom experiments were then conducted to further test the accuracy of the demons boundary conditions and the MIE reconstruction arising from the use of these conditions. Preliminary results show a reasonable characterization of the material properties on this first attempt and a significant improvement in the automation level and viability of the method.

Emissivity of discretized diffusion problems

International Nuclear Information System (INIS)

Densmore, Jeffery D.; Davidson, Gregory; Carrington, David B.

2006-01-01

The numerical modeling of radiative transfer by the diffusion approximation can produce artificially damped radiation propagation if spatial cells are too optically thick. In this paper, we investigate this nonphysical behavior at external problem boundaries by examining the emissivity of the discretized diffusion approximation. We demonstrate that the standard cell-centered discretization produces an emissivity that is too low for optically thick cells, a situation that leads to the lack of radiation propagation. We then present a modified boundary condition that yields an accurate emissivity regardless of cell size. This modified boundary condition can be used with a deterministic calculation or as part of a hybrid transport-diffusion method for increasing the efficiency of Monte Carlo simulations. We also discuss the range of applicability, as a function of cell size and material properties, when this modified boundary condition is employed in a hybrid technique. With a set of numerical calculations, we demonstrate the accuracy and usefulness of this modified boundary condition

Diffusion of hydrogen from plasma source by grain boundaries in EFG silicon

International Nuclear Information System (INIS)

Fedotov, A.; Saad, Anis M.H.; Drozdov, N.; Mazanik, A.; Ulyashin, A.; Fahrner, W.R.; Stognii, A.

2001-01-01

Diffusion of atomized hydrogen along grain boundaries (GBs) studied by transformation of their electrical activity in p-type silicon bi crystalline samples cut from EFG silicon crystals was investigated. The changes in electrical activity of GBs was estimated relative to both minority (MiC) and majority (MaC) carriers and demonstrated the correlation between the type, structure and thermal pre-history of GBs. It was shown on the base of this study that diffusion along GBs depends essentially on three factors: type of GBs, state of ribbons (as-grown or annealed) and concurrence of grain boundary dangling bonds and boron passivation effects. The model of the longitudinal hydrogen diffusion that explains these results is proposed

Radial diffusion with outer boundary determined by geosynchronous measurements: Storm and post-storm intervals

Science.gov (United States)

Chu, F.; Haines, P.; Hudson, M.; Kress, B.; Freidel, R.; Kanekal, S.

2007-12-01

Work is underway by several groups to quantify diffusive radial transport of radiation belt electrons, including a model for pitch angle scattering losses to the atmosphere. The radial diffusion model conserves the first and second adiabatic invariants and breaks the third invariant. We have developed a radial diffusion code which uses the Crank Nicholson method with a variable outer boundary condition. For the radial diffusion coefficient, DLL, we have several choices, including the Brautigam and Albert (JGR, 2000) diffusion coefficient parameterized by Kp, which provides an ad hoc measure of the power level at ULF wave frequencies in the range of electron drift (mHz), breaking the third invariant. Other diffusion coefficient models are Kp-independent, fixed in time but explicitly dependent on the first invariant, or energy at a fixed L, such as calculated by Elkington et al. (JGR, 2003) and Perry et al. (JGR, 2006) based on ULF wave model fields. We analyzed three periods of electron flux and phase space density (PSD) enhancements inside of geosynchronous orbit: March 31 - May 31, 1991, and July 2004 and Nov 2004 storm intervals. The radial diffusion calculation is initialized with a computed phase space density profile for the 1991 interval using differential flux values from the CRRES High Energy Electron Fluxmeter instrument, covering 0.65 - 7.5 MeV. To calculate the initial phase space density, we convert Roederer L* to McIlwain's L- parameter using the ONERA-DESP program. A time averaged model developed by Vampola1 from the entire 14 month CRRES data set is applied to the July 2004 and Nov 2004 storms. The online CRESS data for specific orbits and the Vampola-model flux are both expressed in McIlwain L-shell, while conversion to L* conserves phase space density in a distorted non-dipolar magnetic field model. A Tsyganenko (T04) magnetic field model is used for conversion between L* and L. The outer boundary PSD is updated using LANL GEO satellite fluxes

Micromagnetic simulation of anisotropic grain boundary diffusion for sintered Nd-Fe-B magnets

Science.gov (United States)

Li, W.; Zhou, Q.; Zhao, L. Z.; Wang, Q. X.; Zhong, X. C.; Liu, Z. W.

2018-04-01

A systematic investigation on the anisotropic grain boundary diffusion in sintered Nd-Fe-B magnets is carried out by micromagnetic simulation. The results indicate that the critical reason for the anisotropic diffusion effect is not the difference in the amount of Dy diffused along different directions but the macroscopic demagnetizing field. The diffusion parallel to the easy axis from both pole surfaces of the magnet can increase the nucleation fields in the two major regions with large macroscopic demagnetizing fields, where the reverse domains can nucleate easily. As a consequence, the grain boundary diffusion along the directions parallel to the easy axis from two pole surfaces is more effective to improve the coercivity of the magnets than that along other directions. It is also found that, to enhance the coercivity, only a limited diffusion depth is required. The present result is in good agreement with the recent experimental findings.

Oxygen diffusion in nanocrystalline yttria-stabilized zirconia: the effect of grain boundaries.

Science.gov (United States)

De Souza, Roger A; Pietrowski, Martha J; Anselmi-Tamburini, Umberto; Kim, Sangtae; Munir, Zuhair A; Martin, Manfred

2008-04-21

The transport of oxygen in dense samples of yttria-stabilized zirconia (YSZ), of average grain size d approximately 50 nm, has been studied by means of 18O/16O exchange annealing and secondary ion mass spectrometry (SIMS). Oxygen diffusion coefficients (D*) and oxygen surface exchange coefficients (k*) were measured for temperatures 673diffusion along grain boundaries. Rather, the analysis indicates that grain boundaries hinder oxygen transport.

Low temperature grain boundary diffusion of chromium in SUS316 and 316L stainless steels

International Nuclear Information System (INIS)

Mizouchi, Masaki; Yamazaki, Yoshihiro; Iijima, Yoshiaki; Arioka, Koji

2004-01-01

Grain boundary diffusivity of chromium is SUS316 and 316L stainless steels has been determined in the temperature range between 518 and 1173 K. The magnitudes of the grain boundary diffusivities in four kinds of specimens are in the order of the cold-worked SUS316, the solution-treated SUS316L, the solution-treated SUS316 and the sensitized SUS316. The grain boundary diffusivities in these specimens are remarkably higher than those of previous works. The activation energies for the former are 85-91 kJmol -1 , whereas those for the latter are 151-234 kJmol -1 . (author)

Hydrogen diffusion along grain boundaries in erbium oxide coatings

International Nuclear Information System (INIS)

Mao, Wei; Chikada, Takumi; Suzuki, Akihiro; Terai, Takayuki

2014-01-01

Diffusion of interstitial atomic hydrogen in erbium oxide (Er 2 O 3 ) was investigated using density functional theory (DFT) and molecular dynamics (MD) methods. Hydrogen diffusivity in bulk, on (0 0 1) surface, and along Σ13 (4–3–1)/[1 1 1] symmetric tilt grain boundaries (GBs) were evaluated in a temperature range of 673–1073 K, as well as hydrogen diffusion barriers. It was found that H diffusion shows the faster on (0 0 1) surface than along GBs and in bulk. Also, energy barrier of H diffusion in bulk estimated by DFT and MD methods is somewhat higher than that along GBs evaluated in the experiments. This suggests that H diffusion in Er 2 O 3 coatings depends on GBs rather than bulk. In addition, with a correction of GB density, the simulated diffusivity along GBs in MD simulations is in good agreement with the experimental data within one order of magnitude. The discrepancy of H diffusivity between the experiments and the simulations should be reduced by considering H concentration, H diffusion direction, deviations of the initial configuration, vacancy defects, etc

Retardation of grain boundary self-diffusion in nickel doped with antimony and tin

International Nuclear Information System (INIS)

Padgett, R.A.; White, C.L.

1984-01-01

Many important metallurgical phenomena are strongly influenced or controlled by grain boundary mass transport. There is also much evidence that the composition of grain boundaries is often significantly different from the overall composition of metals and alloys, owing to strong segregation of residual (and often undetected) impurities. This segregation, which does not always advertise its presence through grain boundary brittleness, may vary markedly from heat to heat, and occasionally from specimen to specimen within a given heat. Unfortunately, there are relatively few experimental observations of how such segregation affects grain boundary mass transport, and even less fundamental understanding of how these effects occur. In this paper we present autoradiographic results on self-diffusion of 63 Ni in nickel and nickel doped with antimony and tin. While these results do not permit a quantitative evaluation of the grain boundary diffusivity, D, they qualitatively illustrate the dramatic effect that these solute elements have on the ability of nickel grain boundaries to act as preferential paths for mass transport

Asymptotic properties of blow-up solutions in reaction-diffusion equations with nonlocal boundary flux

Science.gov (United States)

Liu, Bingchen; Dong, Mengzhen; Li, Fengjie

2018-04-01

This paper deals with a reaction-diffusion problem with coupled nonlinear inner sources and nonlocal boundary flux. Firstly, we propose the critical exponents on nonsimultaneous blow-up under some conditions on the initial data. Secondly, we combine the scaling technique and the Green's identity method to determine four kinds of simultaneous blow-up rates. Thirdly, the lower and the upper bounds of blow-up time are derived by using Sobolev-type differential inequalities.

Automatic kinetic Monte-Carlo modeling for impurity atom diffusion in grain boundary structure of tungsten material

Directory of Open Access Journals (Sweden)

Atsushi M. Ito

2017-08-01

Full Text Available The diffusion process of hydrogen and helium in plasma-facing material depends on the grain boundary structures. Whether a grain boundary accelerates or limits the diffusion speed of these impurity atoms is not well understood. In the present work, we proposed the automatic modeling of a kinetic Monte-Carlo (KMC simulation to treat an asymmetric grain boundary structure that corresponds to target samples used in fusion material experiments for retention and permeation. In this method, local minimum energy sites and migration paths for impurity atoms in the grain boundary structure are automatically found using localized molecular dynamics. The grain boundary structure was generated with the Voronoi diagram. Consequently, we demonstrate that the KMC simulation for the diffusion process of impurity atoms in the generated grain boundary structure of tungsten material can be performed.

Study of twist boundaries in aluminium. Structure and intergranular diffusion

International Nuclear Information System (INIS)

Lemuet, Daniel

1981-01-01

This research thesis addresses the study of grain boundaries in oriented crystals, and more particularly the systematic calculation of intergranular structures and energies of twist boundaries of <001> axis in aluminium, the determination of intergranular diffusion coefficients of zinc in a set of twist bi-crystals of same axis encompassing a whole range of disorientations, and the search for a correlation between these experimental results and calculated structures

Non-fragile consensus algorithms for a network of diffusion PDEs with boundary local interaction

Science.gov (United States)

Xiong, Jun; Li, Junmin

2017-07-01

In this study, non-fragile consensus algorithm is proposed to solve the average consensus problem of a network of diffusion PDEs, modelled by boundary controlled heat equations. The problem deals with the case where the Neumann-type boundary controllers are corrupted by additive persistent disturbances. To achieve consensus between agents, a linear local interaction rule addressing this requirement is given. The proposed local interaction rules are analysed by applying a Lyapunov-based approach. The multiplicative and additive non-fragile feedback control algorithms are designed and sufficient conditions for the consensus of the multi-agent systems are presented in terms of linear matrix inequalities, respectively. Simulation results are presented to support the effectiveness of the proposed algorithms.

The boundary condition for vertical velocity and its interdependence with surface gas exchange

Science.gov (United States)

Kowalski, Andrew S.

2017-07-01

The law of conservation of linear momentum is applied to surface gas exchanges, employing scale analysis to diagnose the vertical velocity (w) in the boundary layer. Net upward momentum in the surface layer is forced by evaporation (E) and defines non-zero vertical motion, with a magnitude defined by the ratio of E to the air density, as w = E/ρ. This is true even right down at the surface where the boundary condition is w|0 = E/ρ|0 (where w|0 and ρ|0 represent the vertical velocity and density of air at the surface). This Stefan flow velocity implies upward transport of a non-diffusive nature that is a general feature of the troposphere but is of particular importance at the surface, where it assists molecular diffusion with upward gas migration (of H2O, for example) but opposes that of downward-diffusing species like CO2 during daytime. The definition of flux-gradient relationships (eddy diffusivities) requires rectification to exclude non-diffusive transport, which does not depend on scalar gradients. At the microscopic scale, the role of non-diffusive transport in the process of evaporation from inside a narrow tube - with vapour transport into an overlying, horizontal airstream - was described long ago in classical mechanics and is routinely accounted for by chemical engineers, but has been neglected by scientists studying stomatal conductance. Correctly accounting for non-diffusive transport through stomata, which can appreciably reduce net CO2 transport and marginally boost that of water vapour, should improve characterisations of ecosystem and plant functioning.

Diffuse interface immersed boundary method for multi-fluid flows with arbitrarily moving rigid bodies

Science.gov (United States)

Patel, Jitendra Kumar; Natarajan, Ganesh

2018-05-01

We present an interpolation-free diffuse interface immersed boundary method for multiphase flows with moving bodies. A single fluid formalism using the volume-of-fluid approach is adopted to handle multiple immiscible fluids which are distinguished using the volume fractions, while the rigid bodies are tracked using an analogous volume-of-solid approach that solves for the solid fractions. The solution to the fluid flow equations are carried out using a finite volume-immersed boundary method, with the latter based on a diffuse interface philosophy. In the present work, we assume that the solids are filled with a "virtual" fluid with density and viscosity equal to the largest among all fluids in the domain. The solids are assumed to be rigid and their motion is solved using Newton's second law of motion. The immersed boundary methodology constructs a modified momentum equation that reduces to the Navier-Stokes equations in the fully fluid region and recovers the no-slip boundary condition inside the solids. An implicit incremental fractional-step methodology in conjunction with a novel hybrid staggered/non-staggered approach is employed, wherein a single equation for normal momentum at the cell faces is solved everywhere in the domain, independent of the number of spatial dimensions. The scalars are all solved for at the cell centres, with the transport equations for solid and fluid volume fractions solved using a high-resolution scheme. The pressure is determined everywhere in the domain (including inside the solids) using a variable coefficient Poisson equation. The solution to momentum, pressure, solid and fluid volume fraction equations everywhere in the domain circumvents the issue of pressure and velocity interpolation, which is a source of spurious oscillations in sharp interface immersed boundary methods. A well-balanced algorithm with consistent mass/momentum transport ensures robust simulations of high density ratio flows with strong body forces. The

Measurement of grain-boundary diffusion at low temperature by the surface-accumulation method. II. Results for gold-silver system

International Nuclear Information System (INIS)

Hwang, J.C.M.; Pan, J.D.; Balluffi, R.W.

1979-01-01

Grain-boundary diffusion rates in the gold-silver system were measured at relatively low temperatures by the surface-accumulation method which was analyzed in Paper I. The specimen was a polycrystalline gold film possessing columnar grains on which a silver layer was initially deposited epitaxially on one surface. During subsequent low-temperature annealing lattice diffusion was frozen out, and diffusion then occurred along the grain boundary and free-surface short circuits. The silver, therefore, diffused into the film from the silver layer along the boundaries, eventually reaching the opposite surface where it accumulated and was measured by Auger spectroscopy. The silver layer acted as an effective constant silver source, and grain-boundary diffusivities were calculated from the accumulation data. However, the exact location of the effective constant source in the silver layer could not be determined and this led to an uncertainty in the values of the grain-boundary diffusivities of a factor of 10. Lower- and upper-bound values were therefore described by D/sub b/(lower bound) =7.8 x 10 -6 exp(-0.62eV/kT) and D/sub b/(upper bound) =7.8 x 10 -5 exp(-0.62eV/kT) cm 2 /s in the temperature range 30--269 0 C. An examination of available grain-boundary diffusion data (including the present) suggests a tendency for the observed activation energy to decrease with decreasing temperature, and this was ascribed to a spectrum of activated jumps in the grain boundary and/or a spectrum of grain-boundary types in the specimen employed. The constant source behavior was tentatively ascribed, at least in part, to a grain-boundary ''Kirkendall effect'' resulting from the faster diffusion of silver than gold. The work indicates a need for increased understanding of the details of grain-boundary diffusion in alloys

A minimally-resolved immersed boundary model for reaction-diffusion problems

OpenAIRE

Pal Singh Bhalla, A; Griffith, BE; Patankar, NA; Donev, A

2013-01-01

We develop an immersed boundary approach to modeling reaction-diffusion processes in dispersions of reactive spherical particles, from the diffusion-limited to the reaction-limited setting. We represent each reactive particle with a minimally-resolved "blob" using many fewer degrees of freedom per particle than standard discretization approaches. More complicated or more highly resolved particle shapes can be built out of a collection of reactive blobs. We demonstrate numerically that the blo...

Formation of multiple stoichiometric phases in binary systems by combined bulk and grain boundary diffusion: Experiments and model

International Nuclear Information System (INIS)

Svoboda, J.; Fischer, F.D.; Schillinger, W.

2013-01-01

The thermodynamic extremal principle has been used by the authors to treat the evolution of binary and multicomponent systems under the assumption that all phases are nearly stoichiometric. Up to now only bulk diffusion has been taken into account. The concept is now extended to combined bulk and grain boundary diffusion possible in each newly formed phase. The grains are approximated by cylinders allowing interface diffusion along the top and bottom of the grains and grain boundary diffusion along the mantle with different interface/grain boundary diffusion coefficients. A consistent analysis yields an effective diffusion coefficient taking into account the combined interface/grain boundary and bulk diffusion of each individual component. The current concept is applied to the Cu–Sn couple which has been studied by a number of researchers. The results of simulations are compared with experiments at 200 °C on solid systems reported in the literature as well as with our experiments at 250 °C with liquid Sn.

A high-order boundary integral method for surface diffusions on elastically stressed axisymmetric rods

OpenAIRE

Li, Xiaofan; Nie, Qing

2009-01-01

Many applications in materials involve surface diffusion of elastically stressed solids. Study of singularity formation and long-time behavior of such solid surfaces requires accurate simulations in both space and time. Here we present a high-order boundary integral method for an elastically stressed solid with axi-symmetry due to surface diffusions. In this method, the boundary integrals for isotropic elasticity in axi-symmetric geometry are approximated through modified alternating quadratu...

On Hydroelastic Body-Boundary Condition of Floating Structures

DEFF Research Database (Denmark)

Xia, Jinzhu

1996-01-01

A general linear body boundary condition of hydroelastic analysis of arbitrary shaped floating structures generalizes the classic kinematic rigid-body (Timman-Newman) boundary condition for seakeeping problems. The new boundary condition is consistent with the existing theories under certain...

Disorder-induced transition from grain boundary to bulk dominated ionic diffusion in pyrochlores

International Nuclear Information System (INIS)

Perriot, Romain; Dholabhai, Pratik P.; Uberuaga, Blas P.

2017-01-01

In this paper, we use molecular dynamics simulations to investigate the role of grain boundaries (GBs) on ionic diffusion in pyrochlores, as a function of the GB type, chemistry of the compound, and level of cation disorder. We observe that the presence of GBs promotes oxygen transport in ordered and low-disordered systems, as the GBs are found to have a higher concentration of mobile carriers with higher mobilities than in the bulk. Thus, in ordered samples, the ionic diffusion is 2D, localized along the grain boundary. When cation disorder is introduced, bulk carriers begin to contribute to the overall diffusion, while the GB contribution is only slightly enhanced. In highly disordered samples, the diffusive behavior at the GBs is bulk-like, and the two contributions (bulk vs. GB) can no longer be distinguished. There is thus a transition from 2D/GB dominated oxygen diffusivity to 3D/bulk dominated diffusivity versus disorder in pyrochlores. Finally, these results provide new insights into the possibility of using internal interfaces to enhance ionic conductivity in nanostructured complex oxides.

On the radiative transfer problem in a spherical medium subject to Fresnel's reflective boundary conditions

International Nuclear Information System (INIS)

Mohammed, M.H.H.

2012-01-01

Radiation transfer problem for anisotropic scattering in a spherical homogeneous, turbid medium with angular dependent (specular) and diffuse reflecting boundary is considered. The angular dependent reflectivity of the boundary is considered as Fresnel's reflection probability function. The solution of the problem containing an energy source in a medium of specular and diffuse reflecting boundaries is given in terms of the solution of the source-free problem. The source-free problem for anisotropic scattering through a homogeneous solid sphere and two concentric spheres is solved by using the Pomraning- Eddington approximation method. This method transform the integro-differential equation into two differential equations for the radiance g (x) and net flux q (x) which has an analytical solution in terms of the modified Bessel function. Two different weight functions are used to verify the boundary conditions and so, find the solution constants. The partial heat fluxes at the boundaries of a solid sphere and spherical shell of transparent and reflecting boundaries are calculated. The media are taken with or without internal black-body radiation. The calculations are carried out for various values of refractive index and different radii. The results are compared with those of the Galerkin technique

The boundary condition for vertical velocity and its interdependence with surface gas exchange

Directory of Open Access Journals (Sweden)

A. S. Kowalski

2017-07-01

Full Text Available The law of conservation of linear momentum is applied to surface gas exchanges, employing scale analysis to diagnose the vertical velocity (w in the boundary layer. Net upward momentum in the surface layer is forced by evaporation (E and defines non-zero vertical motion, with a magnitude defined by the ratio of E to the air density, as w = E/ρ. This is true even right down at the surface where the boundary condition is w|0 = E/ρ|0 (where w|0 and ρ|0 represent the vertical velocity and density of air at the surface. This Stefan flow velocity implies upward transport of a non-diffusive nature that is a general feature of the troposphere but is of particular importance at the surface, where it assists molecular diffusion with upward gas migration (of H2O, for example but opposes that of downward-diffusing species like CO2 during daytime. The definition of flux–gradient relationships (eddy diffusivities requires rectification to exclude non-diffusive transport, which does not depend on scalar gradients. At the microscopic scale, the role of non-diffusive transport in the process of evaporation from inside a narrow tube – with vapour transport into an overlying, horizontal airstream – was described long ago in classical mechanics and is routinely accounted for by chemical engineers, but has been neglected by scientists studying stomatal conductance. Correctly accounting for non-diffusive transport through stomata, which can appreciably reduce net CO2 transport and marginally boost that of water vapour, should improve characterisations of ecosystem and plant functioning.

Matrix-type multiple reciprocity boundary element method for solving three-dimensional two-group neutron diffusion equations

International Nuclear Information System (INIS)

Itagaki, Masafumi; Sahashi, Naoki.

1997-01-01

The multiple reciprocity boundary element method has been applied to three-dimensional two-group neutron diffusion problems. A matrix-type boundary integral equation has been derived to solve the first and the second group neutron diffusion equations simultaneously. The matrix-type fundamental solutions used here satisfy the equation which has a point source term and is adjoint to the neutron diffusion equations. A multiple reciprocity method has been employed to transform the matrix-type domain integral related to the fission source into an equivalent boundary one. The higher order fundamental solutions required for this formulation are composed of a series of two types of analytic functions. The eigenvalue itself is also calculated using only boundary integrals. Three-dimensional test calculations indicate that the present method provides stable and accurate solutions for criticality problems. (author)

Boundary-induced pattern formation from uniform temporal oscillation

Science.gov (United States)

Kohsokabe, Takahiro; Kaneko, Kunihiko

2018-04-01

Pattern dynamics triggered by fixing a boundary is investigated. By considering a reaction-diffusion equation that has a unique spatially uniform and limit cycle attractor under a periodic or Neumann boundary condition, and then by choosing a fixed boundary condition, we found three novel phases depending on the ratio of diffusion constants of activator to inhibitor: transformation of temporally periodic oscillation into a spatially periodic fixed pattern, travelling wave emitted from the boundary, and aperiodic spatiotemporal dynamics. The transformation into a fixed, periodic pattern is analyzed by crossing of local nullclines at each spatial point, shifted by diffusion terms, as is analyzed by using recursive equations, to obtain the spatial pattern as an attractor. The generality of the boundary-induced pattern formation as well as its relevance to biological morphogenesis is discussed.

Modeling Simple Driving Tasks with a One-Boundary Diffusion Model

Science.gov (United States)

Ratcliff, Roger; Strayer, David

2014-01-01

A one-boundary diffusion model was applied to the data from two experiments in which subjects were performing a simple simulated driving task. In the first experiment, the same subjects were tested on two driving tasks using a PC-based driving simulator and the psychomotor vigilance test (PVT). The diffusion model fit the response time (RT) distributions for each task and individual subject well. Model parameters were found to correlate across tasks which suggests common component processes were being tapped in the three tasks. The model was also fit to a distracted driving experiment of Cooper and Strayer (2008). Results showed that distraction altered performance by affecting the rate of evidence accumulation (drift rate) and/or increasing the boundary settings. This provides an interpretation of cognitive distraction whereby conversing on a cell phone diverts attention from the normal accumulation of information in the driving environment. PMID:24297620

Diffusive boundary layers at the bottom of gaps and cracks

Science.gov (United States)

Etzold, Merlin A.; Landel, Julien R.; Dalziel, Stuart B.

2017-11-01

This work is motivated by the chemical decontamination of droplets of chemical warfare agents trapped in the gaps and cracks found in most man-made objects. We consider axial laminar flow within gaps with both straight and angled walls. We study the diffusive mass transfer from a source (e.g. a droplet surface) located at the bottom of the gap. This problem is similar to boundary layers and Graetz-type problems (heat transfer in pipe flow) with the added complication of a non-uniform lateral concentration profile due to the lateral variation of the velocity profile. We present 3D solutions for the diffusive boundary layer and demonstrate that a 2D mean-field model, for which we calculate series and similarity solutions, captures the essential physics. We demonstrate the immediate practical relevance of our findings by comparing decontamination of a droplet located in a gap and on an exposed surface.

A new top boundary condition for modeling surface diffusive exchange of a generic volatile tracer: theoretical analysis and application to soil evaporation

Directory of Open Access Journals (Sweden)

J. Y. Tang

2013-02-01

Full Text Available We describe a new top boundary condition (TBC for representing the air–soil diffusive exchange of a generic volatile tracer. This new TBC (1 accounts for the multi-phase flow of a generic tracer; (2 accounts for effects of soil temperature, pH, solubility, sorption, and desorption processes; (3 enables a smooth transition between wet and dry soil conditions; (4 is compatible with the conductance formulation for modeling air–water volatile tracer exchange; and (5 is applicable to site, regional, and global land models.

Based on the new TBC, we developed new formulations for bare-soil resistance and corresponding soil evaporation efficiency. The new soil resistance is predicted as the reciprocal of the harmonic sum of two resistances: (1 gaseous and aqueous molecular diffusion and (2 liquid mass flow resulting from the hydraulic pressure gradient between the soil surface and center of the topsoil control volume. We compared the predicted soil evaporation efficiency with those from several field and laboratory soil evaporation measurements and found good agreement with the typically observed two-stage soil evaporation curves. Comparison with the soil evaporation efficiency equation of Lee and Pielke (1992; hereafter LP92 indicates that their equation can overestimate soil evaporation when the atmospheric resistance is low and underestimate soil evaporation when the soil is dry. Using a synthetic inversion experiment, we demonstrated that using inverted soil resistance data from field measurements to derive empirical soil resistance formulations resulted in large uncertainty because (1 the inverted soil resistance data are always severely impacted by measurement error and (2 the derived empirical equation is very sensitive to the number of data points and the assumed functional form of the resistance.

We expect the application of our new TBC in land models will provide a consistent representation for the diffusive tracer

A non-local computational boundary condition for duct acoustics

Science.gov (United States)

Zorumski, William E.; Watson, Willie R.; Hodge, Steve L.

1994-01-01

A non-local boundary condition is formulated for acoustic waves in ducts without flow. The ducts are two dimensional with constant area, but with variable impedance wall lining. Extension of the formulation to three dimensional and variable area ducts is straightforward in principle, but requires significantly more computation. The boundary condition simulates a nonreflecting wave field in an infinite duct. It is implemented by a constant matrix operator which is applied at the boundary of the computational domain. An efficient computational solution scheme is developed which allows calculations for high frequencies and long duct lengths. This computational solution utilizes the boundary condition to limit the computational space while preserving the radiation boundary condition. The boundary condition is tested for several sources. It is demonstrated that the boundary condition can be applied close to the sound sources, rendering the computational domain small. Computational solutions with the new non-local boundary condition are shown to be consistent with the known solutions for nonreflecting wavefields in an infinite uniform duct.

A theoretical model of grain boundary self-diffusion in metals with phase transitions (case study into titanium and zirconium)

Science.gov (United States)

Semenycheva, Alexandra V.; Chuvil'deev, Vladimir N.; Nokhrin, Aleksey V.

2018-05-01

The paper offers a model describing the process of grain boundary self-diffusion in metals with phase transitions in the solid state. The model is based on ideas and approaches found in the theory of non-equilibrium grain boundaries. The range of application of basic relations contained in this theory is shown to expand, as they can be used to calculate the parameters of grain boundary self-diffusion in high-temperature and low-temperature phases of metals with a phase transition. The model constructed is used to calculate grain boundary self-diffusion activation energy in titanium and zirconium and an explanation is provided as to their abnormally low values in the low-temperature phase. The values of grain boundary self-diffusion activation energy are in good agreement with the experiment.

Self-diffusion and heterodiffusion in Zr-2.5%Nb α/β interfaces comparison with grain boundary diffusion in α-Zr

International Nuclear Information System (INIS)

Iribarren, M.J.; Dyment, F.

1991-01-01

Conventional radioactive tracer section techniques were used to make an experimental determination of diffusion parameters for Zr, Nb and Ni along the α/β boundary interfaces of Zr-2.5%Nb and comparing them with those for Zr, Nb and Co in α-Zr grain boundaries. Both determinations were made for a wide range of temperatures, including reactor working temperatures. Different materials were used for this purpose, both specially prepared alloys for diffusion experiments and part of the material from the actual pressure tubes. Different stabilizing thermal treatments were performed and results were analyzed based on the different morphologies obtained. (Author) [es

Antireflective Boundary Conditions for Deblurring Problems

Directory of Open Access Journals (Sweden)

Marco Donatelli

2010-01-01

Full Text Available This survey paper deals with the use of antireflective boundary conditions for deblurring problems where the issues that we consider are the precision of the reconstruction when the noise is not present, the linear algebra related to these boundary conditions, the iterative and noniterative regularization solvers when the noise is considered, both from the viewpoint of the computational cost and from the viewpoint of the quality of the reconstruction. In the latter case, we consider a reblurring approach that replaces the transposition operation with correlation. For many of the considered items, the anti-reflective algebra coming from the given boundary conditions is the optimal choice. Numerical experiments corroborating the previous statement and a conclusion section end the paper.

Integral Method of Boundary Characteristics: Neumann Condition

Science.gov (United States)

Kot, V. A.

2018-05-01

A new algorithm, based on systems of identical equalities with integral and differential boundary characteristics, is proposed for solving boundary-value problems on the heat conduction in bodies canonical in shape at a Neumann boundary condition. Results of a numerical analysis of the accuracy of solving heat-conduction problems with variable boundary conditions with the use of this algorithm are presented. The solutions obtained with it can be considered as exact because their errors comprise hundredths and ten-thousandths of a persent for a wide range of change in the parameters of a problem.

Fluid-solid boundary conditions for multiparticle collision dynamics

International Nuclear Information System (INIS)

Whitmer, Jonathan K; Luijten, Erik

2010-01-01

The simulation of colloidal particles suspended in solvent requires an accurate representation of the interactions between the colloids and the solvent molecules. Using the multiparticle collision dynamics method, we examine several proposals for stick boundary conditions, studying their properties in both plane Poiseuille flow (where fluid interacts with the boundary of a stationary macroscopic solid) and particle-based colloid simulations (where the boundaries are thermally affected and in motion). In addition, our simulations compare various collision rules designed to remove spurious slip near solid surfaces, and the effects of these rules on the thermal motion of colloidal particles. Furthermore, we demonstrate that stochastic reflection of the fluid at solid boundaries fails to faithfully represent stick boundary conditions, and conclude that bounce-back conditions should be applied at both mobile and stationary surfaces. Finally, we generalize these ideas to create partial slip boundary conditions at both stationary and mobile surfaces.

A Hierarchical Bayesian Setting for an Inverse Problem in Linear Parabolic PDEs with Noisy Boundary Conditions

KAUST Repository

Ruggeri, Fabrizio

2016-05-12

In this work we develop a Bayesian setting to infer unknown parameters in initial-boundary value problems related to linear parabolic partial differential equations. We realistically assume that the boundary data are noisy, for a given prescribed initial condition. We show how to derive the joint likelihood function for the forward problem, given some measurements of the solution field subject to Gaussian noise. Given Gaussian priors for the time-dependent Dirichlet boundary values, we analytically marginalize the joint likelihood using the linearity of the equation. Our hierarchical Bayesian approach is fully implemented in an example that involves the heat equation. In this example, the thermal diffusivity is the unknown parameter. We assume that the thermal diffusivity parameter can be modeled a priori through a lognormal random variable or by means of a space-dependent stationary lognormal random field. Synthetic data are used to test the inference. We exploit the behavior of the non-normalized log posterior distribution of the thermal diffusivity. Then, we use the Laplace method to obtain an approximated Gaussian posterior and therefore avoid costly Markov Chain Monte Carlo computations. Expected information gains and predictive posterior densities for observable quantities are numerically estimated using Laplace approximation for different experimental setups.

Surface free energy for systems with integrable boundary conditions

International Nuclear Information System (INIS)

Goehmann, Frank; Bortz, Michael; Frahm, Holger

2005-01-01

The surface free energy is the difference between the free energies for a system with open boundary conditions and the same system with periodic boundary conditions. We use the quantum transfer matrix formalism to express the surface free energy in the thermodynamic limit of systems with integrable boundary conditions as a matrix element of certain projection operators. Specializing to the XXZ spin-1/2 chain we introduce a novel 'finite temperature boundary operator' which characterizes the thermodynamical properties of surfaces related to integrable boundary conditions

Nonlinear Elliptic Boundary Value Problems at Resonance with Nonlinear Wentzell Boundary Conditions

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Ciprian G. Gal

2017-01-01

Full Text Available Given a bounded domain Ω⊂RN with a Lipschitz boundary ∂Ω and p,q∈(1,+∞, we consider the quasilinear elliptic equation -Δpu+α1u=f in Ω complemented with the generalized Wentzell-Robin type boundary conditions of the form bx∇up-2∂nu-ρbxΔq,Γu+α2u=g on ∂Ω. In the first part of the article, we give necessary and sufficient conditions in terms of the given functions f, g and the nonlinearities α1, α2, for the solvability of the above nonlinear elliptic boundary value problems with the nonlinear boundary conditions. In other words, we establish a sort of “nonlinear Fredholm alternative” for our problem which extends the corresponding Landesman and Lazer result for elliptic problems with linear homogeneous boundary conditions. In the second part, we give some additional results on existence and uniqueness and we study the regularity of the weak solutions for these classes of nonlinear problems. More precisely, we show some global a priori estimates for these weak solutions in an L∞-setting.

Accelerated diffusion controlled creep of polycrystalline materials. Communication 1. Model of diffusion controlled creep acceleration

International Nuclear Information System (INIS)

Smirnova, E.S.; Chuvil'deev, V.N.

1998-01-01

The model is suggested which describes the influence of large-angle grain boundary migration on a diffusion controlled creep rate in polycrystalline materials (Coble creep). The model is based on the concept about changing the value of migrating boundary free volume when introducing dislocations distributed over the grain bulk into this boundary. Expressions are obtained to calculate the grain boundary diffusion coefficient under conditions of boundary migration and the parameter, which characterized the value of Coble creep acceleration. A comparison is made between calculated and experimental data for Cd, Co and Fe

Hydrodynamic theory of convective transport across a dynamically stabilized diffuse boundary layer

International Nuclear Information System (INIS)

Gerhauser, H.

1983-09-01

The diffuse boundary layer between miscible liquids is subject to Rayleigh-Taylor instabilities if the heavy fluid is supported by the light one. The resulting rapid interchange of the liquids can be suppressed by enforcing vertical oscillations on the whole system. This dynamic stabilization is incomplete and produces some peculiar novel transport phenomena such as decay off the density profile into several steps, periodic peeling of density sheets of the boundary layer and the appearance of steady vortex flow. The theory presented in this paper identifies the basic mechanism as formation of convective cells leading to enhanced diffusion, and explains previous experimental results with water and ZnJ 2 -solutions. A nonlinear treatment of the stationary convective flow problem gives the saturation amplitude of the ground mode and provides an upper bound for the maximum convective transport. The hydrodynamic model can be used for visualizing similar transport processes in the plasma of toroidal confinement devices such as sawtooth oscillations in soft disruptions of tokamak discharges and anomalous diffusion by excitation of convective cells. The latter process is investigated here in some detail, leading to the result that the maximum possible transport is of the order of Bohm diffusion. (orig.)

Two-dimensional boundary-value problem for ion-ion diffusion

International Nuclear Information System (INIS)

Tuszewski, M.; Lichtenberg, A.J.

1977-01-01

Like-particle diffusion is usually negligible compared with unlike-particle diffusion because it is two orders higher in spatial derivatives. When the ratio of the ion gyroradius to the plasma transverse dimension is of the order of the fourth root of the mass ratio, previous one-dimensional analysis indicated that like-particle diffusion is significant. A two-dimensional boundary-value problem for ion-ion diffusion is investigated. Numerical solutions are found with models for which the nonlinear partial differential equation reduces to an ordinary fourth-order differential equation. These solutions indicate that the ion-ion losses are higher by a factor of six for a slab geometry, and by a factor of four for circular geometry, than estimated from dimensional analysis. The solutions are applied to a multiple mirror experiment stabilized with a quadrupole magnetic field which generates highly elliptical flux surfaces. It is found that the ion-ion losses dominate the electron-ion losses and that these classical radial losses contribute to a significant decrease of plasma lifetime, in qualitiative agreement with the experimental results

Discrete transparent boundary conditions for Schroedinger-type equations

International Nuclear Information System (INIS)

Schmidt, F.; Yevick, D.

1997-01-01

We present a general technique for constructing nonlocal transparent boundary conditions for one-dimensional Schroedinger-type equations. Our method supplies boundary conditions for the θ-family of implicit one-step discretizations of Schroedinger's equation in time. The use of Mikusinski's operator approach in time avoids direct and inverse transforms between time and frequency domains and thus implements the boundary conditions in a direct manner. 14 refs., 9 figs

The potential role of diffusion-induced grain-boundary migration in extended life prediction

International Nuclear Information System (INIS)

Handwerker, C.A.; Blendell, J.E.; Interrante, C.G.; Ahn, T.M.

1993-01-01

The selection of materials that are suitable for various high-level waste-packaging designs must reflect the need to meet requirements for long-term performance in repository environments that change with time. With this in mind, we examine how grain boundaries in materials are induced to migrate as a result of solute diffusion even at low temperatures, how the composition of the matrix material is changed significantly by this diffusion-induced grain boundary migration (DIGM), and how the changing microstructures and compositions during DIGM lead to major changes in materials performance, such as corrosion or embrittlement. Methods are discussed for prediction of the long-term behavior of materials affected by DIGM

Diffusive boundary layers and photosynthesis of the epilithic algal community of coral reefs

DEFF Research Database (Denmark)

Larkum, Anthony W.D.; Koch, Eva-Maria W.; Kühl, Michael

2003-01-01

The effects of mass transfer resistance due to the presence of a diffusive boundary layer on the photosynthesis of the epilithic algal community (EAC) of a coral reef were studied. Photosynthesis and respiration of the EAC of dead coral surfaces were investigated for samples from two locations......: the Gulf of Aqaba, Eilat (Israel), and One Tree Reef on the Great Barrier Reef (Australia). Microsensors were used to measure O2 and pH at the EAC surface and above. Oxygen profiles in the light and dark indicated a diffusive boundary layer (DBL) thickness of 180–590 µm under moderate flow (~0.08 m s-1...

Moving-boundary problems for the time-fractional diffusion equation

Directory of Open Access Journals (Sweden)

Sabrina D. Roscani

2017-02-01

Full Text Available We consider a one-dimensional moving-boundary problem for the time-fractional diffusion equation. The time-fractional derivative of order $\\alpha\\in (0,1$ is taken in the sense of Caputo. We study the asymptotic behaivor, as t tends to infinity, of a general solution by using a fractional weak maximum principle. Also, we give some particular exact solutions in terms of Wright functions.

Meso-microstructural computational simulation of the hydrogen permeation test to calculate intergranular, grain boundary and effective diffusivities

Energy Technology Data Exchange (ETDEWEB)

Jothi, S., E-mail: s.jothi@swansea.ac.uk [College of Engineering, Swansea University, Singleton Park, Swansea SA2 8PP (United Kingdom); Winzer, N. [Fraunhofer Institute for Mechanics of Materials IWM, Wöhlerstraße 11, 79108 Freiburg (Germany); Croft, T.N.; Brown, S.G.R. [College of Engineering, Swansea University, Singleton Park, Swansea SA2 8PP (United Kingdom)

2015-10-05

Highlights: • Characterized polycrystalline nickel microstructure using EBSD analysis. • Development meso-microstructural model based on real microstructure. • Calculated effective diffusivity using experimental electrochemical permeation test. • Calculated intergranular diffusivity of hydrogen using computational FE simulation. • Validated the calculated computation simulation results with experimental results. - Abstract: Hydrogen induced intergranular embrittlement has been identified as a cause of failure of aerospace components such as combustion chambers made from electrodeposited polycrystalline nickel. Accurate computational analysis of this process requires knowledge of the differential in hydrogen transport in the intergranular and intragranular regions. The effective diffusion coefficient of hydrogen may be measured experimentally, though experimental measurement of the intergranular grain boundary diffusion coefficient of hydrogen requires significant effort. Therefore an approach to calculate the intergranular GB hydrogen diffusivity using finite element analysis was developed. The effective diffusivity of hydrogen in polycrystalline nickel was measured using electrochemical permeation tests. Data from electron backscatter diffraction measurements were used to construct microstructural representative volume elements including details of grain size and shape and volume fraction of grains and grain boundaries. A Python optimization code has been developed for the ABAQUS environment to calculate the unknown grain boundary diffusivity.

Analysis of nuclide transport under natural convection and time dependent boundary condition using TOUGH2

Energy Technology Data Exchange (ETDEWEB)

Javeri, V. [Gesellschaft fuer Anlagen- und Reaktorsicherheit (GRS) mbH, Koeln (Germany)

1995-03-01

After implementation of TOUGH2 at GRS in summer 91, it was first used to analyse the gas transport in a repository for the nuclear waste with negligible heat generation and to verify the results obtained with ECLIPSE/JAV 92/. Since the original version of TOUGH2 does not directly simulate the decay of radionuclide and the time dependent boundary conditions, it is not a appropriate tool to study the nuclide transport in a porous medium/PRU 87, PRU 91/. Hence, in this paper some modifications are proposed to study the nuclide transport under combined influence of natural convection diffusion, dispersion and time dependent boundary condition. Here, a single phase fluid with two liquid components is considered as in equation of state model for water and brine/PRU 91A/.

A Study of diffusion and grain boundaries in ionic compounds by the molecular dynamic method

International Nuclear Information System (INIS)

Karakasidis, Theodoros

1995-01-01

In the first part, we present a model of variable cationic charges based on a rigid ion potential. In order to implement the model we performed static and dynamic simulations in calcium fluoride. The structural properties do not depend on the way the model is adjusted but the anion diffusion and the high frequency dielectric constant do. These results allowed to specify the criteria to adjust the variable charge model. As indicated by the behaviour of optical phonons this model introduced a supplementary polarisation mechanism to the rigid ion model. In the second part of this work, we studied the structural and diffusional behaviour of a high angle tilt grain boundary in NiO by molecular dynamics, using a usual rigid ion model. We examined structures with and without point defects between 0 K and 2500 K. The structure without defects presents always the lowest potential energy. In the others structures the defects can cluster and sometimes cause local changes in the boundary. Computer simulated images of high resolution electron microscopy, produced using these structures, present a similarity with the experimental ones. We calculated in the same boundary the diffusion coefficient of a doubly charged nickel vacancy between 2250 K and 2650 K. The atomic trajectories reveal the existence of preferential migration paths for the vacancy. The grain boundary diffusion is slightly anisotropic which is in agreement with an extrapolation of experimental results. A similar study in the volume reveals a migration energy higher than in the grain boundary. The calculated quantities allow for an estimation of the nickel diffusion acceleration due to the boundary. This acceleration is significant, but lower than the one measured by certain authors in polycrystalline, NiO; other authors studying bicrystals have not observed any acceleration. (author) [fr

Time-dependent free boundary equilibrium and resistive diffusion in a tokamak plasma

International Nuclear Information System (INIS)

Selig, G.

2012-12-01

In a Tokamak, in order to create the necessary conditions for nuclear fusion to occur, a plasma is maintained by applying magnetic fields. Under the hypothesis of an axial symmetry of the tokamak, the study of the magnetic configuration at equilibrium is done in two dimensions, and is deduced from the poloidal flux function. This function is solution of a non linear partial differential equation system, known as equilibrium problem. This thesis presents the time dependent free boundary equilibrium problem, where the circuit equations in the tokamak coils and passive conductors are solved together with the Grad-Shafranov equation to produce a dynamic simulation of the plasma. In this framework, the Finite Element equilibrium code CEDRES has been improved in order to solve the aforementioned dynamic problem. Consistency tests and comparisons with the DINA-CH code on an ITER vertical instability case have validated the results. Then, the resistive diffusion of the plasma current density has been simulated using a coupling between CEDRES and the averaged one-dimensional diffusion equation, and it has been successfully compared with the integrated modeling code CRONOS. (author)

Asymptotic solutions of diffusion models for risk reserves

Directory of Open Access Journals (Sweden)

S. Shao

2003-01-01

Full Text Available We study a family of diffusion models for risk reserves which account for the investment income earned and for the inflation experienced on claim amounts. After we defined the process of the conditional probability of ruin over finite time and imposed the appropriate boundary conditions, classical results from the theory of diffusion processes turn the stochastic differential equation to a special class of initial and boundary value problems defined by a linear diffusion equation. Armed with asymptotic analysis and perturbation theory, we obtain the asymptotic solutions of the diffusion models (possibly degenerate governing the conditional probability of ruin over a finite time in terms of interest rate.

Boundary condition histograms for modulated phases

International Nuclear Information System (INIS)

Benakli, M.; Gabay, M.; Saslow, W.M.

1997-11-01

Boundary conditions strongly affect the results of numerical computations for finite size inhomogeneous or incommensurate structures. We present a method which allows to deal with this problem, both for ground state and for critical properties: it combines fluctuating boundary conditions and specific histogram techniques. Our approach concerns classical as well as quantum systems. In particular, current-current correlation functions, which probe large scale coherence of the states, can be accurately evaluated. We illustrate our method on a frustrated two dimensional XY model. (author)

Casimir pistons with general boundary conditions

Directory of Open Access Journals (Sweden)

Guglielmo Fucci

2015-02-01

Full Text Available In this work we analyze the Casimir energy and force for a scalar field endowed with general self-adjoint boundary conditions propagating in a higher dimensional piston configuration. The piston is constructed as a direct product I×N, with I=[0,L]⊂R and N a smooth, compact Riemannian manifold with or without boundary. The study of the Casimir energy and force for this configuration is performed by employing the spectral zeta function regularization technique. The obtained analytic results depend explicitly on the spectral zeta function associated with the manifold N and the parameters describing the general boundary conditions imposed. These results are then specialized to the case in which the manifold N is a d-dimensional sphere.

Diffusion-induced grain boundary migration during ion beam mixing of Au/Cu bilayers

International Nuclear Information System (INIS)

Alexander, D.E.; Baldo, P.M.; Rehn, L.E.

1992-09-01

Experiments were performed to evaluate the effect of 1.5 MeV Kr irradiation on diffusion-induced grain boundary migration (DIGM) in Au/Cu bilayers in the temperature range of 300≤T≤050K. The experimental results were consistent with DIGM occurring in bilayers both during irradiation and during annealing treatments. Rutherford backscattering spectrometry showed a nearly uniform distribution of Cu present through the entire thickness of appropriately prepared polycrystalline Au films irradiated or annealed at temperatures ≥400K. No parallel effect was seen in similarly treated single-crystal films. In each polycrystalline sample studied, irradiation resulted in greater amounts of Cu present uniformly in the Au compared to annealing-only. The magnitudes of measured Cu compositions were substantially greater than that expected solely from grain boundary diffusion. A simple analysis of the process indicated that ion irradiation affects DIGM by increasing the composition of Cu present in alloyed zones and/or by increasing the grain boundary velocity in the Au

Grain Boundaries Act as Solid Walls for Charge Carrier Diffusion in Large Crystal MAPI Thin Films.

Science.gov (United States)

Ciesielski, Richard; Schäfer, Frank; Hartmann, Nicolai F; Giesbrecht, Nadja; Bein, Thomas; Docampo, Pablo; Hartschuh, Achim

2018-03-07

Micro- and nanocrystalline methylammonium lead iodide (MAPI)-based thin-film solar cells today reach power conversion efficiencies of over 20%. We investigate the impact of grain boundaries on charge carrier transport in large crystal MAPI thin films using time-resolved photoluminescence (PL) microscopy and numerical model calculations. Crystal sizes in the range of several tens of micrometers allow for the spatially and time resolved study of boundary effects. Whereas long-ranged diffusive charge carrier transport is observed within single crystals, no detectable diffusive transport occurs across grain boundaries. The observed PL transients are found to crucially depend on the microscopic geometry of the crystal and the point of observation. In particular, spatially restricted diffusion of charge carriers leads to slower PL decay near crystal edges as compared to the crystal center. In contrast to many reports in the literature, our experimental results show no quenching or additional loss channels due to grain boundaries for the studied material, which thus do not negatively affect the performance of the derived thin-film devices.

Separate measurement of local diffusion coefficients in grain boundaries and in adjacent regions

International Nuclear Information System (INIS)

Klotsman, S.M.; Kajgorodov, V.N.

1994-01-01

A new measuring technique is presented that allows one separate determination of grain boundary width and local diffusion coefficients. With the use of the technique presented phenomenological description is accompished for time and temperature dependences of relative and absolute level populations in a zone of preferential intercrystalline diffusion. Local diffusion coefficients obtained for the upper temperature limit of applicability of the technique proposed are in a good agreement with values calculated form coordinate distribution of atoic probes. Local diffusion coefficients determined at lower temperatures essentially differ from those calculated assuming that suction coefficient is equal to a coefficient of volume diffusion. Experimental dta are given for diffusion parameters in Ag, Pd and W polycrystals. 16 refs., 3 figs., 2 tabs

Investigation of surface boundary conditions for continuum modeling of RF plasmas

Science.gov (United States)

Wilson, A.; Shotorban, B.

2018-05-01

This work was motivated by a lacking general consensus in the exact form of the boundary conditions (BCs) required on the solid surfaces for the continuum modeling of Radiofrequency (RF) plasmas. Various kinds of number and energy density BCs on solid surfaces were surveyed, and how they interacted with the electric potential BC to affect the plasma was examined in two fundamental RF plasma reactor configurations. A second-order local mean energy approximation with equations governing the electron and ion number densities and the electron energy density was used to model the plasmas. Zero densities and various combinations of drift, diffusion, and thermal fluxes were considered to set up BCs. It was shown that the choice of BC can have a significant impact on the sheath and bulk plasma. The thermal and diffusion fluxes to the surface were found to be important. A pure drift BC for dielectric walls failed to produce a sheath.

Modelling classroom conditions with different boundary conditions

DEFF Research Database (Denmark)

Marbjerg, Gerd Høy; Jeong, Cheol-Ho; Brunskog, Jonas

2014-01-01

A model that combines image source modelling and acoustical radiosity with complex boundary condition, thus including phase shifts on reflection has been developed. The model is called PARISM (Phased Acoustical Radiosity and Image Source Model). It has been developed in order to be able to model...

Absorbing boundary conditions for Einstein's field equations

Energy Technology Data Exchange (ETDEWEB)

Sarbach, Olivier [Instituto de Fisica y Matematicas, Universidad Michoacana de San Nicolas de Hidalgo, Edificio C-3, Cd. Universitaria. C. P. 58040 Morelia, Michoacan (Mexico)

2007-11-15

A common approach for the numerical simulation of wave propagation on a spatially unbounded domain is to truncate the domain via an artificial boundary, thus forming a finite computational domain with an outer boundary. Absorbing boundary conditions must then be specified at the boundary such that the resulting initial-boundary value problem is well posed and such that the amount of spurious reflection is minimized. In this article, we review recent results on the construction of absorbing boundary conditions in General Relativity and their application to numerical relativity.

Grain boundary diffusion of Dy films prepared by magnetron sputtering for sintered Nd–Fe–B magnets

Science.gov (United States)

Chen, W.; Luo, J. M.; Guan, Y. W.; Huang, Y. L.; Chen, M.; Hou, Y. H.

2018-05-01

Dy films, deposited on the surface of sintered Nd–Fe–B magnets by magnetron sputtering, were employed for grain boundary diffusion source. High coercivity sintered Nd–Fe–B magnets were successfully prepared. Effects of sputtering power and grain boundary diffusion processes (GBDP) on the microstructure and magnetic properties were investigated in detail. The dense and uniform Dy films were beneficial to prepare high coercivity magnets by GBDP. The maximum coercivity value of 1189 kA m‑1 could be shown, which was an amplification of 22.3%, compared with that of as-prepared Nd–Fe–B magnet. Furthermore, the improved remanence and maximum energy product were also achieved through tuning grain boundary diffusion processes. Our results demonstrated that the formation of (Nd, Dy)2Fe14B shell surrounding Nd2Fe14B grains and fine, uniform and continuous intergranular RE-rich phases jointly contribute to the improved coercivity.

Trickle-down boundary conditions in aeolian dune-field pattern formation

Science.gov (United States)

Ewing, R. C.; Kocurek, G.

2015-12-01

One the one hand, wind-blown dune-field patterns emerge within the overarching boundary conditions of climate, tectonics and eustasy implying the presence of these signals in the aeolian geomorphic and stratigraphic record. On the other hand, dune-field patterns are a poster-child of self-organization, in which autogenic processes give rise to patterned landscapes despite remarkable differences in the geologic setting (i.e., Earth, Mars and Titan). How important are climate, tectonics and eustasy in aeolian dune field pattern formation? Here we develop the hypothesis that, in terms of pattern development, dune fields evolve largely independent of the direct influence of 'system-scale' boundary conditions, such as climate, tectonics and eustasy. Rather, these boundary conditions set the stage for smaller-scale, faster-evolving 'event-scale' boundary conditions. This 'trickle-down' effect, in which system-scale boundary conditions indirectly influence the event scale boundary conditions provides the uniqueness and richness of dune-field patterned landscapes. The trickle-down effect means that the architecture of the stratigraphic record of dune-field pattern formation archives boundary conditions, which are spatially and temporally removed from the overarching geologic setting. In contrast, the presence of an aeolian stratigraphic record itself, reflects changes in system-scale boundary conditions that drive accumulation and preservation of aeolian strata.

Integrable boundary conditions and modified Lax equations

International Nuclear Information System (INIS)

Avan, Jean; Doikou, Anastasia

2008-01-01

We consider integrable boundary conditions for both discrete and continuum classical integrable models. Local integrals of motion generated by the corresponding 'transfer' matrices give rise to time evolution equations for the initial Lax operator. We systematically identify the modified Lax pairs for both discrete and continuum boundary integrable models, depending on the classical r-matrix and the boundary matrix

Energy principle with included boundary conditions

International Nuclear Information System (INIS)

Lehnert, B.

1994-01-01

Earlier comments by the author on the limitations of the classical form of the extended energy principle are supported by a complementary analysis on the potential energy change arising from free-boundary displacements of a magnetically confined plasma. In the final formulation of the extended principle, restricted displacements, satisfying pressure continuity by means of plasma volume currents in a thin boundary layer, are replaced by unrestricted (arbitrary) displacements which can give rise to induced surface currents. It is found that these currents contribute to the change in potential energy, and that their contribution is not taken into account by such a formulation. A general expression is further given for surface currents induced by arbitrary displacements. The expression is used to reformulate the energy principle for the class of displacements which satisfy all necessary boundary conditions, including that of the pressure balance. This makes a minimization procedure of the potential energy possible, for the class of all physically relevant test functions which include the constraints imposed by the boundary conditions. Such a procedure is also consistent with a corresponding variational calculus. (Author)

Integrability and boundary conditions of supersymmetric systems

International Nuclear Information System (INIS)

Yue Ruihong; Liang Hong

1996-01-01

By studying the solutions of the reflection equations, we find out a series of integrable supersymmetric systems with different boundary conditions. The Hamiltonian contains four free parameters which describe the contribution of the boundary terms

Homogenization of the evolution Stokes equation in a perforated domain with a stochastic Fourier boundary condition

KAUST Repository

Bessaih, Hakima

2015-04-01

The evolution Stokes equation in a domain containing periodically distributed obstacles subject to Fourier boundary condition on the boundaries is considered. We assume that the dynamic is driven by a stochastic perturbation on the interior of the domain and another stochastic perturbation on the boundaries of the obstacles. We represent the solid obstacles by holes in the fluid domain. The macroscopic (homogenized) equation is derived as another stochastic partial differential equation, defined in the whole non perforated domain. Here, the initial stochastic perturbation on the boundary becomes part of the homogenized equation as another stochastic force. We use the twoscale convergence method after extending the solution with 0 in the holes to pass to the limit. By Itô stochastic calculus, we get uniform estimates on the solution in appropriate spaces. In order to pass to the limit on the boundary integrals, we rewrite them in terms of integrals in the whole domain. In particular, for the stochastic integral on the boundary, we combine the previous idea of rewriting it on the whole domain with the assumption that the Brownian motion is of trace class. Due to the particular boundary condition dealt with, we get that the solution of the stochastic homogenized equation is not divergence free. However, it is coupled with the cell problem that has a divergence free solution. This paper represents an extension of the results of Duan and Wang (Comm. Math. Phys. 275:1508-1527, 2007), where a reaction diffusion equation with a dynamical boundary condition with a noise source term on both the interior of the domain and on the boundary was studied, and through a tightness argument and a pointwise two scale convergence method the homogenized equation was derived. © American Institute of Mathematical Sciences.

Use and abuse of diffusion

International Nuclear Information System (INIS)

Kwiotek, A.; Grzywna, Z.J.

2005-01-01

Diffusion in a bounded region (or diffusive mass transport) can be seen from at least three platforms: - chemistry of he Fick's equation; - chemical engineering. To pose a particular problem we have to provide some additional conditions (initial conditions, boundary conditions and further). As we understood it in all cases diffusion is considered in an open region (in other words in one phase). Chemical engineering however brings an idea of 'diffusion' between phases. We claim that there isn't diffusion between phases. One can only consider mass transport between phases. Mass transport (or transfer in chemical engineering jargon) from one phase to another composes of: diffusion in first phase partition at an interface diffusion in second phase. (author)

Boundary conditions in rational conformal field theories

International Nuclear Information System (INIS)

Behrend, Roger E.; Pearce, Paul A.; Petkova, Valentina B.; Zuber, Jean-Bernard

2000-01-01

We develop further the theory of Rational Conformal Field Theories (RCFTs) on a cylinder with specified boundary conditions emphasizing the role of a triplet of algebras: the Verlinde, graph fusion and Pasquier algebras. We show that solving Cardy's equation, expressing consistency of a RCFT on a cylinder, is equivalent to finding integer valued matrix representations of the Verlinde algebra. These matrices allow us to naturally associate a graph G to each RCFT such that the conformal boundary conditions are labelled by the nodes of G. This approach is carried to completion for sl(2) theories leading to complete sets of conformal boundary conditions, their associated cylinder partition functions and the A-D-E classification. We also review the current status for WZW sl(3) theories. Finally, a systematic generalisation of the formalism of Cardy-Lewellen is developed to allow for multiplicities arising from more general representations of the Verlinde algebra. We obtain information on the bulk-boundary coefficients and reproduce the relevant algebraic structures from the sewing constraints

Einstein boundary conditions for the 3+1 Einstein equations

International Nuclear Information System (INIS)

Frittelli, Simonetta; Gomez, Roberto

2003-01-01

In the 3+1 framework of the Einstein equations for the case of a vanishing shift vector and arbitrary lapse, we calculate explicitly the four boundary equations arising from the vanishing of the projection of the Einstein tensor along the normal to the boundary surface of the initial-boundary value problem. Such conditions take the form of evolution equations along (as opposed to across) the boundary for certain components of the extrinsic curvature and for certain space derivatives of the three-metric. We argue that, in general, such boundary conditions do not follow necessarily from the evolution equations and the initial data, but need to be imposed on the boundary values of the fundamental variables. Using the Einstein-Christoffel formulation, which is strongly hyperbolic, we show how three of the boundary equations up to linear combinations should be used to prescribe the values of some incoming characteristic fields. Additionally, we show that the fourth one imposes conditions on some outgoing fields

On the Boussinesq-Burgers equations driven by dynamic boundary conditions

Science.gov (United States)

Zhu, Neng; Liu, Zhengrong; Zhao, Kun

2018-02-01

We study the qualitative behavior of the Boussinesq-Burgers equations on a finite interval subject to the Dirichlet type dynamic boundary conditions. Assuming H1 ×H2 initial data which are compatible with boundary conditions and utilizing energy methods, we show that under appropriate conditions on the dynamic boundary data, there exist unique global-in-time solutions to the initial-boundary value problem, and the solutions converge to the boundary data as time goes to infinity, regardless of the magnitude of the initial data.

Drug diffusion across skin with diffusivity spatially modulated

Science.gov (United States)

Montoya Arroyave, Isabel

2014-05-01

A diffusion and delivery model of a drug across the skin with diffusivity spatially modulated is formulated and solved analytically using computer algebra. The model is developed using one-dimensional diffusion equation with a diffusivity which is a function of position in the skin; with an initial condition which is describing that the drug is initially contained inside a therapeutic patch; with a boundary condition according to which the change in concentration in the patch is minimal, such that assumption of zero flux at the patch-skin interface is valid; and with other boundary condition according to which the microcirculation in the capillaries just below the dermis carries the drug molecules away from the site at a very fast rate, maintaining the inner concentration at 0. The model is solved analytically by the method of the Laplace transform, with Bromwich integral and residue theorem. The concentration profile of the drug in the skin is expressed as an infinite series of Bessel functions. The corresponding total amount of delivered drug is expressed as an infinite series of decreasing exponentials. Also, the corresponding effective time for the therapeutic patch is determined. All computations were performed using computer algebra software, specifically Maple. The analytical results obtained are important for understanding and improving currentapplications of therapeutic patches. For future research it is interesting to consider more general models of spatial modulation of the diffusivity and the possible application of other computer algebra software such as Mathematica and Maxima.

Quadratic Functionals with General Boundary Conditions

International Nuclear Information System (INIS)

Dosla, Z.; Dosly, O.

1997-01-01

The purpose of this paper is to give the Reid 'Roundabout Theorem' for quadratic functionals with general boundary conditions. In particular, we describe the so-called coupled point and regularity condition introduced in terms of Riccati equation solutions

Estimating anisotropic diffusion of neutrons near the boundary of a pebble bed random system

Energy Technology Data Exchange (ETDEWEB)

Vasques, R. [Department of Mathematics, Center for Computational Engineering Science, RWTH Aachen University, Schinkel Strasse 2, D-52062 Aachen (Germany)

2013-07-01

Due to the arrangement of the pebbles in a Pebble Bed Reactor (PBR) core, if a neutron is located close to a boundary wall, its path length probability distribution function in directions of flight parallel to the wall is significantly different than in other directions. Hence, anisotropic diffusion of neutrons near the boundaries arises. We describe an analysis of neutron transport in a simplified 3-D pebble bed random system, in which we investigate the anisotropic diffusion of neutrons born near one of the system's boundary walls. While this simplified system does not model the actual physical process that takes place near the boundaries of a PBR core, the present work paves the road to a formulation that may enable more accurate diffusion simulations of such problems to be performed in the future. Monte Carlo codes have been developed for (i) deriving realizations of the 3-D random system, and (ii) performing 3-D neutron transport inside the heterogeneous model; numerical results are presented for three different choices of parameters. These numerical results are used to assess the accuracy of estimates for the mean-squared displacement of neutrons obtained with the diffusion approximations of the Atomic Mix Model and of the recently introduced [1] Non-Classical Theory with angular-dependent path length distribution. The Non-Classical Theory makes use of a Generalized Linear Boltzmann Equation in which the locations of the scattering centers in the system are correlated and the distance to collision is not exponentially distributed. We show that the results predicted using the Non-Classical Theory successfully model the anisotropic behavior of the neutrons in the random system, and more closely agree with experiment than the results predicted by the Atomic Mix Model. (authors)

Estimating anisotropic diffusion of neutrons near the boundary of a pebble bed random system

International Nuclear Information System (INIS)

Vasques, R.

2013-01-01

Due to the arrangement of the pebbles in a Pebble Bed Reactor (PBR) core, if a neutron is located close to a boundary wall, its path length probability distribution function in directions of flight parallel to the wall is significantly different than in other directions. Hence, anisotropic diffusion of neutrons near the boundaries arises. We describe an analysis of neutron transport in a simplified 3-D pebble bed random system, in which we investigate the anisotropic diffusion of neutrons born near one of the system's boundary walls. While this simplified system does not model the actual physical process that takes place near the boundaries of a PBR core, the present work paves the road to a formulation that may enable more accurate diffusion simulations of such problems to be performed in the future. Monte Carlo codes have been developed for (i) deriving realizations of the 3-D random system, and (ii) performing 3-D neutron transport inside the heterogeneous model; numerical results are presented for three different choices of parameters. These numerical results are used to assess the accuracy of estimates for the mean-squared displacement of neutrons obtained with the diffusion approximations of the Atomic Mix Model and of the recently introduced [1] Non-Classical Theory with angular-dependent path length distribution. The Non-Classical Theory makes use of a Generalized Linear Boltzmann Equation in which the locations of the scattering centers in the system are correlated and the distance to collision is not exponentially distributed. We show that the results predicted using the Non-Classical Theory successfully model the anisotropic behavior of the neutrons in the random system, and more closely agree with experiment than the results predicted by the Atomic Mix Model. (authors)

On filter boundary conditions in topology optimization

DEFF Research Database (Denmark)

Clausen, Anders; Andreassen, Erik

2017-01-01

Most research papers on topology optimization involve filters for regularization. Typically, boundary effects from the filters are ignored. Despite significant drawbacks the inappropriate homogeneous Neumann boundary conditions are used, probably because they are trivial to implement. In this paper...

Boundary conditions for the gravitational field

International Nuclear Information System (INIS)

Winicour, Jeffrey

2012-01-01

A review of the treatment of boundaries in general relativity is presented with the emphasis on application to the formulations of Einstein's equations used in numerical relativity. At present, it is known how to treat boundaries in the harmonic formulation of Einstein's equations and a tetrad formulation of the Einstein-Bianchi system. However, a universal approach valid for other formulations is not in hand. In particular, there is no satisfactory boundary theory for the 3+1 formulations which have been highly successful in binary black hole simulation. I discuss the underlying problems that make the initial-boundary-value problem much more complicated than the Cauchy problem. I review the progress that has been made and the important open questions that remain. Science is a differential equation. Religion is a boundary condition. (Alan Turing, quoted in J D Barrow, 'Theories of Everything') (topical review)

Bayesian Inference for Linear Parabolic PDEs with Noisy Boundary Conditions

KAUST Repository

Ruggeri, Fabrizio; Sawlan, Zaid A; Scavino, Marco; Tempone, Raul

2015-01-01

have been assumed for the time-dependent Dirichlet boundary values. Our approach is applied to synthetic data for the one-dimensional heat equation model, where the thermal diffusivity is the unknown parameter. We show how to infer the thermal

The Diffusive Boundary-Layer of Sediments - Oxygen Microgradients Over a Microbial Mat

DEFF Research Database (Denmark)

JØRGENSEN, BB; MARAIS, DJD

1990-01-01

Oxygen microelectrodes were used to analyze the distribution of the diffusive boundary layer (DBL) at the sedimen-water interface in relation to surface topography and flow velocity. The sediment, collected from saline ponds, was covered by a microbial mat that had high oxygen consumption rate...

Inverse diffusion theory of photoacoustics

International Nuclear Information System (INIS)

Bal, Guillaume; Uhlmann, Gunther

2010-01-01

This paper analyzes the reconstruction of diffusion and absorption parameters in an elliptic equation from knowledge of internal data. In the application of photoacoustics, the internal data are the amount of thermal energy deposited by high frequency radiation propagating inside a domain of interest. These data are obtained by solving an inverse wave equation, which is well studied in the literature. We show that knowledge of two internal data based on well-chosen boundary conditions uniquely determines two constitutive parameters in diffusion and Schrödinger equations. Stability of the reconstruction is guaranteed under additional geometric constraints of strict convexity. No geometric constraints are necessary when 2n internal data for well-chosen boundary conditions are available, where n is spatial dimension. The set of well-chosen boundary conditions is characterized in terms of appropriate complex geometrical optics solutions

Oxygen Permeability and Grain-Boundary Diffusion Applied to Alumina Scales

Science.gov (United States)

Smialek, James L.; Jacobson, Nathan S.; Gleeson, Brian; Hovis, David B.; Heuer, Arthur H.

2013-01-01

High-temperature oxygen permeability measurements had determined grain-boundary diffusivities (deltaD(sub gb)) in bulk polycrystalline alumina (Wada, Matsudaira, and Kitaoka). They predict that oxygen deltaD(sub gb,O) varies with oxygen pressure as P(O2)(sup -1/6) at low pressure whereas aluminum deltaD(sub gb),Al varies with P(O2)(sup +3/16) at high pressure. These relations were used to evaluate alumina scale growth in terms of diffusivity and grain size. A modified Wagner treatment for dominant inward oxygen growth produces the concise solution: ?(sub i) = k(sub p,i)×G(sub i) = 12 deltaD(sub gb,O,int), where ?(sub i) is a constant and k(sub p,i) and G(sub i) refer to instantaneous values of the scale parabolic growth constant and grain size, respectively. A commercial FeCrAl(Zr) alloy was oxidized at 1100 to 1400 degC to determine k(sub p,i), interfacial grain size, ?, and thus deltaD(sub gb,O,int). The deltaD(sub gb,O,int) values predicted from oxidation at (375 kJ/mole) were about 20 times less than those obtained above (at 298 kJ/mole), but closer than extrapolations from high-temperature bulk measurements. The experimental oxidation results agree with similar FeCrAl(X) studies, especially where both k(sub p,i) and G(sub i) were characterized. This complete approach accounts for temperature-sensitive oxidation effects of grain enlargement, equilibrium interface pressure variation, and grain-boundary diffusivity.

Diffusion of He interstitial and di-He cluster at grain boundaries in α-Fe

International Nuclear Information System (INIS)

Gao, F.; Heinisch, H.L.; Kurtz, R.J.

2007-01-01

A systematic molecular dynamics study of the diffusion mechanisms of He interstitial and di-He cluster at two representative interfaces has been carried out in α-Fe. The diffusion coefficient of a He interstitial and the effective migration energies were determined. The He atom diffuses along the Σ11 grain boundary one-dimensionally along specific directions, while it migrates two-dimensionally at low temperatures, and three-dimensionally at higher temperatures, in the Σ3 grain boundary. The di-He interstitial cluster can migrate rapidly along the Σ3 interface at low temperatures, but not at the Σ11 interface. It has been observed that a di-He interstitial cluster can kick out a self interstitial atom (SIA) at high temperatures, forming a He 2 V complex. The SIA migrates rapidly near interfaces, whereas the He 2 V complex is immobile at the temperatures considered. This small cluster may serve as the smallest nucleation for the formation of helium bubbles at interfaces

A variational approach to bifurcation points of a reaction-diffusion system with obstacles and neumann boundary conditions

Czech Academy of Sciences Publication Activity Database

Eisner, Jan; Kučera, Milan; Väth, Martin

2016-01-01

Roč. 61, č. 1 (2016), s. 1-25 ISSN 0862-7940 R&D Projects: GA ČR GA13-12580S Institutional support: RVO:67985904 ; RVO:67985840 Keywords : reaction-diffusion system * unlateral condition * variational inequality Subject RIV: EG - Zoology; BA - General Mathematics (MU-W) Impact factor: 0.618, year: 2016

Unsteady Casson nanofluid flow over a stretching sheet with thermal radiation, convective and slip boundary conditions

Directory of Open Access Journals (Sweden)

Ibukun Sarah Oyelakin

2016-06-01

Full Text Available In this paper we report on combined Dufour and Soret effects on the heat and mass transfer in a Casson nanofluid flow over an unsteady stretching sheet with thermal radiation and heat generation. The effects of partial slip on the velocity at the boundary, convective thermal boundary condition, Brownian and thermophoresis diffusion coefficients on the concentration boundary condition are investigated. The model equations are solved using the spectral relaxation method. The results indicate that the fluid flow, temperature and concentration profiles are significantly influenced by the fluid unsteadiness, the Casson parameter, magnetic parameter and the velocity slip. The effect of increasing the Casson parameter is to suppress the velocity and temperature growth. An increase in the Dufour parameter reduces the flow temperature, while an increase in the value of the Soret parameter causes increase in the concentration of the fluid. Again, increasing the velocity slip parameter reduces the velocity profile whereas increasing the heat generation parameter increases the temperature profile. A validation of the work is presented by comparing the current results with existing literature.

Asymptotic boundary conditions for dissipative waves: General theory

Science.gov (United States)

Hagstrom, Thomas

1990-01-01

An outstanding issue in the computational analysis of time dependent problems is the imposition of appropriate radiation boundary conditions at artificial boundaries. Accurate conditions are developed which are based on the asymptotic analysis of wave propagation over long ranges. Employing the method of steepest descents, dominant wave groups are identified and simple approximations to the dispersion relation are considered in order to derive local boundary operators. The existence of a small number of dominant wave groups may be expected for systems with dissipation. Estimates of the error as a function of domain size are derived under general hypotheses, leading to convergence results. Some practical aspects of the numerical construction of the asymptotic boundary operators are also discussed.

Asymptotic boundary conditions for dissipative waves - General theory

Science.gov (United States)

Hagstrom, Thomas

1991-01-01

An outstanding issue in computational analysis of time dependent problems is the imposition of appropriate radiation boundary conditions at artificial boundaries. Accurate conditions are developed which are based on the asymptotic analysis of wave propagation over long ranges. Employing the method of steepest descents, dominant wave groups are identified and simple approximations to the dispersion relation are considered in order to derive local boundary operators. The existence of a small number of dominant wave groups may be expected for systems with dissipation. Estimates of the error as a function of domain size are derived under general hypotheses, leading to convergence results. Some practical aspects of the numerical construction of the asymptotic boundary operators are also discussed.

The role of lateral boundary conditions in simulations of mineral aerosols by a regional climate model of Southwest Asia

Energy Technology Data Exchange (ETDEWEB)

Marcella, Marc Pace [Ralph M. Parsons Laboratory, Department of Civil and Environmental Engineering, Cambridge, MA (United States); Massachusetts Institute of Technology, Cambridge, Massachusetts (United States); Eltahir, Elfatih A.B. [Massachusetts Institute of Technology, Cambridge, Massachusetts (United States)

2012-01-15

diffusion from the boundaries. Lastly, experiments performed using a climatology of dust concentrations yield similar results to those using actual monthly values. Therefore, using a climatology of dust mixing ratios is sufficient in implementing lateral boundary conditions for mineral aerosols. In short, this work concludes that realistic specification of lateral boundary conditions for mineral aerosols can be important in modeling the dust loading over arid regional climates such as Southwest Asia. (orig.)

Thermodynamic model for grain boundary effects on hydrogen solubility, diffusivity and permeability in poly-crystalline tungsten

Energy Technology Data Exchange (ETDEWEB)

Oda, Takuji, E-mail: oda@snu.ac.kr

2016-11-15

Highlights: • A thermodynamic model to simulate grain boundary effects on hydrogen behaviors in poly-crystalline W was established. • With this model, the effective solubility, diffusivity and permeability of hydrogen are calculated as a function of grain size. • Grain boundary significantly change the hydrogen behaviors in poly-crystalline W up to around 1000 K. - Abstract: A thermodynamic model to evaluate effects of grain boundary (GB) on hydrogen behaviors in poly-crystalline tungsten is established. With this model, the effective solubility, diffusivity and permeability of hydrogen in tungsten equilibrated with surrounding H{sub 2} gas can be calculated as a function of grain size, temperature and H{sub 2} partial pressure. By setting 1.0 eV to the binding energy of hydrogen to GBs and 0.4 eV to the diffusion barrier of hydrogen along GBs, the model reasonably reproduces some experimental data on the effective diffusivity and permeability. Comparisons between calculation results by the model and available experimental data show that GBs significantly affect the hydrogen behaviors up to around 1000 K or higher in practical materials. Therefore, the effects of GBs need to be considered in analysis of experimental results, for which the present model can be utilized, and in prediction of tritium inventory and leakage in fusion reactors.

Boundary conditions and subelliptic estimates for geometric Kramers-Fokker-Planck operators on manifolds with boundaries

CERN Document Server

Nier, Francis

2018-01-01

This article is concerned with the maximal accretive realizations of geometric Kramers-Fokker-Planck operators on manifolds with boundaries. A general class of boundary conditions is introduced which ensures the maximal accretivity and some global subelliptic estimates. Those estimates imply nice spectral properties as well as exponential decay properties for the associated semigroup. Admissible boundary conditions cover a wide range of applications for the usual scalar Kramer-Fokker-Planck equation or Bismut's hypoelliptic laplacian.

Adaptive boundary conditions for exterior flow problems

CERN Document Server

Boenisch, V; Wittwer, S

2003-01-01

We consider the problem of solving numerically the stationary incompressible Navier-Stokes equations in an exterior domain in two dimensions. This corresponds to studying the stationary fluid flow past a body. The necessity to truncate for numerical purposes the infinite exterior domain to a finite domain leads to the problem of finding appropriate boundary conditions on the surface of the truncated domain. We solve this problem by providing a vector field describing the leading asymptotic behavior of the solution. This vector field is given in the form of an explicit expression depending on a real parameter. We show that this parameter can be determined from the total drag exerted on the body. Using this fact we set up a self-consistent numerical scheme that determines the parameter, and hence the boundary conditions and the drag, as part of the solution process. We compare the values of the drag obtained with our adaptive scheme with the results from using traditional constant boundary conditions. Computati...

Lyapunov Based Estimation of Flight Stability Boundary under Icing Conditions

Directory of Open Access Journals (Sweden)

Binbin Pei

2017-01-01

Full Text Available Current fight boundary of the envelope protection in icing conditions is usually defined by the critical values of state parameters; however, such method does not take the interrelationship of each parameter and the effect of the external disturbance into consideration. This paper proposes constructing the stability boundary of the aircraft in icing conditions through analyzing the region of attraction (ROA around the equilibrium point. Nonlinear icing effect model is proposed according to existing wind tunnel test results. On this basis, the iced polynomial short period model can be deduced further to obtain the stability boundary under icing conditions using ROA analysis. Simulation results for a series of icing severity demonstrate that, regardless of the icing severity, the boundary of the calculated ROA can be treated as an estimation of the stability boundary around an equilibrium point. The proposed methodology is believed to be a promising way for ROA analysis and stability boundary construction of the aircraft in icing conditions, and it will provide theoretical support for multiple boundary protection of icing tolerant flight.

Minimization of heat slab nodes with higher order boundary conditions

International Nuclear Information System (INIS)

Solbrig, C.W.

1992-01-01

The accuracy of a numerical solution can be limited by the numerical approximation to the boundary conditions rather than the accuracy of the equations which describe the interior. The study presented in this paper compares the results from two different numerical formulations of the convective boundary condition on the face of a heat transfer slab. The standard representation of the boundary condition in a test problem yielded an unacceptable error even when the heat transfer slab was partitioned into over 300 nodes. A higher order boundary condition representation was obtained by using a second order approximation for the first derivative at the boundary and combining it with the general equation used for inner nodes. This latter formulation produced reasonable results when as few as ten nodes were used

Transport synthetic acceleration with opposing reflecting boundary conditions

Energy Technology Data Exchange (ETDEWEB)

Zika, M R; Adams, M L

2000-02-01

The transport synthetic acceleration (TSA) scheme is extended to problems with opposing reflecting boundary conditions. This synthetic method employs a simplified transport operator as its low-order approximation. A procedure is developed that allows the use of the conjugate gradient (CG) method to solve the resulting low-order system of equations. Several well-known transport iteration algorithms are cast in a linear algebraic form to show their equivalence to standard iterative techniques. Source iteration in the presence of opposing reflecting boundary conditions is shown to be equivalent to a (poorly) preconditioned stationary Richardson iteration, with the preconditioner defined by the method of iterating on the incident fluxes on the reflecting boundaries. The TSA method (and any synthetic method) amounts to a further preconditioning of the Richardson iteration. The presence of opposing reflecting boundary conditions requires special consideration when developing a procedure to realize the CG method for the proposed system of equations. The CG iteration may be applied only to symmetric positive definite matrices; this condition requires the algebraic elimination of the boundary angular corrections from the low-order equations. As a consequence of this elimination, evaluating the action of the resulting matrix on an arbitrary vector involves two transport sweeps and a transmission iteration. Results of applying the acceleration scheme to a simple test problem are presented.

Revisit boundary conditions for the self-adjoint angular flux formulation

Energy Technology Data Exchange (ETDEWEB)

Wang, Yaqi [Idaho National Lab. (INL), Idaho Falls, ID (United States); Gleicher, Frederick N. [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2015-03-01

We revisit the boundary conditions for SAAF. We derived the equivalent parity variational form ready for coding up. The more rigorous approach of evaluating odd parity should be solving the odd parity equation coupled with the even parity. We proposed a symmetric reflecting boundary condition although neither positive definiteness nor even-odd decoupling is achieved. A simple numerical test verifies the validity of these boundary conditions.

Coercivity enhancement and thermal-stability improvement in the melt-spun NdFeB ribbons by grain boundary diffusion

Science.gov (United States)

Xie, Jiajun; Yuan, Chao; Luo, Yang; Yang, Yuanfei; Hu, Bin; Yu, Dunbo; Yan, Wenlong

2018-01-01

Rapidly quenched NdFeB ribbons with high coercivity were obtained by Nd70Cu30 diffusion process. Samples with a high coercivity of 22.02 kOe at room temperature were obtained after grain boundary diffusion with 20 wt% Nd70Cu30 alloys. The NdCu diffusion process promoted grain growth in the ribbons, and grain boundary phases were formed with Cu segregation among NdFeB grains. Coercivity above 10 kOe at 150 °C was achieved in the bonded magnets with NdCu content over 10 wt%. The flux loss of bonded magnets was reduced by ∼32% at 120 °C after diffusion treatment with only a small amount (2 wt%) of NdCu.

Evaluation of general non-reflecting boundary conditions for industrial CFD applications

Science.gov (United States)

Basara, Branislav; Frolov, Sergei; Lidskii, Boris; Posvyanskii, Vladimir

2007-11-01

The importance of having proper boundary conditions for the calculation domain is a known issue in Computational Fluid Dynamics (CFD). In many situations, it is very difficult to define a correct boundary condition. The flow may enter and leave the computational domain at the same time and at the same boundary. In such circumstances, it is important that numerical implementation of boundary conditions enforces certain physical constraints leading to correct results which then ensures a better convergence rate. The aim of this paper is to evaluate recently proposed non-reflecting boundary conditions (Frolov et al., 2001, Advances in Chemical Propulsion) on industrial CFD applications. Derivation of the local non-reflecting boundary conditions at the open boundary is based on finding the solution of linearized Euler equations vanishing at infinity for both incompressible and compressible formulations. This is implemented into the in-house CFD package AVL FIRE and some numerical details will be presented as well. The key applications in this paper are from automotive industry, e.g. an external car aerodynamics, an intake port, etc. The results will show benefits of using effective non-reflecting boundary conditions.

Diffusion-accomodated rigid-body translations along grain boundaries in nanostructured materials

International Nuclear Information System (INIS)

Bachurin, D.V.; Nazarov, A.A.; Shenderova, O.A.; Brenner, D.W.

2003-01-01

A model for the structural relaxation of grain boundaries (GBs) in nanostructured materials (NSMs) by diffusion-accommodated rigid body translations along GBs is proposed. The model is based on the results of recent computer simulations that have demonstrated that the GBs in NSMs retain a high-energy structure with random translational states due to severe geometrical constraints applied from neighboring grains (J. Appl. Phys. 78 (1995) 847; Scripta Metall. Mater. 33 (1995) 1245). The shear stresses within a GB caused by non-optimized rigid-body translations (RBTs) can be accommodated by diffusive flow of atoms along a GB. This mechanism is particularly important for low-angle and vicinal GBs, the energy of which noticeably depends on the rigid body translations. At moderate and high temperatures the model yields relaxation times that are very short and therefore GBs in NSMs can attain an equilibrium structure with optimized rigid body translations. In contrast, at room temperature the model predicts that in some metals non-equilibrium structures can be preserved for a long time, which may result in the observation of grain boundary structures different from those in coarse grained polycrystals

Thermal Simulations, Open Boundary Conditions and Switches

Science.gov (United States)

Burnier, Yannis; Florio, Adrien; Kaczmarek, Olaf; Mazur, Lukas

2018-03-01

SU(N) gauge theories on compact spaces have a non-trivial vacuum structure characterized by a countable set of topological sectors and their topological charge. In lattice simulations, every topological sector needs to be explored a number of times which reflects its weight in the path integral. Current lattice simulations are impeded by the so-called freezing of the topological charge problem. As the continuum is approached, energy barriers between topological sectors become well defined and the simulations get trapped in a given sector. A possible way out was introduced by Lüscher and Schaefer using open boundary condition in the time extent. However, this solution cannot be used for thermal simulations, where the time direction is required to be periodic. In this proceedings, we present results obtained using open boundary conditions in space, at non-zero temperature. With these conditions, the topological charge is not quantized and the topological barriers are lifted. A downside of this method are the strong finite-size effects introduced by the boundary conditions. We also present some exploratory results which show how these conditions could be used on an algorithmic level to reshuffle the system and generate periodic configurations with non-zero topological charge.

Thermal Simulations, Open Boundary Conditions and Switches

Directory of Open Access Journals (Sweden)

Burnier Yannis

2018-01-01

Full Text Available SU(N gauge theories on compact spaces have a non-trivial vacuum structure characterized by a countable set of topological sectors and their topological charge. In lattice simulations, every topological sector needs to be explored a number of times which reflects its weight in the path integral. Current lattice simulations are impeded by the so-called freezing of the topological charge problem. As the continuum is approached, energy barriers between topological sectors become well defined and the simulations get trapped in a given sector. A possible way out was introduced by Lüscher and Schaefer using open boundary condition in the time extent. However, this solution cannot be used for thermal simulations, where the time direction is required to be periodic. In this proceedings, we present results obtained using open boundary conditions in space, at non-zero temperature. With these conditions, the topological charge is not quantized and the topological barriers are lifted. A downside of this method are the strong finite-size effects introduced by the boundary conditions. We also present some exploratory results which show how these conditions could be used on an algorithmic level to reshuffle the system and generate periodic configurations with non-zero topological charge.

Application of Laplace transform for determination of albedo type boundary conditions for neutronic calculations; Aplicacao da transformada de Laplace para determinacao de condicoes de contorno tipo albedo para calculos neutronicos

Energy Technology Data Exchange (ETDEWEB)

Petersen, Claudio Zen

2008-07-01

In this dissertation we use the Laplace transform to derive expressions for nonstandard albedo boundary conditions for one and two non-multiplying regions at the ends of one dimensional domains. In practice, the fuel regions of reactor cores are surrounded by reflector regions that reduce neutron leakage. In order to exclude the reflector regions from the calculations, we introduce a reflection coefficient or albedo. We use the present albedo boundary conditions to solve numerically slab-geometry monoenergetic and multigroup diffusion equations using the conventional finite difference method. Numerical results are generated for fixed source and eigenvalue diffusion problems in slab geometry(author)

The Diffusive Boundary-Layer of Sediments - Oxygen Microgradients Over a Microbial Mat

DEFF Research Database (Denmark)

JØRGENSEN, BB; MARAIS, DJD

1990-01-01

Oxygen microelectrodes were used to analyze the distribution of the diffusive boundary layer (DBL) at the sedimen-water interface in relation to surface topography and flow velocity. The sediment, collected from saline ponds, was covered by a microbial mat that had high oxygen consumption rate...... and well-defined surface structure. Diffusion through the DBL constituted an important rate limitation to the oxygen uptake of the sediment. The mean effective DBL thickness decreased from 0.59 to 0.16 mm as the flow velocity of the overlying water was increased from 0.3 to 7.7 cm s-1 (measured 1 cm above...

Open boundary condition, Wilson flow and the scalar glueball mass

International Nuclear Information System (INIS)

Chowdhury, Abhishek; Harindranath, A.; Maiti, Jyotirmoy

2014-01-01

A major problem with periodic boundary condition on the gauge fields used in current lattice gauge theory simulations is the trapping of topological charge in a particular sector as the continuum limit is approached. To overcome this problem open boundary condition in the temporal direction has been proposed recently. One may ask whether open boundary condition can reproduce the observables calculated with periodic boundary condition. In this work we find that the extracted lowest glueball mass using open and periodic boundary conditions at the same lattice volume and lattice spacing agree for the range of lattice scales explored in the range 3 GeV≤(1/a)≤5 GeV. The problem of trapping is overcome to a large extent with open boundary and we are able to extract the glueball mass at even larger lattice scale ≈ 5.7 GeV. To smoothen the gauge fields we have used recently proposed Wilson flow which, compared to HYP smearing, exhibits better systematics in the extraction of glueball mass. The extracted glueball mass shows remarkable insensitivity to the lattice spacings in the range explored in this work, 3 GeV≤(1/a)≤5.7 GeV.

Grain boundary diffusion and segregation of Ni in Cu

International Nuclear Information System (INIS)

Divinski, Sergiy; Ribbe, Jens; Schmitz, Guido; Herzig, Christian

2007-01-01

Grain boundary (GB) diffusion of 63 Ni in polycrystalline Cu was investigated by the radiotracer technique in an extended temperature interval from 476 to 1156K. The independent measurements in Harrison's C and B kinetic regimes resulted in direct data of the GB diffusivity D gb and of the so-called triple product P=s.δ.D gb (s and δ are the segregation factor and the diffusional GB width, respectively). Arrhenius-type temperature dependencies for both the D gb and P values were measured, resulting in the pre-exponential factors D gb 0 =6.93x10 -7 m 2 s -1 and P 0 =1.89x10 -16 m 3 s -1 and the activation enthalpies of 90.4 and 73.8kJmol -1 , respectively. Although Ni is completely soluble in Cu, it reveals a distinct but still moderate ability to segregate copper GBs with a segregation enthalpy of about -17kJmol -1

Entropy Stability and the No-Slip Wall Boundary Condition

KAUST Repository

Svä rd, Magnus; Carpenter, Mark H.; Parsani, Matteo

2018-01-01

We present an entropy stable numerical scheme subject to no-slip wall boundary conditions. To enforce entropy stability only the no-penetration boundary condition and a temperature condition are needed at a wall, and this leads to an L bound on the conservative variables. In this article, we take the next step and design a finite difference scheme that also bounds the velocity gradients. This necessitates the use of the full no-slip conditions.

Entropy Stability and the No-Slip Wall Boundary Condition

KAUST Repository

Svärd, Magnus

2018-01-18

We present an entropy stable numerical scheme subject to no-slip wall boundary conditions. To enforce entropy stability only the no-penetration boundary condition and a temperature condition are needed at a wall, and this leads to an L bound on the conservative variables. In this article, we take the next step and design a finite difference scheme that also bounds the velocity gradients. This necessitates the use of the full no-slip conditions.

Finite element time domain modeling of controlled-Source electromagnetic data with a hybrid boundary condition

DEFF Research Database (Denmark)

Cai, Hongzhu; Hu, Xiangyun; Xiong, Bin

2017-01-01

method which is unconditionally stable. We solve the diffusion equation for the electric field with a total field formulation. The finite element system of equation is solved using the direct method. The solutions of electric field, at different time, can be obtained using the effective time stepping...... method with trivial computation cost once the matrix is factorized. We try to keep the same time step size for a fixed number of steps using an adaptive time step doubling (ATSD) method. The finite element modeling domain is also truncated using a semi-adaptive method. We proposed a new boundary...... condition based on approximating the total field on the modeling boundary using the primary field corresponding to a layered background model. We validate our algorithm using several synthetic model studies....

Exploring exotic states with twisted boundary conditions

International Nuclear Information System (INIS)

Agadjanov, Dimitri

2017-01-01

he goal of this thesis is to develop methods to study the nature and properties of exotic hadrons from lattice simulations. The main focus lies in the application of twisted boundary conditions. The thesis consists of a general introduction and the collection of three papers, represented respectively in three chapters. The introduction of the thesis reviews the theoretical background, which is further used in the rest of the thesis. Further implementing partially twisted boundary conditions in the scalar sector of lattice QCD is studied. Then we develop a method to study the content of the exotic hadrons by determining the wave function renormalization constant from lattice simulations, exploiting the dependence of the spectrum on the twisted boundary conditions. The final chapter deals with a novel method to study the multi-channel scattering problem in a finite volume, which is relevant for exotic states. Its key idea is to extract the complex hadron-hadron optical potential, avoiding the difficulties, associated with the solution of the multi-channel Luescher equation.

Exploring exotic states with twisted boundary conditions

Energy Technology Data Exchange (ETDEWEB)

Agadjanov, Dimitri

2017-09-11

he goal of this thesis is to develop methods to study the nature and properties of exotic hadrons from lattice simulations. The main focus lies in the application of twisted boundary conditions. The thesis consists of a general introduction and the collection of three papers, represented respectively in three chapters. The introduction of the thesis reviews the theoretical background, which is further used in the rest of the thesis. Further implementing partially twisted boundary conditions in the scalar sector of lattice QCD is studied. Then we develop a method to study the content of the exotic hadrons by determining the wave function renormalization constant from lattice simulations, exploiting the dependence of the spectrum on the twisted boundary conditions. The final chapter deals with a novel method to study the multi-channel scattering problem in a finite volume, which is relevant for exotic states. Its key idea is to extract the complex hadron-hadron optical potential, avoiding the difficulties, associated with the solution of the multi-channel Luescher equation.

Exponential convergence for nonlinear diffusion problems with positive lateral boundary conditions

International Nuclear Information System (INIS)

Holland, C.J.; Berryman, J.G.

1985-01-01

It is established that the solution u of u/sub t/ = Δ(u/sup m/)>0, with positive initial data, positive lateral boundary data, and positive exponent m, converges exponentially to the solution v of the corresponding stationary equation Δ(v/sup m/) = 0. The analysis also provides the form of the leading contribution to the difference

Two-photon NADH imaging exposes boundaries of oxygen diffusion in cortical vascular supply regions

OpenAIRE

Kasischke, Karl A; Lambert, Elton M; Panepento, Ben; Sun, Anita; Gelbard, Harris A; Burgess, Robert W; Foster, Thomas H; Nedergaard, Maiken

2010-01-01

Oxygen transport imposes a possible constraint on the brain's ability to sustain variable metabolic demands, but oxygen diffusion in the cerebral cortex has not yet been observed directly. We show that concurrent two-photon fluorescence imaging of endogenous nicotinamide adenine dinucleotide (NADH) and the cortical microcirculation exposes well-defined boundaries of tissue oxygen diffusion in the mouse cortex. The NADH fluorescence increases rapidly over a narrow, very low pO2 range with a p ...

Divergence-Free Wavelets on the Hypercube : General Boundary Conditions

NARCIS (Netherlands)

Stevenson, R.

2016-01-01

On the n-dimensional hypercube, for given k∈N, wavelet Riesz bases are constructed for the subspace of divergence-free vector fields of the Sobolev space Hk((0,1)n)n with general homogeneous Dirichlet boundary conditions, including slip or no-slip boundary conditions. Both primal and suitable dual

Simulation of the steady-state energy transfer in rigid bodies, with convective-radiative boundary conditions, employing a minimum principle

International Nuclear Information System (INIS)

Gama, R.M.S. da.

1992-08-01

The energy transfer phenomenon in a rigid and opaque body that exchanges energy, with the environment, by convection and by diffuse thermal radiation is studied. The considered phenomenon is described by a partial differential equation, subjected to (nonlinear) boundary conditions. A minimum principle, suitable for a large class of energy transfer problems is presented. Some particular cases are simulated. (author)

Spectral asymmetry for bag boundary conditions

International Nuclear Information System (INIS)

Beneventano, C G; Santangelo, E M; Wipf, A

2002-01-01

We give an expression, in terms of boundary spectral functions, for the spectral asymmetry of the Euclidean Dirac operator in two dimensions, when its domain is determined by local boundary conditions and the manifold is of product type. As an application, we explicitly evaluate the asymmetry in the case of a finite-length cylinder and check that the outcome is consistent with our general result. Finally, we study the asymmetry in a disc, which is a non-product case, and propose an interpretation

Prediction of the moments in advection-diffusion lattice Boltzmann method. II. Attenuation of the boundary layers via double-Λ bounce-back flux scheme

Science.gov (United States)

Ginzburg, Irina

2017-01-01

Impact of the unphysical tangential advective-diffusion constraint of the bounce-back (BB) reflection on the impermeable solid surface is examined for the first four moments of concentration. Despite the number of recent improvements for the Neumann condition in the lattice Boltzmann method-advection-diffusion equation, the BB rule remains the only known local mass-conserving no-flux condition suitable for staircase porous geometry. We examine the closure relation of the BB rule in straight channel and cylindrical capillary analytically, and show that it excites the Knudsen-type boundary layers in the nonequilibrium solution for full-weight equilibrium stencil. Although the d2Q5 and d3Q7 coordinate schemes are sufficient for the modeling of isotropic diffusion, the full-weight stencils are appealing for their advanced stability, isotropy, anisotropy and anti-numerical-diffusion ability. The boundary layers are not covered by the Chapman-Enskog expansion around the expected equilibrium, but they accommodate the Chapman-Enskog expansion in the bulk with the closure relation of the bounce-back rule. We show that the induced boundary layers introduce first-order errors in two primary transport properties, namely, mean velocity (first moment) and molecular diffusion coefficient (second moment). As a side effect, the Taylor-dispersion coefficient (second moment), skewness (third moment), and kurtosis (fourth moment) deviate from their physical values and predictions of the fourth-order Chapman-Enskog analysis, even though the kurtosis error in pure diffusion does not depend on grid resolution. In two- and three-dimensional grid-aligned channels and open-tubular conduits, the errors of velocity and diffusion are proportional to the diagonal weight values of the corresponding equilibrium terms. The d2Q5 and d3Q7 schemes do not suffer from this deficiency in grid-aligned geometries but they cannot avoid it if the boundaries are not parallel to the coordinate lines. In order

Divergent series and memory of the initial condition in the long-time solution of some anomalous diffusion problems.

Science.gov (United States)

Yuste, S Bravo; Borrego, R; Abad, E

2010-02-01

We consider various anomalous d -dimensional diffusion problems in the presence of an absorbing boundary with radial symmetry. The motion of particles is described by a fractional diffusion equation. Their mean-square displacement is given by r(2) proportional, variant t(gamma)(0divergent series appear when the concentration or survival probabilities are evaluated via the method of separation of variables. While the solution for normal diffusion problems is, at most, divergent as t-->0 , the emergence of such series in the long-time domain is a specific feature of subdiffusion problems. We present a method to regularize such series, and, in some cases, validate the procedure by using alternative techniques (Laplace transform method and numerical simulations). In the normal diffusion case, we find that the signature of the initial condition on the approach to the steady state rapidly fades away and the solution approaches a single (the main) decay mode in the long-time regime. In remarkable contrast, long-time memory of the initial condition is present in the subdiffusive case as the spatial part Psi1(r) describing the long-time decay of the solution to the steady state is determined by a weighted superposition of all spatial modes characteristic of the normal diffusion problem, the weight being dependent on the initial condition. Interestingly, Psi1(r) turns out to be independent of the anomalous diffusion exponent gamma .

Weak diffusion limits of dynamic conditional correlation models

DEFF Research Database (Denmark)

Hafner, Christian M.; Laurent, Sebastien; Violante, Francesco

The properties of dynamic conditional correlation (DCC) models are still not entirely understood. This paper fills one of the gaps by deriving weak diffusion limits of a modified version of the classical DCC model. The limiting system of stochastic differential equations is characterized...... by a diffusion matrix of reduced rank. The degeneracy is due to perfect collinearity between the innovations of the volatility and correlation dynamics. For the special case of constant conditional correlations, a non-degenerate diffusion limit can be obtained. Alternative sets of conditions are considered...

Classically integrable boundary conditions for symmetric-space sigma models

International Nuclear Information System (INIS)

MacKay, N.J.; Young, C.A.S.

2004-01-01

We investigate boundary conditions for the non-linear sigma model on the compact symmetric space G/H. The Poisson brackets and the classical local conserved charges necessary for integrability are preserved by boundary conditions which correspond to involutions which commute with the involution defining H. Applied to SO(3)/SO(2), the non-linear sigma model on S 2 , these yield the great circles as boundary submanifolds. Applied to GxG/G, they reproduce known results for the principal chiral model

A suitable boundary condition for bounded plasma simulation without sheath resolution

International Nuclear Information System (INIS)

Parker, S.E.; Procassini, R.J.; Birdsall, C.K.; Cohen, B.I.

1993-01-01

We have developed a technique that allows for a sheath boundary layer without having to resolve the inherently small space and time scales of the sheath region. We refer to this technique as the logical sheath boundary condition. This boundary condition, when incorporated into a direct-implicit particle code, permits large space- and time-scale simulations of bounded systems, which would otherwise be impractical on current supercomputers. The lack of resolution of the collector sheath potential drop obtained from conventional implicit simulations at moderate values of ω pe Δt and Δz/λ De provides the motivation for the development of the logical sheath boundary condition. The algorithm for use of the logical sheath boundary condition in a particle simulation is presented. Results from simulations which use the logical sheath boundary condition are shown to compare reasonably well with those from an analytic theory and simulations in which the sheath is resolved

Nested Bethe Ansatz for Spin Ladder Model with Open Boundary Conditions

International Nuclear Information System (INIS)

Wu Junfang; Zhang Chunmin; Yue Ruihong; Li Runling

2005-01-01

The nested Bethe ansatz (BA) method is applied to find the eigenvalues and the eigenvectors of the transfer matrix for spin-ladder model with open boundary conditions. Based on the reflection equation, we find the general diagonal solution, which determines the general boundary interaction in the Hamiltonian. We introduce the spin-ladder model with open boundary conditions. By finding the solution K ± of the reflection equation which determines the nontrivial boundary terms in the Hamiltonian, we diagonalize the transfer matrix of the spin-ladder model with open boundary conditions in the framework of nested BA.

Effective Stress Law in Unconventional Reservoirs under Different Boundary Conditions

Science.gov (United States)

Saurabh, S.; Harpalani, S.

2017-12-01

Unconventional reservoirs have attracted a great deal of research interest worldwide during the past two decades. Low permeability and specialized techniques required to exploit these resources present opportunities for improvement in both production rates and ultimate recovery. Understanding subsurface stress modifications and permeability evolution are valuable when evaluating the prospects of unconventional reservoirs. These reservoir properties are functions of effective stress. As a part of this study, effective stress law, specifically the variation of anisotropic Biot's coefficient under various boundary conditions believed to exist in gas reservoirs by different researchers, has been established. Pressure-dependent-permeability (PdK) experiments were carried out on San Juan coal under different boundary conditions, that is, uniaxial strain condition and constant volume condition. Stress and strain in the vertical and horizontal directions were monitored throughout the experiment. Data collected during the experiments was used to determine the Biot's coefficient in vertical and horizontal directions under these two boundary conditions, treating coal as transversely isotropic. The variation of Biot's coefficient was found to be well correlated with the variation in coal permeability. Based on the estimated values of Biot's coefficients, a theory of variation in its value is presented for other boundary conditions. The findings of the study shed light on the inherent behavior of Biot's coefficient under different reservoir boundary conditions. This knowledge can improve the modeling work requiring estimation of effective stress in reservoirs, such as, pressure-/stress- dependent permeability. At the same time, if the effective stresses are known with more certainty by other methods, it enables assessment of the unknown reservoir boundary conditions.

A numerical method for osmotic water flow and solute diffusion with deformable membrane boundaries in two spatial dimension

Science.gov (United States)

Yao, Lingxing; Mori, Yoichiro

2017-12-01

Osmotic forces and solute diffusion are increasingly seen as playing a fundamental role in cell movement. Here, we present a numerical method that allows for studying the interplay between diffusive, osmotic and mechanical effects. An osmotically active solute obeys a advection-diffusion equation in a region demarcated by a deformable membrane. The interfacial membrane allows transmembrane water flow which is determined by osmotic and mechanical pressure differences across the membrane. The numerical method is based on an immersed boundary method for fluid-structure interaction and a Cartesian grid embedded boundary method for the solute. We demonstrate our numerical algorithm with the test case of an osmotic engine, a recently proposed mechanism for cell propulsion.

Boundary element methods applied to two-dimensional neutron diffusion problems

International Nuclear Information System (INIS)

Itagaki, Masafumi

1985-01-01

The Boundary element method (BEM) has been applied to two-dimensional neutron diffusion problems. The boundary integral equation and its discretized form have been derived. Some numerical techniques have been developed, which can be applied to critical and fixed-source problems including multi-region ones. Two types of test programs have been developed according to whether the 'zero-determinant search' or the 'source iteration' technique is adopted for criticality search. Both programs require only the fluxes and currents on boundaries as the unknown variables. The former allows a reduction in computing time and memory in comparison with the finite element method (FEM). The latter is not always efficient in terms of computing time due to the domain integral related to the inhomogeneous source term; however, this domain integral can be replaced by the equivalent boundary integral for a region with a non-multiplying medium or with a uniform source, resulting in a significant reduction in computing time. The BEM, as well as the FEM, is well suited for solving irregular geometrical problems for which the finite difference method (FDM) is unsuited. The BEM also solves problems with infinite domains, which cannot be solved by the ordinary FEM and FDM. Some simple test calculations are made to compare the BEM with the FEM and FDM, and discussions are made concerning the relative merits of the BEM and problems requiring future solution. (author)

Fictitious domain methods for elliptic problems with general boundary conditions with an application to the numerical simulation of two phase flows

International Nuclear Information System (INIS)

Ramiere, I.

2006-09-01

This work is dedicated to the introduction of two original fictitious domain methods for the resolution of elliptic problems (mainly convection-diffusion problems) with general and eventually mixed boundary conditions: Dirichlet, Robin or Neumann. The originality lies in the approximation of the immersed boundary by an approximate interface derived from the fictitious domain Cartesian mesh, which is generally not boundary-fitted to the physical domain. The same generic numerical scheme is used to impose the embedded boundary conditions. Hence, these methods require neither a surface mesh of the immersed boundary nor the local modification of the numerical scheme. We study two modelling of the immersed boundary. In the first one, called spread interface, the approximate immersed boundary is the union of the cells crossed by the physical immersed boundary. In the second one, called thin interface, the approximate immersed boundary lies on sides of mesh cells. Additional algebraic transmission conditions linking both flux and solution jumps through the thin approximate interface are introduced. The fictitious problem to solve as well as the treatment of the embedded boundary conditions are detailed for the two methods. A Q1 finite element scheme is implemented for the numerical validation of the spread interface approach while a new cell-centered finite volume scheme is derived for the thin interface approach with immersed jumps. Each method is then combined to multilevel local mesh refinement algorithms (with solution or flux residual) to increase the precision of the solution in the vicinity of the immersed interface. A convergence analysis of a Q1 finite element method with non-boundary fitted meshes is also presented. This study proves the convergence rates of the present methods. Among the various industrial applications, the simulation on a model of heat exchanger in french nuclear power plants enables us to appreciate the performances of the fictitious domain

An(1) affine Toda field theories with integrable boundary conditions revisited

International Nuclear Information System (INIS)

Doikou, Anastasia

2008-01-01

Generic classically integrable boundary conditions for the A n (1) affine Toda field theories (ATFT) are investigated. The present analysis rests primarily on the underlying algebra, defined by the classical version of the reflection equation. We use as a prototype example the first non-trivial model of the hierarchy i.e. the A 2 (1) ATFT, however our results may be generalized for any A n (1) (n > 1). We assume here two distinct types of boundary conditions called some times soliton preserving (SP), and soliton non-preserving (SNP) associated to two distinct algebras, i.e. the reflection algebra and the (q) twisted Yangian respectively. The boundary local integrals of motion are then systematically extracted from the asymptotic expansion of the associated transfer matrix. In the case of SNP boundary conditions we recover previously known results. The other type of boundary conditions (SP), associated to the reflection algebra, are novel in this context and lead to a different set of conserved quantities that depend on free boundary parameters. It also turns out that the number of local integrals of motion for SP boundary conditions is 'double' compared to those of the SNP case.

Entropy Stable Wall Boundary Conditions for the Compressible Navier-Stokes Equations

Science.gov (United States)

Parsani, Matteo; Carpenter, Mark H.; Nielsen, Eric J.

2014-01-01

Non-linear entropy stability and a summation-by-parts framework are used to derive entropy stable wall boundary conditions for the compressible Navier-Stokes equations. A semi-discrete entropy estimate for the entire domain is achieved when the new boundary conditions are coupled with an entropy stable discrete interior operator. The data at the boundary are weakly imposed using a penalty flux approach and a simultaneous-approximation-term penalty technique. Although discontinuous spectral collocation operators are used herein for the purpose of demonstrating their robustness and efficacy, the new boundary conditions are compatible with any diagonal norm summation-by-parts spatial operator, including finite element, finite volume, finite difference, discontinuous Galerkin, and flux reconstruction schemes. The proposed boundary treatment is tested for three-dimensional subsonic and supersonic flows. The numerical computations corroborate the non-linear stability (entropy stability) and accuracy of the boundary conditions.

On boundary conditions in three-dimensional AdS gravity

Energy Technology Data Exchange (ETDEWEB)

Miskovic, Olivera [Instituto de Fisica, P. Universidad Catolica de Valparaiso, Casilla 4059, Valparaiso (Chile) and Departamento de Fisica, P. Universidad Catolica de Chile, Casilla 306, Santiago 22 (Chile)]. E-mail: olivera.miskovic@ucv.cl; Olea, Rodrigo [Departamento de Fisica, P. Universidad Catolica de Chile, Casilla 306, Santiago 22 (Chile) and Centro Multidisciplinar de Astrofisica, CENTRA, Departamento de Fisica, Instituto Superior Tecnico, Universidade Tecnica de Lisboa, Av. Rovisco Pais 1, 1049-001 Lisbon (Portugal)]. E-mail: rolea@fisica.ist.utl.pt

2006-09-07

A finite action principle for three-dimensional gravity with negative cosmological constant, based on a boundary condition for the asymptotic extrinsic curvature, is considered. The bulk action appears naturally supplemented by a boundary term that is one half the Gibbons-Hawking term, that makes the Euclidean action and the Noether charges finite without additional Dirichlet counterterms. The consistency of this boundary condition with the Dirichlet problem in AdS gravity and the Chern-Simons formulation in three dimensions, and its suitability for the higher odd-dimensional case, are also discussed.

Influence of annealing temperature on the Dy diffusion process in NdFeB magnets

Science.gov (United States)

Hu, Sheng-qing; Peng, Kun; Chen, Hong

2017-03-01

Sintered NdFeB magnets were coated with a layer of Dy metal using electron beam evaporation method and then annealed at various temperatures to investigate the temperature dependence of Dy diffusion process in NdFeB magnets. A Dy-rich phase was observed along the grain boundaries after the grain boundary diffusion process, the diffusion coefficients of various temperatures were obtained, the diffusion coefficients of Dy along the grain boundaries at 800 °C and 900 °C were determined to be 9.8×10-8 cm2 s-1 and 2.4×10-7 cm2 s-1, respectively. The diffusion length depended on the annealing temperature and the maximum diffusion length of approximately 1.8 mm and 3.0 mm can be obtained after annealing at 800 °C and 900 °C for 8 h. Higher diffusion temperature results in the diffusion not only along the grain boundaries but also into grains and then decrease in magnetic properties. The optimum annealing conditions can be determined as 900 °C for 8 h. The coercivity was improved from 1040 kA/m to 1450 kA/m and its magnetization has no significant reduction after the grain boundary diffusion process at the optimum annealing conditions.

Two-photon NADH imaging exposes boundaries of oxygen diffusion in cortical vascular supply regions.

Science.gov (United States)

Kasischke, Karl A; Lambert, Elton M; Panepento, Ben; Sun, Anita; Gelbard, Harris A; Burgess, Robert W; Foster, Thomas H; Nedergaard, Maiken

2011-01-01

Oxygen transport imposes a possible constraint on the brain's ability to sustain variable metabolic demands, but oxygen diffusion in the cerebral cortex has not yet been observed directly. We show that concurrent two-photon fluorescence imaging of endogenous nicotinamide adenine dinucleotide (NADH) and the cortical microcirculation exposes well-defined boundaries of tissue oxygen diffusion in the mouse cortex. The NADH fluorescence increases rapidly over a narrow, very low pO(2) range with a p(50) of 3.4 ± 0.6 mm Hg, thereby establishing a nearly binary reporter of significant, metabolically limiting hypoxia. The transient cortical tissue boundaries of NADH fluorescence exhibit remarkably delineated geometrical patterns, which define the limits of tissue oxygen diffusion from the cortical microcirculation and bear a striking resemblance to the ideal Krogh tissue cylinder. The visualization of microvessels and their regional contribution to oxygen delivery establishes penetrating arterioles as major oxygen sources in addition to the capillary network and confirms the existence of cortical oxygen fields with steep microregional oxygen gradients. Thus, two-photon NADH imaging can be applied to expose vascular supply regions and to localize functionally relevant microregional cortical hypoxia with micrometer spatial resolution.

Automated Boundary Conditions for Wind Tunnel Simulations

Science.gov (United States)

Carlson, Jan-Renee

2018-01-01

Computational fluid dynamic (CFD) simulations of models tested in wind tunnels require a high level of fidelity and accuracy particularly for the purposes of CFD validation efforts. Considerable effort is required to ensure the proper characterization of both the physical geometry of the wind tunnel and recreating the correct flow conditions inside the wind tunnel. The typical trial-and-error effort used for determining the boundary condition values for a particular tunnel configuration are time and computer resource intensive. This paper describes a method for calculating and updating the back pressure boundary condition in wind tunnel simulations by using a proportional-integral-derivative controller. The controller methodology and equations are discussed, and simulations using the controller to set a tunnel Mach number in the NASA Langley 14- by 22-Foot Subsonic Tunnel are demonstrated.

Boundary conditions for the numerical solution of elliptic equations in exterior regions

International Nuclear Information System (INIS)

Bayliss, A.; Gunzburger, M.; Turkel, E.

1982-01-01

Elliptic equations in exterior regions frequently require a boundary condition at infinity to ensure the well-posedness of the problem. Examples of practical applications include the Helmholtz equation and Laplace's equation. Computational procedures based on a direct discretization of the elliptic problem require the replacement of the condition at infinity by a boundary condition on a finite artificial surface. Direct imposition of the condition at infinity along the finite boundary results in large errors. A sequence of boundary conditions is developed which provides increasingly accurate approximations to the problem in the infinite domain. Estimates of the error due to the finite boundary are obtained for several cases. Computations are presented which demonstrate the increased accuracy that can be obtained by the use of the higher order boundary conditions. The examples are based on a finite element formulation but finite difference methods can also be used

On domain wall boundary conditions for the XXZ spin Hamiltonian

DEFF Research Database (Denmark)

Orlando, Domenico; Reffert, Susanne; Reshetikhin, Nicolai

In this note, we derive the spectrum of the infinite quantum XXZ spin chain with domain wall boundary conditions. The eigenstates are constructed as limits of Bethe states for the finite XXZ spin chain with quantum sl(2) invariant boundary conditions....

Diffusion of the 65Zn radiotracer in ZnO polycrystalline ceramics

Directory of Open Access Journals (Sweden)

Maria Auxiliadora das Neves Nogueira

2003-06-01

Full Text Available Zinc self-diffusion coefficients were measured in polycrystalline ZnO of high density (>99% of the theoretical density and of high purity (> 99.999%. The diffusion experiments were performed from 1006 to 1377 °C, in oxygen atmosphere, for times between 16 and 574 h. The diffusion profiles were established by means of Residual Activity Method using the 65Zn radioactive isotope as zinc tracer. In our experimental conditions, the zinc volume diffusion coefficients can be described by the following Arrhenius relationship: D(cm²/s = 1.57×10-3 exp[(-2.66 ± 0.26 eV/kT]. In the same experimental conditions, the grain-boundary diffusion coefficients are approximately 4 orders of magnitude greater than the volume diffusion coefficients, and can be described by the Arrhenius relation: D'delta (cm³/s = 1.59×10-6 exp[(-2.44 ± 0.45 eV/kT], where D' is the grain-boundary diffusion coefficient and delta is the grain boundary width.

Solution of a Problem Linear Plane Elasticity with Mixed Boundary Conditions by the Method of Boundary Integrals

Directory of Open Access Journals (Sweden)

Nahed S. Hussein

2014-01-01

Full Text Available A numerical boundary integral scheme is proposed for the solution to the system of …eld equations of plane. The stresses are prescribed on one-half of the circle, while the displacements are given. The considered problem with mixed boundary conditions in the circle is replaced by two problems with homogeneous boundary conditions, one of each type, having a common solution. The equations are reduced to a system of boundary integral equations, which is then discretized in the usual way, and the problem at this stage is reduced to the solution to a rectangular linear system of algebraic equations. The unknowns in this system of equations are the boundary values of four harmonic functions which define the full elastic solution and the unknown boundary values of stresses or displacements on proper parts of the boundary. On the basis of the obtained results, it is inferred that a stress component has a singularity at each of the two separation points, thought to be of logarithmic type. The results are discussed and boundary plots are given. We have also calculated the unknown functions in the bulk directly from the given boundary conditions using the boundary collocation method. The obtained results in the bulk are discussed and three-dimensional plots are given. A tentative form for the singular solution is proposed and the corresponding singular stresses and displacements are plotted in the bulk. The form of the singular tangential stress is seen to be compatible with the boundary values obtained earlier. The efficiency of the used numerical schemes is discussed.

Simulations of QCD and QED with C* boundary conditions

Science.gov (United States)

Hansen, Martin; Lucini, Biagio; Patella, Agostino; Tantalo, Nazario

2018-03-01

We present exploratory results from dynamical simulations of QCD in isolation, as well as QCD coupled to QED, with C* boundary conditions. In finite volume, the use of C* boundary conditions allows for a gauge invariant and local formulation of QED without zero modes. In particular we show that the simulations reproduce known results and that masses of charged mesons can be extracted in a completely gauge invariant way. For the simulations we use a modified version of the HiRep code. The primary features of the simulation code are presented and we discuss some details regarding the implementation of C* boundary conditions and the simulated lattice action. Preprint: CP3-Origins-2017-046 DNRF90, CERN-TH-2017-214

Critical effects of downstream boundary conditions on vortex breakdown

Science.gov (United States)

Kandil, Osama; Kandil, Hamdy A.; Liu, C. H.

1992-01-01

The unsteady, compressible, full Navier-Stokes (NS) equations are used to study the critical effects of the downstream boundary conditions on the supersonic vortex breakdown. The present study is applied to two supersonic vortex breakdown cases. In the first case, quasi-axisymmetric supersonic swirling flow is considered in a configured circular duct, and in the second case, quasi-axisymmetric supersonic swirling jet, that is issued from a nozzle into a supersonic jet of lower Mach number, is considered. For the configured duct flow, four different types of downstream boundary conditions are used, and for the swirling jet flow from the nozzle, two types of downstream boundary conditions are used. The solutions are time accurate which are obtained using an implicit, upwind, flux-difference splitting, finite-volume scheme.

Boundary conditions for plasma fluid models at the magnetic presheath entrance

International Nuclear Information System (INIS)

Loizu, J.; Ricci, P.; Halpern, F. D.; Jolliet, S.

2012-01-01

The proper boundary conditions at the magnetic presheath entrance for plasma fluid turbulence models based on the drift approximation are derived, focusing on a weakly collisional plasma sheath with T i ≪T e and a magnetic field oblique to a totally absorbing wall. First, the location of the magnetic presheath entrance is rigorously derived. Then boundary conditions at the magnetic presheath entrance are analytically deduced for v ||i , v ||e , n, φ, T e , and for the vorticity ω=∇ ⊥ 2 φ. The effects of E × B and diamagnetic drifts on the boundary conditions are also investigated. Kinetic simulations are performed that confirm the analytical results. Finally, the new set of boundary conditions is implemented in a three-dimensional global fluid code for the simulation of plasma turbulence and, as an example, the results of a tokamak scrape-off layer simulation are discussed. The framework presented can be generalized to obtain boundary conditions at the magnetic presheath entrance in more complex scenarios.

A device adaptive inflow boundary condition for Wigner equations of quantum transport

International Nuclear Information System (INIS)

Jiang, Haiyan; Lu, Tiao; Cai, Wei

2014-01-01

In this paper, an improved inflow boundary condition is proposed for Wigner equations in simulating a resonant tunneling diode (RTD), which takes into consideration the band structure of the device. The original Frensley inflow boundary condition prescribes the Wigner distribution function at the device boundary to be the semi-classical Fermi–Dirac distribution for free electrons in the device contacts without considering the effect of the quantum interaction inside the quantum device. The proposed device adaptive inflow boundary condition includes this effect by assigning the Wigner distribution to the value obtained from the Wigner transform of wave functions inside the device at zero external bias voltage, thus including the dominant effect on the electron distribution in the contacts due to the device internal band energy profile. Numerical results on computing the electron density inside the RTD under various incident waves and non-zero bias conditions show much improvement by the new boundary condition over the traditional Frensley inflow boundary condition

Positive solutions of nonlinear fractional boundary value problems with Dirichlet boundary conditions

Directory of Open Access Journals (Sweden)

Qingkai Kong

2012-02-01

Full Text Available In this paper, we study the existence and multiplicity of positive solutions of a class of nonlinear fractional boundary value problems with  Dirichlet boundary conditions. By applying the fixed point theory on cones we establish a series of criteria for the existence of one, two, any arbitrary finite number, and an infinite number of positive solutions. A criterion for the nonexistence of positive solutions is also derived. Several examples are given for demonstration.

Strong trapping and slow diffusion of helium in a tungsten grain boundary

Energy Technology Data Exchange (ETDEWEB)

Wang, Xin-Xin [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); School of Materials Science and Engineering, University of Science and Technology of China, Hefei 230026 (China); Niu, Liang-Liang, E-mail: nliangli@umich.edu [Department of Physics, Beihang University, Beijing 100191 (China); Department of Nuclear Engineering and Radiological Science, University of Michigan, Ann Arbor, MI 48109 (United States); Wang, Shaoqing [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)

2017-04-15

We have investigated the segregation, trapping and diffusion of He in a ∑3<110>{111} W grain boundary (GB) using combined techniques of ab initio and classical atomistic simulations. We show that, with an average segregation energy of −3.20 eV, the strong He trapping can be attributed to a GB interstitial trapping or a vacancy trapping mechanism, while an average energy barrier of 1.97 eV leads to a slow diffusion of He in the GB plane. We further reveal by molecular dynamics simulations that the He diffusion will be dictated by GB migration through the motion of GB disconnections. Interestingly, we also observe a He-induced GB structural transition in classical simulations. The present work suggests that the GB does not provide fast transport channel for He, providing useful reference for the possible application of polycrystalline W under He irradiation in advanced nuclear fusion reactors.

On the symmetry of the boundary conditions of the volume potential

Science.gov (United States)

Kal'menov, Tynysbek Sh.; Arepova, Gaukhar; Suragan, Durvudkhan

2017-09-01

It is well known that the volume potential determines the mass or the charge distributed over the domain with density f. The volume potential is extensively used in function theory and embedding theorems. It is also well known that the volume potential gives a solution to an inhomogeneous equation. And it generates a linear self-adjoint operator. It is known that self-adjoint differential operators are generated by boundary conditions. In our previous papers for an arbitrary domain a boundary condition on the volume potential is given. In the past, it was not possible to prove the self-adjointness of these obtained boundary conditions. In the present paper, we prove the symmetry of boundary condition for the volume potential.

Neutron transport assembly calculation with non-zero net current boundary condition

International Nuclear Information System (INIS)

Jo, Chang Keun

1993-02-01

Fuel assembly calculation for the homogenized group constants is one of the most important parts in the reactor core analysis. The homogenized group constants of one a quarter assembly are usually generated for the nodal calculation of the reactor core. In the current nodal calculation, one or a quarter of the fuel assembly corresponds to a unit node. The homogenized group constant calculation for a fuel assembly proceeds through cell spectrum calculations, group condensation and cell homogenization calculations, two dimensional fuel assembly calculation, and then depletion calculations of fuel rods. To obtain the assembly wise homogenized group constants, the two dimensional transport calculation is usually performed. Most codes for the assembly wise homogenized group constants employ a zero net current boundary condition. CASMO-3 is such a code that is in wide use. The zero net current boundary condition is plausible and valid in an infinite reactor composed of the same kind of assemblies. However, the reactor is finite and the core is constructed by different kinds of assemblies. Hence, the assumption of the zero net current boundary condition is not valid in the actual reactor. The objective of this study is to develop a homogenization methodology that can treat any actual boundary condition, i.e. non-zero net current boundary condition. In order to treat the non-zero net current boundary condition, we modify CASMO-3. For the two-dimensional treatment in CASMO-3, a multigroup integral transport routine based on the method of transmission probability is used. The code performs assembly calculation with zero net current boundary condition. CASMO-3 is modified to consider the inhomogeneous source at the assembly boundary surface due to the non-zero net current. The modified version of CASMO-3 is called CASMO-3M. CASMO-3M is applied to several benchmark problems. In order to obtain the inhomogeneous source, the global calculation is performed. The local calculation

Inertial effects in diffusion-limited reactions

International Nuclear Information System (INIS)

Dorsaz, N; Foffi, G; De Michele, C; Piazza, F

2010-01-01

Diffusion-limited reactions are commonly found in biochemical processes such as enzyme catalysis, colloid and protein aggregation and binding between different macromolecules in cells. Usually, such reactions are modeled within the Smoluchowski framework by considering purely diffusive boundary problems. However, inertial effects are not always negligible in real biological or physical media on typical observation time frames. This is all the more so for non-bulk phenomena involving physical boundaries, that introduce additional time and space constraints. In this paper, we present and test a novel numerical scheme, based on event-driven Brownian dynamics, that allows us to explore a wide range of velocity relaxation times, from the purely diffusive case to the underdamped regime. We show that our algorithm perfectly reproduces the solution of the Fokker-Planck problem with absorbing boundary conditions in all the regimes considered and is thus a good tool for studying diffusion-guided reactions in complex biological environments.

Influence of annealing temperature on the Dy diffusion process in NdFeB magnets

Energy Technology Data Exchange (ETDEWEB)

Hu, Sheng-qing, E-mail: joy_hsq@126.com [State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083 (China); Peng, Kun, E-mail: kpeng@hnu.edu.cn [State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083 (China); College of Materials Science and Engineering, Hunan University, Changsha 410082 (China); Chen, Hong [State Key Laboratory of Powder Metallurgy, Central South University, Changsha 410083 (China)

2017-03-15

Sintered NdFeB magnets were coated with a layer of Dy metal using electron beam evaporation method and then annealed at various temperatures to investigate the temperature dependence of Dy diffusion process in NdFeB magnets. A Dy-rich phase was observed along the grain boundaries after the grain boundary diffusion process, the diffusion coefficients of various temperatures were obtained, the diffusion coefficients of Dy along the grain boundaries at 800 °C and 900 °C were determined to be 9.8×10{sup −8} cm{sup 2} s{sup −1} and 2.4×10{sup −7} cm{sup 2} s{sup −1}, respectively. The diffusion length depended on the annealing temperature and the maximum diffusion length of approximately 1.8 mm and 3.0 mm can be obtained after annealing at 800 °C and 900 °C for 8 h. Higher diffusion temperature results in the diffusion not only along the grain boundaries but also into grains and then decrease in magnetic properties. The optimum annealing conditions can be determined as 900 °C for 8 h. The coercivity was improved from 1040 kA/m to 1450 kA/m and its magnetization has no significant reduction after the grain boundary diffusion process at the optimum annealing conditions. - Highlights: • The optimum annealing conditions can be determined as 900 °C for 8 h. • The diffusion coefficient of Dy at 900 °Care determined to be 2.4×10{sup −7} cm{sup 2} s{sup −1}. • A maximum diffusion length of about 3 mm can be obtained.

Discrete multi-physics simulations of diffusive and convective mass transfer in boundary layers containing motile cilia in lungs.

Science.gov (United States)

Ariane, Mostapha; Kassinos, Stavros; Velaga, Sitaram; Alexiadis, Alessio

2018-04-01

In this paper, the mass transfer coefficient (permeability) of boundary layers containing motile cilia is investigated by means of discrete multi-physics. The idea is to understand the main mechanisms of mass transport occurring in a ciliated-layer; one specific application being inhaled drugs in the respiratory epithelium. The effect of drug diffusivity, cilia beat frequency and cilia flexibility is studied. Our results show the existence of three mass transfer regimes. A low frequency regime, which we called shielding regime, where the presence of the cilia hinders mass transport; an intermediate frequency regime, which we have called diffusive regime, where diffusion is the controlling mechanism; and a high frequency regime, which we have called convective regime, where the degree of bending of the cilia seems to be the most important factor controlling mass transfer in the ciliated-layer. Since the flexibility of the cilia and the frequency of the beat changes with age and health conditions, the knowledge of these three regimes allows prediction of how mass transfer varies with these factors. Copyright © 2018 Elsevier Ltd. All rights reserved.

Classically integrable boundary conditions for affine Toda field theories

International Nuclear Information System (INIS)

Bowcock, P.; Corrigan, E.; Dorey, P.E.; Rietdijk, R.H.

1995-01-01

Boundary conditions compatible with classical integrability are studied both directly, using an approach based on the explicit construction of conserved quantities, and indirectly by first developing a generalisation of the Lax pair idea. The latter approach is closer to the spirit of earlier work by Sklyanin and yields a complete set of conjectures for permissible boundary conditions for any affine Toda field theory. (orig.)

Facilitating conditions for boundary-spanning behavior in governance networks

OpenAIRE

Meerkerk, Ingmar; Edelenbos, Jurian

2017-01-01

textabstractThis article examines the impact of two facilitating conditions for boundary-spanning behaviour in urban governance networks. While research on boundary spanning is growing, there is little attention for antecedents. Combining governance network literature on project management and organizational literature on facilitative and servant leadership, we examine two potential conditions: a facilitative project management style and executive support. We conducted survey research among p...

Three-dimensional multiple reciprocity boundary element method for one-group neutron diffusion eigenvalue computations

International Nuclear Information System (INIS)

Itagaki, Masafumi; Sahashi, Naoki.

1996-01-01

The multiple reciprocity method (MRM) in conjunction with the boundary element method has been employed to solve one-group eigenvalue problems described by the three-dimensional (3-D) neutron diffusion equation. The domain integral related to the fission source is transformed into a series of boundary-only integrals, with the aid of the higher order fundamental solutions based on the spherical and the modified spherical Bessel functions. Since each degree of the higher order fundamental solutions in the 3-D cases has a singularity of order (1/r), the above series of boundary integrals requires additional terms which do not appear in the 2-D MRM formulation. The critical eigenvalue itself can be also described using only boundary integrals. Test calculations show that Wielandt's spectral shift technique guarantees rapid and stable convergence of 3-D MRM computations. (author)

A simple and efficient outflow boundary condition for the incompressible Navier–Stokes equations

Directory of Open Access Journals (Sweden)

Yibao Li

2017-01-01

Full Text Available Many researchers have proposed special treatments for outlet boundary conditions owing to lack of information at the outlet. Among them, the simplest method requires a large enough computational domain to prevent or reduce numerical errors at the boundaries. However, an efficient method generally requires special treatment to overcome the problems raised by the outlet boundary condition used. For example, mass flux is not conserved and the fluid field is not divergence-free at the outlet boundary. Overcoming these problems requires additional computational cost. In this paper, we present a simple and efficient outflow boundary condition for the incompressible Navier–Stokes equations, aiming to reduce the computational domain for simulating flow inside a long channel in the streamwise direction. The proposed outflow boundary condition is based on the transparent equation, where a weak formulation is used. The pressure boundary condition is derived by using the Navier–Stokes equations and the outlet flow boundary condition. In the numerical algorithm, a staggered marker-and-cell grid is used and temporal discretization is based on a projection method. The intermediate velocity boundary condition is consistently adopted to handle the velocity–pressure coupling. Characteristic numerical experiments are presented to demonstrate the robustness and accuracy of the proposed numerical scheme. Furthermore, the agreement of computational results from small and large domains suggests that our proposed outflow boundary condition can significantly reduce computational domain sizes.

Oblique radiation lateral open boundary conditions for a regional climate atmospheric model

Science.gov (United States)

Cabos Narvaez, William; De Frutos Redondo, Jose Antonio; Perez Sanz, Juan Ignacio; Sein, Dmitry

2013-04-01

The prescription of lateral boundary conditions in regional atmospheric models represent a very important issue for limited area models. The ill-posed nature of the open boundary conditions makes it necessary to devise schemes in order to filter spurious wave reflections at boundaries, being desirable to have one boundary condition per variable. On the other side, due to the essentially hyperbolic nature of the equations solved in state of the art atmospheric models, external data is required only for inward boundary fluxes. These circumstances make radiation lateral boundary conditions a good choice for the filtering of spurious wave reflections. Here we apply the adaptive oblique radiation modification proposed by Mikoyada and Roseti to each of the prognostic variables of the REMO regional atmospheric model and compare it to the more common normal radiation condition used in REMO. In the proposed scheme, special attention is paid to the estimation of the radiation phase speed, essential to detecting the direction of boundary fluxes. One of the differences with the classical scheme is that in case of outward propagation, the adaptive nudging imposed in the boundaries allows to minimize under and over specifications problems, adequately incorporating the external information.

Spectral distribution of scalar particles created by a moving boundary with Robin boundary condition

International Nuclear Information System (INIS)

Mintz, B.; Farina, C; Maia Neto, P.A.; Rodrigues, R.B.

2006-01-01

We consider a massless scalar field in 1+1 dimensions satisfying a Robin boundary condition (BC) at a non-relativistic boundary. By deriving a Bogoliubov transformation between the input and output bosonic field operators, we calculate the spectral distribution of created particles. The particular cases of Dirichlet and Neumann BC may be obtained from our result as limiting cases, yielding equal spectra (this result is valid only in this space-time dimensionality). The creation effect for the field under Dirichlet BC turns out to be an upper bound for the spectra derived for Robin BC. Also, we show that the particle creation phenomenon with Robin conditions can be considerably reduced (with respect to the Dirichlet or Neumann cases) by selecting a particular mechanical oscillation frequency of the moving boundary. (author)

Scattering through a straight quantum waveguide with combined boundary conditions

Czech Academy of Sciences Publication Activity Database

Briet, Ph.; Dittrich, Jaroslav; Soccorsi, E.

2014-01-01

Roč. 55, č. 11 (2014), s. 112104 ISSN 0022-2488 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : quantum waveguide * scattering * Dirichlet boundary condition * Neumann boundary condition Subject RIV: BE - Theoretical Physics Impact factor: 1.243, year: 2014

'Duality twisted'boundary conditions in n-state Potts Models

International Nuclear Information System (INIS)

Schuetz, G.

1992-11-01

We discuss a new class of toroidal boundary conditions for one-dimensional quantum Hamiltonian with S n symmetry which are related to two-dimensional n-state Potts models in the extreme anisotropic Hamiltonian limit. At their self-dual point (a point were a second-order phase transition occurs for n=2,3,4) the duality transformation is shown to be an additional symmetry giving rise to a new class of 'duality twisted' toroidal boundary conditions. This corresponding Hamiltonians are given in terms of generators of the periodic Temprely-Lieb algebra with an odd number of generators. We discuss as an example the critical Ising model. Here the complete spectrum for the new boundary conditions can be obtained from a projection mechanism in the spin-1/2 XXZ Heisenberg chain. (author)

Boundary value problems for multi-term fractional differential equations

Science.gov (United States)

Daftardar-Gejji, Varsha; Bhalekar, Sachin

2008-09-01

Multi-term fractional diffusion-wave equation along with the homogeneous/non-homogeneous boundary conditions has been solved using the method of separation of variables. It is observed that, unlike in the one term case, solution of multi-term fractional diffusion-wave equation is not necessarily non-negative, and hence does not represent anomalous diffusion of any kind.

Temperature field conduction solution by incomplete boundary condition

Energy Technology Data Exchange (ETDEWEB)

Novakovic, M; Petrasinovic, Lj; Djuric, M [Tehnoloski fakultet, Novi Sad (Yugoslavia); Perovic, N [Institut za Nuklearne Nauke Boris Kidric, Belgrade (Yugoslavia)

1977-01-01

The problem of determination of one part boundary conditions temperatures for Fourier partial differential equation when the other part of boundary condition and derivates (heat fluxes) are known is a practical interest as it enables one to determine and accessible temperature by measuring temperatures on other side, of the wall. Method developed and applied here consist of transforming the Fourier partial differential equation by time discretisation in sets of pairs of ordinary differential equations for temperature and heat flux. Such pair of differential equations of first order was solved by Runge-Kutta method. The integration proceeds along space interval simultaneosly for all time intervals. It is interesting to note that this procedure does not require the initial condition.

Einstein boundary conditions in relation to constraint propagation for the initial-boundary value problem of the Einstein equations

International Nuclear Information System (INIS)

Frittelli, Simonetta; Gomez, Roberto

2004-01-01

We show how the use of the normal projection of the Einstein tensor as a set of boundary conditions relates to the propagation of the constraints, for two representations of the Einstein equations with vanishing shift vector: the Arnowitt-Deser-Misner formulation, which is ill posed, and the Einstein-Christoffel formulation, which is symmetric hyperbolic. Essentially, the components of the normal projection of the Einstein tensor that act as nontrivial boundary conditions are linear combinations of the evolution equations with the constraints that are not preserved at the boundary, in both cases. In the process, the relationship of the normal projection of the Einstein tensor to the recently introduced 'constraint-preserving' boundary conditions becomes apparent

Studies of the phase gradient at the boundary of the phase diffusion equation, motivated by peculiar wave patterns of rhythmic contraction in the amoeboid movement of Physarum polycephalum

Science.gov (United States)

Iima, Makoto; Kori, Hiroshi; Nakagaki, Toshiyuki

2017-04-01

The boundary of a cell is the interface with its surroundings and plays a key role in controlling the cell movement adaptations to different environments. We propose a study of the boundary effects on the patterns and waves of the rhythmic contractions in plasmodia of Physarum polycephalum, a tractable model organism of the amoeboid type. Boundary effects are defined as the effects of both the boundary conditions and the boundary shape. The rhythmicity of contraction can be modulated by local stimulation of temperature, light and chemicals, and by local deformation of cell shape via mechanosensitive ion channels as well. First, we examined the effects of boundary cell shapes in the case of a special shape resembling a tadpole, while requiring that the natural frequency in the proximity of the boundary is slightly higher and uniform. The simulation model reproduced the approximate propagated wave, from the tail to the head, while the inward waves were observed only near the periphery of the head section of the tadpole-shape. A key finding was that the frequency of the rhythmic contractions depended on the local shape of cell boundary. This implies that the boundary conditions of the phase were not always homogeneous. To understand the dependency, we reduced the two-dimensional model into a one-dimensional continuum model with Neumann boundary conditions. Here, the boundary conditions reflect the frequency distribution at the boundary. We described the analytic solutions and calculated the relationship between the boundary conditions and the wave propagation for a one-dimensional model of the continuous oscillatory field and a discrete coupled oscillator system. The results obtained may not be limited to cell movement of Physarum, but may be applicable to the other physical systems since the analysis used a generic phase diffusion equation.

Studies of the phase gradient at the boundary of the phase diffusion equation, motivated by peculiar wave patterns of rhythmic contraction in the amoeboid movement of Physarum polycephalum

International Nuclear Information System (INIS)

Iima, Makoto; Kori, Hiroshi; Nakagaki, Toshiyuki

2017-01-01

The boundary of a cell is the interface with its surroundings and plays a key role in controlling the cell movement adaptations to different environments. We propose a study of the boundary effects on the patterns and waves of the rhythmic contractions in plasmodia of Physarum polycephalum , a tractable model organism of the amoeboid type. Boundary effects are defined as the effects of both the boundary conditions and the boundary shape. The rhythmicity of contraction can be modulated by local stimulation of temperature, light and chemicals, and by local deformation of cell shape via mechanosensitive ion channels as well. First, we examined the effects of boundary cell shapes in the case of a special shape resembling a tadpole, while requiring that the natural frequency in the proximity of the boundary is slightly higher and uniform. The simulation model reproduced the approximate propagated wave, from the tail to the head, while the inward waves were observed only near the periphery of the head section of the tadpole-shape. A key finding was that the frequency of the rhythmic contractions depended on the local shape of cell boundary. This implies that the boundary conditions of the phase were not always homogeneous. To understand the dependency, we reduced the two-dimensional model into a one-dimensional continuum model with Neumann boundary conditions. Here, the boundary conditions reflect the frequency distribution at the boundary. We described the analytic solutions and calculated the relationship between the boundary conditions and the wave propagation for a one-dimensional model of the continuous oscillatory field and a discrete coupled oscillator system. The results obtained may not be limited to cell movement of Physarum , but may be applicable to the other physical systems since the analysis used a generic phase diffusion equation. (paper)

Study and simulations of quick diffusion in Zr-based alloys

Energy Technology Data Exchange (ETDEWEB)

Corvalán, C., E-mail: corvalan@cnea.gov.ar [UNTREF (Universidad Nacional de Tres de Febrero), General Enrique Mosconi 2736, B1674AHF, Buenos Aires (Argentina); Gerencia de Materiales, CAC, Comisión de Energía Atómica, Av. del Libertador 8250, C1429BNP Buenos Aires (Argentina); Consejo Nacional de Investigaciones Científicas y Técnicas (Argentina); Lucía, A. [UNTREF (Universidad Nacional de Tres de Febrero), General Enrique Mosconi 2736, B1674AHF, Buenos Aires (Argentina); Instituto Sabato, Comisión Nacional de Energía Atómica, Universidad Nacional de San Martín, Buenos Aires (Argentina); Iribarren, M. [Gerencia de Materiales, CAC, Comisión de Energía Atómica, Av. del Libertador 8250, C1429BNP Buenos Aires (Argentina); Instituto Sabato, Comisión Nacional de Energía Atómica, Universidad Nacional de San Martín, Buenos Aires (Argentina); Servant, C. [Laboratoire de Physicochimie de l' Etat Solide, UMR 8182, ICMMO, Université de Paris-Sud XI, 91405 Orsay Cedex (France); Costa e Silva, A. [Universidade Federal Fluminense, Volta Redonda, RJ (Brazil)

2015-11-15

Zirconium and its alloys are widely used in the nuclear industry. Under normal conditions, Zr-alloys are polycrystalline and contain a high density of grain and interphase boundaries. These boundaries function as paths for accelerated matter movement. The movement of fast diffusing elements (Co, Fe, Cr, Ni) in Zr alloys along boundaries produces technologically important changes in the materials in nuclear reactors at normal temperatures (∼550 K) e.g.: segregation, phase precipitation, hydrogen absorption, etc. In this work, diffusion parameters for fast diffusion in Zr at low temperature were assessed for Co and Cr. An improved database for DICTRA (DIffusion-Controlled-TRAnsformation) software for fast diffusion was obtained. The diffusion parameters in grain boundaries of α-Zr for Cr and Co were used from a particular kinetic diffusion model [1]. Simulated profiles were compared with previous experimental work [2]. The results of the comparison and the adequacy of the improved database are discussed. Diffusion profiles on grain boundaries in α-Zr for Cr and Co are presented in the temperature range of 380–460 K. - Highlights: • An improved database for fast diffusion paths was obtained. • The diffusion parameters in type C kinetic on fast paths in α-Zr for Cr and Co were used. • Simulated diffusion profiles were compared with previous experimental results. This comparison and the adequacy of the improved database are discussed. • Diffusion parameters for fast diffusion paths in Zr at low temperature were assessed for Co and Cr. • Diffusion profiles on grain boundaries in α-Zr for Cr and Co are presented in the temperature range of 380–460 K.

Study and simulations of quick diffusion in Zr-based alloys

International Nuclear Information System (INIS)

Corvalán, C.; Lucía, A.; Iribarren, M.; Servant, C.; Costa e Silva, A.

2015-01-01

Zirconium and its alloys are widely used in the nuclear industry. Under normal conditions, Zr-alloys are polycrystalline and contain a high density of grain and interphase boundaries. These boundaries function as paths for accelerated matter movement. The movement of fast diffusing elements (Co, Fe, Cr, Ni) in Zr alloys along boundaries produces technologically important changes in the materials in nuclear reactors at normal temperatures (∼550 K) e.g.: segregation, phase precipitation, hydrogen absorption, etc. In this work, diffusion parameters for fast diffusion in Zr at low temperature were assessed for Co and Cr. An improved database for DICTRA (DIffusion-Controlled-TRAnsformation) software for fast diffusion was obtained. The diffusion parameters in grain boundaries of α-Zr for Cr and Co were used from a particular kinetic diffusion model [1]. Simulated profiles were compared with previous experimental work [2]. The results of the comparison and the adequacy of the improved database are discussed. Diffusion profiles on grain boundaries in α-Zr for Cr and Co are presented in the temperature range of 380–460 K. - Highlights: • An improved database for fast diffusion paths was obtained. • The diffusion parameters in type C kinetic on fast paths in α-Zr for Cr and Co were used. • Simulated diffusion profiles were compared with previous experimental results. This comparison and the adequacy of the improved database are discussed. • Diffusion parameters for fast diffusion paths in Zr at low temperature were assessed for Co and Cr. • Diffusion profiles on grain boundaries in α-Zr for Cr and Co are presented in the temperature range of 380–460 K.

Downstream-Conditioned Maximum Entropy Method for Exit Boundary Conditions in the Lattice Boltzmann Method

Directory of Open Access Journals (Sweden)

Javier A. Dottori

2015-01-01

Full Text Available A method for modeling outflow boundary conditions in the lattice Boltzmann method (LBM based on the maximization of the local entropy is presented. The maximization procedure is constrained by macroscopic values and downstream components. The method is applied to fully developed boundary conditions of the Navier-Stokes equations in rectangular channels. Comparisons are made with other alternative methods. In addition, the new downstream-conditioned entropy is studied and it was found that there is a correlation with the velocity gradient during the flow development.

Experimental verification of free-space singular boundary conditions in an invisibility cloak

International Nuclear Information System (INIS)

Wu, Qiannan; Gao, Fei; Song, Zhengyong; Lin, Xiao; Zhang, Youming; Zhang, Baile; Chen, Huanyang

2016-01-01

A major issue in invisibility cloaking, which caused intense mathematical discussions in the past few years but still remains physically elusive, is the plausible singular boundary conditions associated with the singular metamaterials at the inner boundary of an invisibility cloak. The perfect cloaking phenomenon, as originally proposed by Pendry et al for electromagnetic waves, cannot be treated as physical before a realistic inner boundary of a cloak is demonstrated. Although a recent demonstration has been done in a waveguide environment, the exotic singular boundary conditions should apply to a general environment as in free space. Here we fabricate a metamaterial surface that exhibits the singular boundary conditions and demonstrate its performance in free space. Particularly, the phase information of waves reflected from this metamaterial surface is explicitly measured, confirming the singular responses of boundary conditions for an invisibility cloak. (paper)

Experimental verification of free-space singular boundary conditions in an invisibility cloak

Science.gov (United States)

Wu, Qiannan; Gao, Fei; Song, Zhengyong; Lin, Xiao; Zhang, Youming; Chen, Huanyang; Zhang, Baile

2016-04-01

A major issue in invisibility cloaking, which caused intense mathematical discussions in the past few years but still remains physically elusive, is the plausible singular boundary conditions associated with the singular metamaterials at the inner boundary of an invisibility cloak. The perfect cloaking phenomenon, as originally proposed by Pendry et al for electromagnetic waves, cannot be treated as physical before a realistic inner boundary of a cloak is demonstrated. Although a recent demonstration has been done in a waveguide environment, the exotic singular boundary conditions should apply to a general environment as in free space. Here we fabricate a metamaterial surface that exhibits the singular boundary conditions and demonstrate its performance in free space. Particularly, the phase information of waves reflected from this metamaterial surface is explicitly measured, confirming the singular responses of boundary conditions for an invisibility cloak.

A new approach to implement absorbing boundary condition in biomolecular electrostatics.

Science.gov (United States)

Goni, Md Osman

2013-01-01

This paper discusses a novel approach to employ the absorbing boundary condition in conjunction with the finite-element method (FEM) in biomolecular electrostatics. The introduction of Bayliss-Turkel absorbing boundary operators in electromagnetic scattering problem has been incorporated by few researchers. However, in the area of biomolecular electrostatics, this boundary condition has not been investigated yet. The objective of this paper is twofold. First, to solve nonlinear Poisson-Boltzmann equation using Newton's method and second, to find an efficient and acceptable solution with minimum number of unknowns. In this work, a Galerkin finite-element formulation is used along with a Bayliss-Turkel absorbing boundary operator that explicitly accounts for the open field problem by mapping the Sommerfeld radiation condition from the far field to near field. While the Bayliss-Turkel condition works well when the artificial boundary is far from the scatterer, an acceptable tolerance of error can be achieved with the second order operator. Numerical results on test case with simple sphere show that the treatment is able to reach the same level of accuracy achieved by the analytical method while using a lower grid density. Bayliss-Turkel absorbing boundary condition (BTABC) combined with the FEM converges to the exact solution of scattering problems to within discretization error.

On Stable Wall Boundary Conditions for the Hermite Discretization of the Linearised Boltzmann Equation

Science.gov (United States)

Sarna, Neeraj; Torrilhon, Manuel

2018-01-01

We define certain criteria, using the characteristic decomposition of the boundary conditions and energy estimates, which a set of stable boundary conditions for a linear initial boundary value problem, involving a symmetric hyperbolic system, must satisfy. We first use these stability criteria to show the instability of the Maxwell boundary conditions proposed by Grad (Commun Pure Appl Math 2(4):331-407, 1949). We then recognise a special block structure of the moment equations which arises due to the recursion relations and the orthogonality of the Hermite polynomials; the block structure will help us in formulating stable boundary conditions for an arbitrary order Hermite discretization of the Boltzmann equation. The formulation of stable boundary conditions relies upon an Onsager matrix which will be constructed such that the newly proposed boundary conditions stay close to the Maxwell boundary conditions at least in the lower order moments.

Essential Boundary Conditions with Straight C1 Finite Elements in Curved Domains

International Nuclear Information System (INIS)

Ferraro, N.M.; Jardin, S.C.; Luo, X.

2010-01-01

The implementation of essential boundary conditions in C1 finite element analysis requires proper treatment of both the boundary conditions on second-order differentials of the solution and the curvature of the domain boundary. A method for the imposition of essential boundary conditions using straight elements (where the elements are not deformed to approximate a curved domain) is described. It is shown that pre-multiplication of the matrix equation by the local rotation matrix at each boundary node is not the optimal transformation. The uniquely optimal transformation is found, which does not take the form of a similarity transformation due to the non-orthogonality of the transformation to curved coordinates.

The boundary conditions for point transformed electromagnetic invisibility cloaks

International Nuclear Information System (INIS)

Weder, Ricardo

2008-01-01

In this paper we study point transformed electromagnetic invisibility cloaks in transformation media that are obtained by transformation from general anisotropic media. We assume that there are several point transformed electromagnetic cloaks located in different points in space. Our results apply in particular to the first-order invisibility cloaks introduced by Pendry et al and to the high-order invisibility cloaks introduced by Hendi et al and by Cai et al. We identify the appropriate cloaking boundary conditions that the solutions of Maxwell equations have to satisfy at the outside, ∂K + , and at the inside, ∂K - , of the boundary of the cloaked object K in the case where the permittivity and the permeability are bounded below and above in K. Namely, that the tangential components of the electric and the magnetic fields have to vanish at ∂K + -which is always true-and that the normal components of the curl of the electric and the magnetic fields have to vanish at ∂K - . These results are proven requiring that energy be conserved. In the case of one spherical cloak with a spherically stratified K and a radial current at ∂K we verify by an explicit calculation that our cloaking boundary conditions are satisfied and that cloaking of active devices holds, even if the current is at the boundary of the cloaked object. As we prove our results for media that are obtained by transformation from general anisotropic media, our results apply to the cloaking of objects with passive and active devices contained in general anisotropic media, in particular to objects with passive and active devices contained inside general crystals. Our results suggest a method to enhance cloaking in the approximate transformation media that are used in practice. Namely, to coat the boundary of the cloaked object (the inner boundary of the cloak) with a material that imposes the boundary conditions above. As these boundary conditions have to be satisfied for exact transformation

Canonical group quantization and boundary conditions

International Nuclear Information System (INIS)

Jung, Florian

2012-01-01

In the present thesis, we study quantization of classical systems with non-trivial phase spaces using the group-theoretical quantization technique proposed by Isham. Our main goal is a better understanding of global and topological aspects of quantum theory. In practice, the group-theoretical approach enables direct quantization of systems subject to constraints and boundary conditions in a natural and physically transparent manner -- cases for which the canonical quantization method of Dirac fails. First, we provide a clarification of the quantization formalism. In contrast to prior treatments, we introduce a sharp distinction between the two group structures that are involved and explain their physical meaning. The benefit is a consistent and conceptually much clearer construction of the Canonical Group. In particular, we shed light upon the 'pathological' case for which the Canonical Group must be defined via a central Lie algebra extension and emphasise the role of the central extension in general. In addition, we study direct quantization of a particle restricted to a half-line with 'hard wall' boundary condition. Despite the apparent simplicity of this example, we show that a naive quantization attempt based on the cotangent bundle over the half-line as classical phase space leads to an incomplete quantum theory; the reflection which is a characteristic aspect of the 'hard wall' is not reproduced. Instead, we propose a different phase space that realises the necessary boundary condition as a topological feature and demonstrate that quantization yields a suitable quantum theory for the half-line model. The insights gained in the present special case improve our understanding of the relation between classical and quantum theory and illustrate how contact interactions may be incorporated.

Periodic Boundary Conditions in the ALEGRA Finite Element Code

International Nuclear Information System (INIS)

Aidun, John B.; Robinson, Allen C.; Weatherby, Joe R.

1999-01-01

This document describes the implementation of periodic boundary conditions in the ALEGRA finite element code. ALEGRA is an arbitrary Lagrangian-Eulerian multi-physics code with both explicit and implicit numerical algorithms. The periodic boundary implementation requires a consistent set of boundary input sets which are used to describe virtual periodic regions. The implementation is noninvasive to the majority of the ALEGRA coding and is based on the distributed memory parallel framework in ALEGRA. The technique involves extending the ghost element concept for interprocessor boundary communications in ALEGRA to additionally support on- and off-processor periodic boundary communications. The user interface, algorithmic details and sample computations are given

Diffusion and mass transfer

CERN Document Server

Vrentas, James S

2013-01-01

The book first covers the five elements necessary to formulate and solve mass transfer problems, that is, conservation laws and field equations, boundary conditions, constitutive equations, parameters in constitutive equations, and mathematical methods that can be used to solve the partial differential equations commonly encountered in mass transfer problems. Jump balances, Green’s function solution methods, and the free-volume theory for the prediction of self-diffusion coefficients for polymer–solvent systems are among the topics covered. The authors then use those elements to analyze a wide variety of mass transfer problems, including bubble dissolution, polymer sorption and desorption, dispersion, impurity migration in plastic containers, and utilization of polymers in drug delivery. The text offers detailed solutions, along with some theoretical aspects, for numerous processes including viscoelastic diffusion, moving boundary problems, diffusion and reaction, membrane transport, wave behavior, sedime...

Discrete Green's Theorem, Green's Functions and Stable Radiative FDTD Boundary Conditions

NARCIS (Netherlands)

Arnold, J.M.; Hon, de B.P.

2007-01-01

We propose a radiative boundary condition for the discrete-grid formulation of Helmholtz’ equation, based on rational approximation in the frequency domain of a Green’s function for the discretised system. This boundary condition is free from instabilities.

Repulsive Casimir force from fractional Neumann boundary conditions

International Nuclear Information System (INIS)

Lim, S.C.; Teo, L.P.

2009-01-01

This Letter studies the finite temperature Casimir force acting on a rectangular piston associated with a massless fractional Klein-Gordon field at finite temperature. Dirichlet boundary conditions are imposed on the walls of a d-dimensional rectangular cavity, and a fractional Neumann condition is imposed on the piston that moves freely inside the cavity. The fractional Neumann condition gives an interpolation between the Dirichlet and Neumann conditions, where the Casimir force is known to be always attractive and always repulsive respectively. For the fractional Neumann boundary condition, the attractive or repulsive nature of the Casimir force is governed by the fractional order which takes values from zero (Dirichlet) to one (Neumann). When the fractional order is larger than 1/2, the Casimir force is always repulsive. For some fractional orders that are less than but close to 1/2, it is shown that the Casimir force can be either attractive or repulsive depending on the aspect ratio of the cavity and the temperature.

The influence of the magnetic boundary conditions on the nature of astrophysical convection

International Nuclear Information System (INIS)

Lopez, J.M.; Murphy, J.O.

1983-01-01

The effects of employing two forms of the boundary conditions for the magnetic field disturbance, H, are demonstrated. The appropriate conditions on H for current-free boundaries can be written as DHt-aH=0. The second case uses the conditions DH=0 at the lower and upper boundaries

Interface methods for hybrid Monte Carlo-diffusion radiation-transport simulations

International Nuclear Information System (INIS)

Densmore, Jeffery D.

2006-01-01

Discrete diffusion Monte Carlo (DDMC) is a technique for increasing the efficiency of Monte Carlo simulations in diffusive media. An important aspect of DDMC is the treatment of interfaces between diffusive regions, where DDMC is used, and transport regions, where standard Monte Carlo is employed. Three previously developed methods exist for treating transport-diffusion interfaces: the Marshak interface method, based on the Marshak boundary condition, the asymptotic interface method, based on the asymptotic diffusion-limit boundary condition, and the Nth-collided source technique, a scheme that allows Monte Carlo particles to undergo several collisions in a diffusive region before DDMC is used. Numerical calculations have shown that each of these interface methods gives reasonable results as part of larger radiation-transport simulations. In this paper, we use both analytic and numerical examples to compare the ability of these three interface techniques to treat simpler, transport-diffusion interface problems outside of a more complex radiation-transport calculation. We find that the asymptotic interface method is accurate regardless of the angular distribution of Monte Carlo particles incident on the interface surface. In contrast, the Marshak boundary condition only produces correct solutions if the incident particles are isotropic. We also show that the Nth-collided source technique has the capacity to yield accurate results if spatial cells are optically small and Monte Carlo particles are allowed to undergo many collisions within a diffusive region before DDMC is employed. These requirements make the Nth-collided source technique impractical for realistic radiation-transport calculations

A study of diffusion and grain boundaries in ionic compounds by the molecular dynamic method; Etude par dynamique moleculaire de la diffusion et des joints de grains dans les composes ioniques

Energy Technology Data Exchange (ETDEWEB)

Karakasidis, T

1995-11-13

In the first part, we present a model of variable cationic charges based on a rigid ion potential. In order to implement the model we performed static and dynamic simulations in calcium fluoride. The structural properties do not depend on the way the model is adjusted but the anion diffusion and the high frequency dielectric constant do. These results allowed to specify the criteria to adjust the variable charge model. As indicated by the behaviour of optical phonons this model introduced a supplementary polarisation mechanism to the rigid ion model. In the second part of this work, we studied the structural and diffusional behaviour of a high angle tilt grain boundary in NiO by molecular dynamics, using a usual rigid ion model. We examined structures with and without point defects between 0 K and 2500 K. The structure without defects presents always the lowest potential energy. In the others structures the defects can cluster and sometimes cause local changes in the boundary. Computer simulated images of high resolution electron microscopy, produced using these structures, present a similarity with the experimental ones. We calculated in the same boundary the diffusion coefficient of a doubly charged nickel vacancy between 2250 k and 2650 K. The atomic trajectories reveal the existence of preferential migration paths for the vacancy. The grain boundary diffusion is slightly anisotropic which is in agreement with an extrapolation of experimental results. A similar study in the volume reveals a migration energy higher than in the grain boundary. The calculated quantities allow for an estimation of the nickel diffusion acceleration due to the boundary. This acceleration is significant, but lower than the one measured by certain authors in polycrystalline, NiO; other authors studying bicrystals have not observed any certain authors in polycrystalline, NiO; other authors studying bicrystals have not observed any acceleration. (author) 118 refs.

Hydrodynamic boundary conditions for one-component liquid-gas flows on non-isothermal solid substrates

KAUST Repository

Xu, Xinpeng

2012-01-01

Recently, liquid-gas flows related to droplets, bubbles, and thin films on solid surfaces with thermal and wettability gradients have attracted widespread attention because of the many physical processes involved and their promising potential applications in biology, chemistry, and industry. Various new physical effects have been discovered at fluid-solid interfaces by experiments and molecular dynamics simulations, e.g., fluid velocity slip, temperature slip (Kapitza resistance), mechanical-thermal cross coupling, etc. There have been various models and theories proposed to explain these experimental and numerical observations. However, to the best of our knowledge,a continuum hydrodynamic model capable of predicting the temperature and velocity profiles of liquid-gas flows on non-isothermal, heterogeneous solid substrates is still absent. The purpose of this work is to construct a continuum model for simulating the liquid-gas flows on solid surfaces that are flat and rigid, and may involve wettability gradients and thermal gradients. This model is able to describe fluid velocity slip, temperature slip, and mechanical-thermal coupling that may occur at fluid-solid interfaces. For this purpose, we first employ the diffuse interface modeling to formulate the hydrodynamic equations for one-component liquid-gas flows in the bulk region. This reproduces the dynamic van der Waals theory of Onuki [Phys. Rev. Lett., 94: 054501, 2005]. We then extendWaldmann\\'s method [Z. Naturforsch. A, 22: 1269-1280, 1967] to formulate the boundary conditions at the fluid-solid interface that match the hydrodynamic equations in the bulk. The effects of the solid surface curvature are also briefly discussed in the appendix. The guiding principles of our model derivation are the conservation laws and the positive definiteness of entropy production together with the Onsager reciprocal relation. The derived model is self-consistent in the sense that the boundary conditions are

Analytical Solutions of Ionic Diffusion and Heat Conduction in Multilayered Porous Media

Directory of Open Access Journals (Sweden)

Yu Bai

2015-01-01

Full Text Available Ionic diffusion and heat conduction in a multiple layered porous medium have many important engineering applications. One of the examples is the chloride ions from deicers penetrating into concrete structures such as bridge decks. Different overlays can be placed on top of concrete surface to slowdown the chloride penetration. In this paper, the chloride ion diffusion equations were established for concrete structures with multiple layers of protective system. By using Laplace transformation, an analytical solution was developed first for chloride concentration profiles in two-layered system and then extended to multiple layered systems with nonconstant boundary conditions, including the constant boundary and linear boundary conditions. Because ionic diffusion in saturated media and heat conduction are governed by the same form of partial differential equations with different materials parameters, the analytical solution was further extended to handle heat conduction in a multiple layered system under nonconstant boundary conditions. The numerical results were compared with available test data. The basic trends of the analytical solution and the test data agreed quite well.

Canonical group quantization and boundary conditions

Energy Technology Data Exchange (ETDEWEB)

Jung, Florian

2012-07-16

In the present thesis, we study quantization of classical systems with non-trivial phase spaces using the group-theoretical quantization technique proposed by Isham. Our main goal is a better understanding of global and topological aspects of quantum theory. In practice, the group-theoretical approach enables direct quantization of systems subject to constraints and boundary conditions in a natural and physically transparent manner -- cases for which the canonical quantization method of Dirac fails. First, we provide a clarification of the quantization formalism. In contrast to prior treatments, we introduce a sharp distinction between the two group structures that are involved and explain their physical meaning. The benefit is a consistent and conceptually much clearer construction of the Canonical Group. In particular, we shed light upon the 'pathological' case for which the Canonical Group must be defined via a central Lie algebra extension and emphasise the role of the central extension in general. In addition, we study direct quantization of a particle restricted to a half-line with 'hard wall' boundary condition. Despite the apparent simplicity of this example, we show that a naive quantization attempt based on the cotangent bundle over the half-line as classical phase space leads to an incomplete quantum theory; the reflection which is a characteristic aspect of the 'hard wall' is not reproduced. Instead, we propose a different phase space that realises the necessary boundary condition as a topological feature and demonstrate that quantization yields a suitable quantum theory for the half-line model. The insights gained in the present special case improve our understanding of the relation between classical and quantum theory and illustrate how contact interactions may be incorporated.

pH gradients in the diffusive boundary layer of subarctic macrophytes

KAUST Repository

Hendriks, Iris E.; Duarte, Carlos M.; Marbà , Nú ria; Krause-Jensen, Dorte

2017-01-01

Highly productive macrophytes produce diurnal and seasonal cycles in CO concentrations modulated by metabolic activity, which cause discrepancies between pH in the bulk water and near seaweed blades, especially when entering the diffusion boundary layer (DBL). Calcifying epiphytic organisms living in this environment are therefore exposed to a different pH environment than that of the water column. To evaluate the actual pH environment on blade surfaces, we measured the thickness of the DBL and pH gradients within it for six subarctic macrophytes: Fucus vesiculosus, Ascophyllum nodosum, Ulva lactuca, Zostera marina, Saccharina longicruris, and Agarum clathratum. We measured pH under laboratory conditions at ambient temperatures (2–3 °C) and slow, stable flow over the blade surface at five light intensities (dark, 30, 50, 100 and 200 µmol photons m s). Boundary layer thickness ranged between 511 and 1632 µm, while the maximum difference in pH (∆pH) between the blade surface and the water column ranged between 0.4 ± 0.14 (average ± SE; Zostera) and 1.2 ± 0.13 (average ± SE; Ulva) pH units. These differences in pH are larger than predictions for pH changes in the bulk water by the end of the century. A simple quadratic model best described the relationship between light intensity and maximum ∆pH, pointing at relatively low optimum PAR of between 28 and 139 µmol photons m s to reach maximum ∆pH. Elevated pH at the blade surface may provide chemical “refugia” for calcifying epiphytic organisms, especially during summer at higher latitudes where photoperiods are long.

pH gradients in the diffusive boundary layer of subarctic macrophytes

KAUST Repository

Hendriks, Iris E.

2017-06-20

Highly productive macrophytes produce diurnal and seasonal cycles in CO concentrations modulated by metabolic activity, which cause discrepancies between pH in the bulk water and near seaweed blades, especially when entering the diffusion boundary layer (DBL). Calcifying epiphytic organisms living in this environment are therefore exposed to a different pH environment than that of the water column. To evaluate the actual pH environment on blade surfaces, we measured the thickness of the DBL and pH gradients within it for six subarctic macrophytes: Fucus vesiculosus, Ascophyllum nodosum, Ulva lactuca, Zostera marina, Saccharina longicruris, and Agarum clathratum. We measured pH under laboratory conditions at ambient temperatures (2–3 °C) and slow, stable flow over the blade surface at five light intensities (dark, 30, 50, 100 and 200 µmol photons m s). Boundary layer thickness ranged between 511 and 1632 µm, while the maximum difference in pH (∆pH) between the blade surface and the water column ranged between 0.4 ± 0.14 (average ± SE; Zostera) and 1.2 ± 0.13 (average ± SE; Ulva) pH units. These differences in pH are larger than predictions for pH changes in the bulk water by the end of the century. A simple quadratic model best described the relationship between light intensity and maximum ∆pH, pointing at relatively low optimum PAR of between 28 and 139 µmol photons m s to reach maximum ∆pH. Elevated pH at the blade surface may provide chemical “refugia” for calcifying epiphytic organisms, especially during summer at higher latitudes where photoperiods are long.

Lie and Q-Conditional Symmetries of Reaction-Diffusion-Convection Equations with Exponential Nonlinearities and Their Application for Finding Exact Solutions

Directory of Open Access Journals (Sweden)

Roman Cherniha

2018-04-01

Full Text Available This review is devoted to search for Lie and Q-conditional (nonclassical symmetries and exact solutions of a class of reaction-diffusion-convection equations with exponential nonlinearities. A complete Lie symmetry classification of the class is derived via two different algorithms in order to show that the result depends essentially on the type of equivalence transformations used for the classification. Moreover, a complete description of Q-conditional symmetries for PDEs from the class in question is also presented. It is shown that all the well-known results for reaction-diffusion equations with exponential nonlinearities follow as particular cases from the results derived for this class of reaction-diffusion-convection equations. The symmetries obtained for constructing exact solutions of the relevant equations are successfully applied. The exact solutions are compared with those found by means of different techniques. Finally, an application of the exact solutions for solving boundary-value problems arising in population dynamics is presented.

On two-point boundary correlations in the six-vertex model with domain wall boundary conditions

Science.gov (United States)

Colomo, F.; Pronko, A. G.

2005-05-01

The six-vertex model with domain wall boundary conditions on an N × N square lattice is considered. The two-point correlation function describing the probability of having two vertices in a given state at opposite (top and bottom) boundaries of the lattice is calculated. It is shown that this two-point boundary correlator is expressible in a very simple way in terms of the one-point boundary correlators of the model on N × N and (N - 1) × (N - 1) lattices. In alternating sign matrix (ASM) language this result implies that the doubly refined x-enumerations of ASMs are just appropriate combinations of the singly refined ones.

An effective absorbing layer for the boundary condition in acoustic seismic wave simulation

Science.gov (United States)

Yao, Gang; da Silva, Nuno V.; Wu, Di

2018-04-01

Efficient numerical simulation of seismic wavefields generally involves truncating the Earth model in order to keep computing time and memory requirements down. Absorbing boundary conditions, therefore, are applied to remove the boundary reflections caused by this truncation, thereby allowing for accurate modeling of wavefields. In this paper, we derive an effective absorbing boundary condition for both acoustic and elastic wave simulation, through the simplification of the damping term of the split perfectly matched layer (SPML) boundary condition. This new boundary condition is accurate, cost-effective, and easily implemented, especially for high-performance computing. Stability analysis shows that this boundary condition is effectively as stable as normal (non-absorbing) wave equations for explicit time-stepping finite differences. We found that for full-waveform inversion (FWI), the strengths of the effective absorbing layer—a reduction of the computational and memory cost coupled with a simplistic implementation—significantly outweighs the limitation of incomplete absorption of outgoing waves relative to the SPML. More importantly, we demonstrate that this limitation can easily be overcome through the use of two strategies in FWI, namely variable cell size and model extension thereby fully compensating for the imperfectness of the proposed absorbing boundary condition.

PIV measurements in a compact return diffuser under multi-conditions

Science.gov (United States)

Zhou, L.; Lu, W. G.; Shi, W. D.

2013-12-01

Due to the complex three-dimensional geometries of impellers and diffusers, their design is a delicate and difficult task. Slight change could lead to significant changes in hydraulic performance and internal flow structure. Conversely, the grasp of the pump's internal flow pattern could benefit from pump design improvement. The internal flow fields in a compact return diffuser have been investigated experimentally under multi-conditions. A special Particle Image Velocimetry (PIV) test rig is designed, and the two-dimensional PIV measurements are successfully conducted in the diffuser mid-plane to capture the complex flow patterns. The analysis of the obtained results has been focused on the flow structure in diffuser, especially under part-load conditions. The vortex and recirculation flow patterns in diffuser are captured and analysed accordingly. Strong flow separation and back flow appeared at the part-load flow rates. Under the design and over-load conditions, the flow fields in diffuser are uniform, and the flow separation and back flow appear at the part-load flow rates, strong back flow is captured at one diffuser passage under 0.2Qdes.

Single particle nonlocality, geometric phases and time-dependent boundary conditions

Science.gov (United States)

Matzkin, A.

2018-03-01

We investigate the issue of single particle nonlocality in a quantum system subjected to time-dependent boundary conditions. We discuss earlier claims according to which the quantum state of a particle remaining localized at the center of an infinite well with moving walls would be specifically modified by the change in boundary conditions due to the wall’s motion. We first prove that the evolution of an initially localized Gaussian state is not affected nonlocally by a linearly moving wall: as long as the quantum state has negligible amplitude near the wall, the boundary motion has no effect. This result is further extended to related confined time-dependent oscillators in which the boundary’s motion is known to give rise to geometric phases: for a Gaussian state remaining localized far from the boundaries, the effect of the geometric phases is washed out and the particle dynamics shows no traces of a nonlocal influence that would be induced by the moving boundaries.

Preconditioned characteristic boundary conditions based on artificial compressibility method for solution of incompressible flows

Science.gov (United States)

Hejranfar, Kazem; Parseh, Kaveh

2017-09-01

The preconditioned characteristic boundary conditions based on the artificial compressibility (AC) method are implemented at artificial boundaries for the solution of two- and three-dimensional incompressible viscous flows in the generalized curvilinear coordinates. The compatibility equations and the corresponding characteristic variables (or the Riemann invariants) are mathematically derived and then applied as suitable boundary conditions in a high-order accurate incompressible flow solver. The spatial discretization of the resulting system of equations is carried out by the fourth-order compact finite-difference (FD) scheme. In the preconditioning applied here, the value of AC parameter in the flow field and also at the far-field boundary is automatically calculated based on the local flow conditions to enhance the robustness and performance of the solution algorithm. The code is fully parallelized using the Concurrency Runtime standard and Parallel Patterns Library (PPL) and its performance on a multi-core CPU is analyzed. The incompressible viscous flows around a 2-D circular cylinder, a 2-D NACA0012 airfoil and also a 3-D wavy cylinder are simulated and the accuracy and performance of the preconditioned characteristic boundary conditions applied at the far-field boundaries are evaluated in comparison to the simplified boundary conditions and the non-preconditioned characteristic boundary conditions. It is indicated that the preconditioned characteristic boundary conditions considerably improve the convergence rate of the solution of incompressible flows compared to the other boundary conditions and the computational costs are significantly decreased.

WWER radial reflector modeling by diffusion codes

International Nuclear Information System (INIS)

Petkov, P. T.; Mittag, S.

2005-01-01

The two commonly used approaches to describe the WWER radial reflectors in diffusion codes, by albedo on the core-reflector boundary and by a ring of diffusive assembly size nodes, are discussed. The advantages and disadvantages of the first approach are presented first, then the Koebke's equivalence theory is outlined and its implementation for the WWER radial reflectors is discussed. Results for the WWER-1000 reactor are presented. Then the boundary conditions on the outer reflector boundary are discussed. The possibility to divide the library into fuel assembly and reflector parts and to generate each library by a separate code package is discussed. Finally, the homogenization errors for rodded assemblies are presented and discussed (Author)

Second order bounce back boundary condition for the lattice Boltzmann fluid simulation

International Nuclear Information System (INIS)

Kim, In Chan

2000-01-01

A new bounce back boundary method of the second order in error is proposed for the lattice Boltzmann fluid simulation. This new method can be used for the arbitrarily irregular lattice geometry of a non-slip boundary. The traditional bounce back boundary condition for the lattice Boltzmann simulation is of the first order in error. Since the lattice Boltzmann method is the second order scheme by itself, a boundary technique of the second order has been desired to replace the first order bounce back method. This study shows that, contrary to the common belief that the bounce back boundary condition is unilaterally of the first order, the second order bounce back boundary condition can be realized. This study also shows that there exists a generalized bounce back technique that can be characterized by a single interpolation parameter. The second order bounce back method can be obtained by proper selection of this parameter in accordance with the detailed lattice geometry of the boundary. For an illustrative purpose, the transient Couette and the plane Poiseuille flows are solved by the lattice Boltzmann simulation with various boundary conditions. The results show that the generalized bounce back method yields the second order behavior in the error of the solution, provided that the interpolation parameter is properly selected. Coupled with its intuitive nature and the ease of implementation, the bounce back method can be as good as any second order boundary method

Vibration Analysis of Annular Sector Plates under Different Boundary Conditions

Directory of Open Access Journals (Sweden)

Dongyan Shi

2014-01-01

Full Text Available An analytical framework is developed for the vibration analysis of annular sector plates with general elastic restraints along each edge of plates. Regardless of boundary conditions, the displacement solution is invariably expressed as a new form of trigonometric expansion with accelerated convergence. The expansion coefficients are treated as the generalized coordinates and determined using the Rayleigh-Ritz technique. This work allows a capability of modeling annular sector plates under a variety of boundary conditions and changing the boundary conditions as easily as modifying the material properties or dimensions of the plates. Of equal importance, the proposed approach is universally applicable to annular sector plates of any inclusion angles up to 2π. The reliability and accuracy of the current method are adequately validated through numerical examples.

Molecular dynamics simulations of self-diffusion near a symmetrical tilt grain boundary in UO{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Vincent-Aublant, E.; Delaye, J.M. [CEA-Marcoule, DEN/DTCD/SECM, B.P. 17171, 30207 Bagnols sur Ceze cedex (France); Van Brutzel, L. [CEA-Saclay, DEN-DANS/DPC/SCP/LM2T, 91191 Gif-sur-Yvette (France)

2008-07-01

Molecular dynamics (MD) simulations have been used to study the influence of symmetrical tilt grain boundaries (GBs) in stoichiometric UO{sub 2} on uranium and oxygen self-diffusions. The study was performed on a large range of temperature varying from 300 K to 2100 K. First, the effect of the temperature on the structure and the formation energies of 6 relaxed tilt GBs was investigated. The {sigma}5 and {sigma}41 GBs geometries were chosen to study the diffusion. O and U diffusion coefficients have been calculated and compared to those obtained in a perfect stoichiometric UO{sub 2} as well as in over and under-stoichiometric matrices. (authors)

Decoupling in an expanding universe boundary RG-flow affects initial conditions for inflation

CERN Document Server

Schalm, K; Van der Schaar, J P; Schalm, Koenraad; Shiu, Gary; Schaar, Jan Pieter van der

2004-01-01

We study decoupling in FRW spacetimes, emphasizing a Lagrangian description throughout. To account for the vacuum choice ambiguity in cosmological settings, we introduce an arbitrary boundary action representing the initial conditions. RG flow in these spacetimes naturally affects the boundary interactions. As a consequence the boundary conditions are sensitive to high-energy physics through irrelevant terms in the boundary action. Using scalar field theory as an example, we derive the leading dimension four irrelevant boundary operators. We discuss how the known vacuum choices, e.g. the Bunch-Davies vacuum, appear in the Lagrangian description and square with decoupling. For all choices of boundary conditions encoded by relevant boundary operators, of which the known ones are a subset, backreaction is under control. All, moreover, will generically feel the influence of high-energy physics through irrelevant (dimension four) boundary corrections. Having established a coherent effective field theory framework ...

δ'-function perturbations and Neumann boundary-conditions by path integration

International Nuclear Information System (INIS)

Grosche, C.

1994-02-01

δ'-function perturbations and Neumann boundary conditions are incorporated into the path integral formalism. The starting point is the consideration of the path integral representation for the one dimensional Dirac particle together with a relativistic point interaction. The non-relativistic limit yields either a usual δ-function or a δ'-function perturbation; making their strengths infinitely repulsive one obtains Dirichlet, respectively Neumann boundary conditions in the path integral. (orig.)

Diffusing diffusivity: a new derivation and comparison with simulations

Indian Academy of Sciences (India)

Rohit Jain

active media, where the relation of Eq.(1) is not valid at all times.4–6 ... tional diffusion of dumbbells in 2D porous media of stationary hard ..... reflecting boundary condition at D = 0, i.e., πeq(D) = 1. D0 .... Superdiffusion and viscoelastic vortex flows in a two- .... gator for Free, Linear, and Harmonic Potentials in the. Over- and ...

Matrix albedo for discrete ordinates infinite-medium boundary condition

International Nuclear Information System (INIS)

Mathews, K.; Dishaw, J.

2007-01-01

Discrete ordinates problems with an infinite exterior medium (reflector) can be more efficiently computed by eliminating grid cells in the exterior medium and applying a matrix albedo boundary condition. The albedo matrix is a discretized bidirectional reflection distribution function (BRDF) that accounts for the angular quadrature set, spatial quadrature method, and spatial grid that would have been used to model a portion of the exterior medium. The method is exact in slab geometry, and could be used as an approximation in multiple dimensions or curvilinear coordinates. We present an adequate method for computing albedo matrices and demonstrate their use in verifying a discrete ordinates code in slab geometry by comparison with Ganapol's infinite medium semi-analytic TIEL benchmark. With sufficient resolution in the spatial and angular grids and iteration tolerance to yield solutions converged to 6 digits, the conventional (scalar) albedo boundary condition yielded 2-digit accuracy at the boundary, but the matrix albedo solution reproduced the benchmark scalar flux at the boundary to all 6 digits. (authors)

Modification of the Riemann problem and the application for the boundary conditions in computational fluid dynamics

Directory of Open Access Journals (Sweden)

Kyncl Martin

2017-01-01

Full Text Available We work with the system of partial differential equations describing the non-stationary compressible turbulent fluid flow. It is a characteristic feature of the hyperbolic equations, that there is a possible raise of discontinuities in solutions, even in the case when the initial conditions are smooth. The fundamental problem in this area is the solution of the so-called Riemann problem for the split Euler equations. It is the elementary problem of the one-dimensional conservation laws with the given initial conditions (LIC - left-hand side, and RIC - right-hand side. The solution of this problem is required in many numerical methods dealing with the 2D/3D fluid flow. The exact (entropy weak solution of this hyperbolical problem cannot be expressed in a closed form, and has to be computed by an iterative process (to given accuracy, therefore various approximations of this solution are being used. The complicated Riemann problem has to be further modified at the close vicinity of boundary, where the LIC is given, while the RIC is not known. Usually, this boundary problem is being linearized, or roughly approximated. The inaccuracies implied by these simplifications may be small, but these have a huge impact on the solution in the whole studied area, especially for the non-stationary flow. Using the thorough analysis of the Riemann problem we show, that the RIC for the local problem can be partially replaced by the suitable complementary conditions. We suggest such complementary conditions accordingly to the desired preference. This way it is possible to construct the boundary conditions by the preference of total values, by preference of pressure, velocity, mass flow, temperature. Further, using the suitable complementary conditions, it is possible to simulate the flow in the vicinity of the diffusible barrier. On the contrary to the initial-value Riemann problem, the solution of such modified problems can be written in the closed form for some

The influence of boundary conditions on domain structure stability in spin wave approximation

International Nuclear Information System (INIS)

Wachinewski, A.

1974-01-01

Instead of the usually used Born-Karman cyclic conditions, boundary conditions which take into account the situation of the boundary lattice sites lying on the crystal's surface are assumed. It is shown that the particular choice of the boundary conditions secures the stability of domain structure in ferromagnet (positive spin wave energies), without including the Winter term in Hamiltonian. (author)

A Numerical Handling of the Boundary Conditions Imposed by the Skull on an Inhomogeneous Diffusion-Reaction Model of Glioblastoma Invasion Into the Brain: Clinical Validation Aspects

Directory of Open Access Journals (Sweden)

Georgios S Stamatakos

2017-01-01

Full Text Available A novel explicit triscale reaction-diffusion numerical model of glioblastoma multiforme tumor growth is presented. The model incorporates the handling of Neumann boundary conditions imposed by the cranium and takes into account both the inhomogeneous nature of human brain and the complexity of the skull geometry. The finite-difference time-domain method is adopted. To demonstrate the workflow of a possible clinical validation procedure, a clinical case/scenario is addressed. A good agreement of the in silico calculated value of the doubling time (ie, the time for tumor volume to double with the value of the same quantity based on tomographic imaging data has been observed. A theoretical exploration suggests that a rough but still quite informative value of the doubling time may be calculated based on a homogeneous brain model. The model could serve as the main component of a continuous mathematics-based glioblastoma oncosimulator aiming at supporting the clinician in the optimal patient-individualized design of treatment using the patient’s multiscale data and experimenting in silico (ie, on the computer.

Magnetohydrodynamic boundary layer flow past a porous substrate with Beavers-Joseph boundary condition

International Nuclear Information System (INIS)

Jat, R.N.; Chaudhary, Santosh

2009-01-01

The flow of an electrically conducting fluid past a porous substrate attached to the flat plate with Beavers-Joseph boundary condition under the influence of a uniform transverse magnetic field has been studied. Taking suitable similar variables, the momentum equation is transformed to ordinary differential equation and solved by standard techniques. The energy equation is solved by considering two boundary layers, one in the porous substrate and the other above the porous substrate. The velocity and temperature distributions along with Nusselt number are discussed numerically and presented through graphs. (author)

The exact solution to the one-dimensional Poisson–Boltzmann equation with asymmetric boundary conditions

DEFF Research Database (Denmark)

Johannessen, Kim

2014-01-01

The exact solution to the one-dimensional Poisson–Boltzmann equation with asymmetric boundary conditions can be expressed in terms of the Jacobi elliptic functions. The boundary conditions determine the modulus of the Jacobi elliptic functions. The boundary conditions can not be solved analytically...

PIV measurements in a compact return diffuser under multi-conditions

International Nuclear Information System (INIS)

Zhou, L; Lu, W G; Shi, W D

2013-01-01

Due to the complex three-dimensional geometries of impellers and diffusers, their design is a delicate and difficult task. Slight change could lead to significant changes in hydraulic performance and internal flow structure. Conversely, the grasp of the pump's internal flow pattern could benefit from pump design improvement. The internal flow fields in a compact return diffuser have been investigated experimentally under multi-conditions. A special Particle Image Velocimetry (PIV) test rig is designed, and the two-dimensional PIV measurements are successfully conducted in the diffuser mid-plane to capture the complex flow patterns. The analysis of the obtained results has been focused on the flow structure in diffuser, especially under part-load conditions. The vortex and recirculation flow patterns in diffuser are captured and analysed accordingly. Strong flow separation and back flow appeared at the part-load flow rates. Under the design and over-load conditions, the flow fields in diffuser are uniform, and the flow separation and back flow appear at the part-load flow rates, strong back flow is captured at one diffuser passage under 0.2Q des

Effects of boundary conditions on thermomechanical calculations: Spent fuel test - climax

International Nuclear Information System (INIS)

Butkovich, T.R.

1982-10-01

The effects of varying certain boundary conditions on the results of finite-element calculations were studied in relation to the Spent Fuel Test - Climax. The study employed a thermomechanical model with the ADINA structural analysis. Nodal temperature histories were generated with the compatible ADINAT heat flow codes. The boundary conditions studied included: (1) The effect of boundary loading on three progressively larger meshes. (2) Plane strain vs plane stress conditions. (3) The effect of isothermal boundaries on a small mesh and on a significantly larger mesh. The results showed that different mesh sizes had an insignificant effect on isothermal boundaries up to 5 y, while on the smallest and largest mesh, the maximum temperature difference in the mesh was 0 C. In the corresponding ADINA calculation, these different mesh sizes produce insignificant changes in the stress field and displacements in the region of interest near the heat sources and excavations. On the other hand, plane stress produces horizontal and vertical stress differences approx. 9% higher than does plane strain

Influence of different boundary conditions on analysis of SSI

International Nuclear Information System (INIS)

Wang Jiachun

2005-01-01

In the discussions of structural response to earthquakes, it has been assumed that the foundation medium is very stiff and that the seismic motions applied at the structure support points are the same as the free-field earthquake motions at those locations; in other words, the effects of soil structure interaction (SSI) have been neglected. However, its effects can be significant when the structure supported on a soft soil. Structures on the ground are affected by ground motion when there is seismic loading. The inability of the foundation to resist to deformation of soil would cause huge damages on the structures. The different codes and boundary conditions affect on analysis results of SSI. A comparison of the reactor buildings response as predicted by CLASSI and FLUSH shows substantial differences. To absorb, rather than reflect, the outwardly radiated energy, transmitting boundary conditions and soil structure interface should be taken into consideration in analysis of SSI. The paper discusses influence of several different boundary conditions on analysis of SSI. (author)

A high-order boundary integral method for surface diffusions on elastically stressed axisymmetric rods.

Science.gov (United States)

Li, Xiaofan; Nie, Qing

2009-07-01

Many applications in materials involve surface diffusion of elastically stressed solids. Study of singularity formation and long-time behavior of such solid surfaces requires accurate simulations in both space and time. Here we present a high-order boundary integral method for an elastically stressed solid with axi-symmetry due to surface diffusions. In this method, the boundary integrals for isotropic elasticity in axi-symmetric geometry are approximated through modified alternating quadratures along with an extrapolation technique, leading to an arbitrarily high-order quadrature; in addition, a high-order (temporal) integration factor method, based on explicit representation of the mean curvature, is used to reduce the stability constraint on time-step. To apply this method to a periodic (in axial direction) and axi-symmetric elastically stressed cylinder, we also present a fast and accurate summation method for the periodic Green's functions of isotropic elasticity. Using the high-order boundary integral method, we demonstrate that in absence of elasticity the cylinder surface pinches in finite time at the axis of the symmetry and the universal cone angle of the pinching is found to be consistent with the previous studies based on a self-similar assumption. In the presence of elastic stress, we show that a finite time, geometrical singularity occurs well before the cylindrical solid collapses onto the axis of symmetry, and the angle of the corner singularity on the cylinder surface is also estimated.

Numerical Treatment of Degenerate Diffusion Equations via Feller's Boundary Classification, and Applications

Science.gov (United States)

Cacio, Emanuela; Cohn, Stephen E.; Spigler, Renato

2011-01-01

A numerical method is devised to solve a class of linear boundary-value problems for one-dimensional parabolic equations degenerate at the boundaries. Feller theory, which classifies the nature of the boundary points, is used to decide whether boundary conditions are needed to ensure uniqueness, and, if so, which ones they are. The algorithm is based on a suitable preconditioned implicit finite-difference scheme, grid, and treatment of the boundary data. Second-order accuracy, unconditional stability, and unconditional convergence of solutions of the finite-difference scheme to a constant as the time-step index tends to infinity are further properties of the method. Several examples, pertaining to financial mathematics, physics, and genetics, are presented for the purpose of illustration.

On Impulsive Boundary Value Problems of Fractional Differential Equations with Irregular Boundary Conditions

Directory of Open Access Journals (Sweden)

Guotao Wang

2012-01-01

Full Text Available We study nonlinear impulsive differential equations of fractional order with irregular boundary conditions. Some existence and uniqueness results are obtained by applying standard fixed-point theorems. For illustration of the results, some examples are discussed.

Determination of uranium self-diffusion coefficients in the U O2 nuclear fuel by secondary ion mass spectrometry

International Nuclear Information System (INIS)

Ferraz, Wilmar Barbosa

1998-01-01

This study of uranium self-diffusion in UO 2 presents a great technological interest because its knowledge is necessary to interpret the mechanism of many important processes like, for example, sintering, creep, grain growth, in-reactor densification and others. The present work deals with new measurements of uranium diffusion in UO 2 single crystals and polycrystals through an original mythology based on the utilization of 235 U as tracer and depth profiling by secondary ions mass spectrometry (SIMS). The diffusion experiments were performed between 1498 and 1697 deg C, in H 2 atmosphere. In our experimental conditions, the uranium volume diffusion coefficients measured in UO 2 single crystals can be described by the following Arrhenius relation: D(cm 2 /s) = 8.54x10 -7 exp[-4.4(eV)/K T]. The uranium grain-boundary diffusion experiments performed in UO 2 polycrystals corresponded to the type-B diffusion. In this case, it was possible to determine the product D'δ, where D is the grain-boundary diffusion and is the width of the grain-boundary. In our experimental conditions, the product D'δ can be described by the following relation: D'δ (cm 3 /s) = 1.62x10 -5 exp[-5.6(eV)/K T]. These results that the uranium volume diffusion coefficients, measured in UO 2 single crystals, are 5 orders of magnitude lower than the uranium grain boundary diffusion coefficients measured in UO 2 polycrystalline pellets, in the same experimental conditions. This large difference between these two types of diffusivities indicates that the grain boundary is a preferential via for uranium diffusion in UO 2 polycrystalline pellet. (author)

Entropy Stable Wall Boundary Conditions for the Three-Dimensional Compressible Navier-Stokes Equations

Science.gov (United States)

Parsani, Matteo; Carpenter, Mark H.; Nielsen, Eric J.

2015-01-01

Non-linear entropy stability and a summation-by-parts framework are used to derive entropy stable wall boundary conditions for the three-dimensional compressible Navier-Stokes equations. A semi-discrete entropy estimate for the entire domain is achieved when the new boundary conditions are coupled with an entropy stable discrete interior operator. The data at the boundary are weakly imposed using a penalty flux approach and a simultaneous-approximation-term penalty technique. Although discontinuous spectral collocation operators on unstructured grids are used herein for the purpose of demonstrating their robustness and efficacy, the new boundary conditions are compatible with any diagonal norm summation-by-parts spatial operator, including finite element, finite difference, finite volume, discontinuous Galerkin, and flux reconstruction/correction procedure via reconstruction schemes. The proposed boundary treatment is tested for three-dimensional subsonic and supersonic flows. The numerical computations corroborate the non-linear stability (entropy stability) and accuracy of the boundary conditions.

An outgoing energy flux boundary condition for finite difference ICRP antenna models

International Nuclear Information System (INIS)

Batchelor, D.B.; Carter, M.D.

1992-11-01

For antennas at the ion cyclotron range of frequencies (ICRF) modeling in vacuum can now be carried out to a high level of detail such that shaping of the current straps, isolating septa, and discrete Faraday shield structures can be included. An efficient approach would be to solve for the fields in the vacuum region near the antenna in three dimensions by finite methods and to match this solution at the plasma-vacuum interface to a solution obtained in the plasma region in one dimension by Fourier methods. This approach has been difficult to carry out because boundary conditions must be imposed at the edge of the finite difference grid on a point-by-point basis, whereas the condition for outgoing energy flux into the plasma is known only in terms of the Fourier transform of the plasma fields. A technique is presented by which a boundary condition can be imposed on the computational grid of a three-dimensional finite difference, or finite element, code by constraining the discrete Fourier transform of the fields at the boundary points to satisfy an outgoing energy flux condition appropriate for the plasma. The boundary condition at a specific grid point appears as a coupling to other grid points on the boundary, with weighting determined by a kemel calctdated from the plasma surface impedance matrix for the various plasma Fourier modes. This boundary condition has been implemented in a finite difference solution of a simple problem in two dimensions, which can also be solved directly by Fourier transformation. Results are presented, and it is shown that the proposed boundary condition does enforce outgoing energy flux and yields the same solution as is obtained by Fourier methods

Effects of Uncertainties in Electric Field Boundary Conditions for Ring Current Simulations

Science.gov (United States)

Chen, Margaret W.; O'Brien, T. Paul; Lemon, Colby L.; Guild, Timothy B.

2018-01-01

Physics-based simulation results can vary widely depending on the applied boundary conditions. As a first step toward assessing the effect of boundary conditions on ring current simulations, we analyze the uncertainty of cross-polar cap potentials (CPCP) on electric field boundary conditions applied to the Rice Convection Model-Equilibrium (RCM-E). The empirical Weimer model of CPCP is chosen as the reference model and Defense Meteorological Satellite Program CPCP measurements as the reference data. Using temporal correlations from a statistical analysis of the "errors" between the reference model and data, we construct a Monte Carlo CPCP discrete time series model that can be generalized to other model boundary conditions. RCM-E simulations using electric field boundary conditions from the reference model and from 20 randomly generated Monte Carlo discrete time series of CPCP are performed for two large storms. During the 10 August 2000 storm main phase, the proton density at 10 RE at midnight was observed to be low (Dst index is bounded by the simulated Dst values. In contrast, the simulated Dst values during the recovery phases of the 10 August 2000 and 31 August 2005 storms tend to underestimate systematically the observed late Dst recovery. This suggests a need to improve the accuracy of particle loss calculations in the RCM-E model. Application of this technique can aid modelers to make efficient choices on either investing more effort on improving specification of boundary conditions or on improving descriptions of physical processes.

Three-party quantum teleportation using thermal states in Heisenberg XX model with open boundary condition

International Nuclear Information System (INIS)

Bhan, Jaemi; Kwon, Younghun

2007-01-01

Recently Yeo showed that thermal states in Heisenberg XX model with periodic boundary condition could be used for three-party quantum teleportation. However it is hard to implement the periodic boundary condition in spin chain. So instead of imposing the periodic boundary condition, we consider open boundary condition in Heisenberg XX model and investigate the possibility of using thermal states in Heisenberg XX model with open boundary condition. Using this way, we find the best fidelity conditions to three known protocols in three-party quantum teleportation. It turns out that the best fidelity in every protocol would be 23

New boundary conditions for 3D RF modelling

International Nuclear Information System (INIS)

Ko, K.; Nelson, E.; Fitze, H.

1990-01-01

The new capabilities are being implemented into the 3D particle-in-cell code, ARGUS, which will reduce substantially both problem size and computing time when modeling realistic geometries with high accuracies. In the time domain, a cylindrical radiative boundary condition will enable traveling wave propagation to be simulated in accelerator structures. An application of interest is the input coupler in the SLAC x-band high-gradient structure where local field gradients and impedance matching are important issues. In the frequency domain, a quasi-periodic boundary condition will facilitate the cold-test analysis of 3D periodic structures where many calculations are required to generate an ω β diagram. Present applications include the crossed-field amplifier cavity and the cluster klystron cavity

Antishocks in the ASEP with open boundaries conditioned on low current

International Nuclear Information System (INIS)

Belitsky, V; Schütz, G M

2013-01-01

We study the time evolution of the ASEP on a finite lattice with L sites and open boundaries, conditioned on an atypically low current up to a finite time t. By an exact computation, we show that for a one-parameter family of boundary densities and a special value of the conditioned current, an initial product measure with an antishock at site k evolves into a convex combination of such antishocks at sites k′. The weights p(k′, t|k, 0) are shown to be the transition probabilities of simple biased random walk with reflecting boundaries. We compute explicitly these transition rates. Our result implies that the antishock remains microscopically stable under the locally conditioned dynamics. (paper)

On the wave equation with semilinear porous acoustic boundary conditions

KAUST Repository

Graber, Philip Jameson; Said-Houari, Belkacem

2012-01-01

The goal of this work is to study a model of the wave equation with semilinear porous acoustic boundary conditions with nonlinear boundary/interior sources and a nonlinear boundary/interior damping. First, applying the nonlinear semigroup theory, we show the existence and uniqueness of local in time solutions. The main difficulty in proving the local existence result is that the Neumann boundary conditions experience loss of regularity due to boundary sources. Using an approximation method involving truncated sources and adapting the ideas in Lasiecka and Tataru (1993) [28], we show that the existence of solutions can still be obtained. Second, we prove that under some restrictions on the source terms, then the local solution can be extended to be global in time. In addition, it has been shown that the decay rates of the solution are given implicitly as solutions to a first order ODE and depends on the behavior of the damping terms. In several situations, the obtained ODE can be easily solved and the decay rates can be given explicitly. Third, we show that under some restrictions on the initial data and if the interior source dominates the interior damping term and if the boundary source dominates the boundary damping, then the solution ceases to exists and blows up in finite time. Moreover, in either the absence of the interior source or the boundary source, then we prove that the solution is unbounded and grows as an exponential function. © 2012 Elsevier Inc.

On the wave equation with semilinear porous acoustic boundary conditions

KAUST Repository

Graber, Philip Jameson

2012-05-01

The goal of this work is to study a model of the wave equation with semilinear porous acoustic boundary conditions with nonlinear boundary/interior sources and a nonlinear boundary/interior damping. First, applying the nonlinear semigroup theory, we show the existence and uniqueness of local in time solutions. The main difficulty in proving the local existence result is that the Neumann boundary conditions experience loss of regularity due to boundary sources. Using an approximation method involving truncated sources and adapting the ideas in Lasiecka and Tataru (1993) [28], we show that the existence of solutions can still be obtained. Second, we prove that under some restrictions on the source terms, then the local solution can be extended to be global in time. In addition, it has been shown that the decay rates of the solution are given implicitly as solutions to a first order ODE and depends on the behavior of the damping terms. In several situations, the obtained ODE can be easily solved and the decay rates can be given explicitly. Third, we show that under some restrictions on the initial data and if the interior source dominates the interior damping term and if the boundary source dominates the boundary damping, then the solution ceases to exists and blows up in finite time. Moreover, in either the absence of the interior source or the boundary source, then we prove that the solution is unbounded and grows as an exponential function. © 2012 Elsevier Inc.

DCXE, Time-Dependent Xe Diffusion in Non-Multiplying Slab

International Nuclear Information System (INIS)

Horikami, K.; Kawasaki, S.

1969-01-01

1 - Nature of physical problem solved: Programme DCXE was designed for the analysis of the diffusion phenomena of xenon in non-multiplying media (slab geometry) and solves the Fick's second diffusion equation with boundary conditions. Initial distribution of xenon in the media at time 0 and 0 value of distribution at both ends of media at any positive time. 2 - Method of solution: Difference approximation is used to solve Fick's second diffusion equation. Strict stability condition is chosen between time and spatial intervals

DCXE, Time-Dependent Xe Diffusion in Non-Multiplying Slab

Energy Technology Data Exchange (ETDEWEB)

Horikami, K; Kawasaki, S [Japan Atomic Energy Research Institute, Tokai, Ibaraki (Japan)

1969-01-01

1 - Nature of physical problem solved: Programme DCXE was designed for the analysis of the diffusion phenomena of xenon in non-multiplying media (slab geometry) and solves the Fick's second diffusion equation with boundary conditions. Initial distribution of xenon in the media at time 0 and 0 value of distribution at both ends of media at any positive time. 2 - Method of solution: Difference approximation is used to solve Fick's second diffusion equation. Strict stability condition is chosen between time and spatial intervals.

Diffusion of Drag-Reducing Polymers within a High-Reynolds-Number, Rough-Wall Turbulent Boundary Layer

Science.gov (United States)

Elbing, Brian; Perlin, Marc; Dowling, David; Solomon, Michael; Ceccio, Steven

2008-11-01

Two experiments were conducted to investigate polymer drag reduction (PDR) within high Reynolds number (to 200 million based on downstream distance), rough-wall turbulent boundary layers. The first experiment was conducted at the U.S. Navy's Large Cavitation Channel on a 12.9 m long flat-plate at speeds to 20 m/s with the surface hydraulically smooth and fully rough. Local skin-friction measurements on the smooth and rough surfaces had maximum PDR levels of 65 and 75 percent, respectively. However, PDR decreased with increasing downstream distance and flow speed more rapidly on the rough surface, and at the top speed no measureable level of PDR was observed. The roughness-induced increased diffusion was quantified with near-wall concentration measurements and the second experiment, which measured concentration profiles on a 0.94 m long flat-plate with three surface conditions: smooth, 240-grit, and 60-grit sandpaper. The increased diffusion does not fully explain the smooth-rough PDR differences observed in the first experiment. Rheological analysis of drawn samples from the first experiment indicates that polymer degradation (chain scission) could be responsible for the remaining loss of rough-wall PDR. These results have implications for the cost effectiveness of PDR for surface ships.

''Free-space'' boundary conditions for the time-dependent wave equation

International Nuclear Information System (INIS)

Lindman, E.L.

1975-01-01

Boundary conditions for the discrete wave equation which act like an infinite region of free space in contact with the computational region can be constructed using projection operators. Propagating and evanescent waves coming from within the computational region generate no reflected waves as they cross the boundary. At the same time arbitrary waves may be launched into the computational region. Well known projection operators for one-dimensional waves may be used for this purpose in one dimension. Extensions of these operators to higher dimensions along with numerically efficient approximations to them are described for higher-dimensional problems. The separation of waves into ingoing and outgoing waves inherent in these boundary conditions greatly facilitates diagnostics

An Irrotational Flow Field That Approximates Flat Plate Boundary Conditions

OpenAIRE

Ruffa, Anthony A.

2004-01-01

An irrotational solution is derived for the steady-state Navier-Stokes equations that approximately satisfies the boundary conditions for flow over a finite flat plate. The nature of the flow differs substantially from boundary layer flow, with severe numerical difficulties in some regions.

Schrödinger functional boundary conditions and improvement for N > 3

DEFF Research Database (Denmark)

Hietanen, A.; Karavirta, T.; Vilaseca, P.

2014-01-01

The standard method to calculate non-perturbatively the evolution of the running coupling of a SU(N ) gauge theory is based on the Schrodinger functional (SF). In this paper we construct a family of boundary fields for general values of N which enter the standard definition of the SF coupling. We...... provide spatial boundary conditions for fermions in several representations which reduce the condition number of the squared Dirac operator. In addition, we calculate the improvement coefficients for N > 3 needed to remove boundary cutoff effects from the gauge action. After this, residual cutoff effects...

Theory of superplastic flow in two-phase materials: roles of interphase-boundary dislocations, ledges, and diffusion

International Nuclear Information System (INIS)

Gittus, J.H.

1977-01-01

A new theory is developed to explain superplastic flow in two-phase materials. It is postulated that boundary-dislocations, piled up in dislocation-Interphase-Boundaries (IPBs) climb away into disordered regions of the IPB. Sliding then occurs at an IPB as dislocations glide toward the head of the pile up to replace those which have climbed into disordered regions of the boundary. An energy barrier which would otherwise render sliding virtually impossible on dislocation-IPBs can, it is shown, be largely eliminated if the dislocations glide in pairs. The disorder (actually an antiphase domain boundary) which is created by the passage of the leading dislocation is then repaired by passage of its successor. The threshold stress for superplastic flow is provisionally identified with the stress which pins IPB dislocations to boundary ledges. The activation energy is theoretically that for IPB diffusion. Good agreement is obtained between the theoretical equation for superplastic flow and the results of published experiments

Solution to random differential equations with boundary conditions

Directory of Open Access Journals (Sweden)

Fairouz Tchier

2017-04-01

Full Text Available We study a family of random differential equations with boundary conditions. Using a random fixed point theorem, we prove an existence theorem that yields a unique random solution.

Casimir energy in d-dimensional rectangular geometries, under mixed boundary conditions

International Nuclear Information System (INIS)

Silva, J.C. da; Placido, Hebe Q.; Santana, A.E.; M Neto, Arthur

1997-01-01

The Casimir energy and its temperature corrections are presented for the electromagnetic field confined in a d-dimensional hypercavity. The expressions are derived considering Dirichlet boundary conditions for each pair of hyperplanes defining a confined direction (the homogeneous case); or yet, by choosing different boundary conditions (Dirichlet or Neumann) at each hyperplane of the pair (the mixed case). (author)

Bosonization relations as bag boundary conditions

International Nuclear Information System (INIS)

Nadkarni, S.; Nielsen, H.B.; Zahed, I.

1984-10-01

The more sophisticated bag models of hadrons become, the less precisely they seem to determine the bag radius. Idealizing this situation leads to the concept of exact bag models - ''Cheshire Cat'' models, CCM'S - where the physics is completely insensitive to changes in the bag radius. CCM's are constructed explitly in 1+1-dimensions, where exact bosonization relations are known. In the formalism of bag models, these relations appear as boundary conditions which ensure that the shifting of the bag wall has no physical effect. Other notable features of 1+1-dimensional CCM's are: (i) Fermion number, though classically confined, can escape the bag via a vector current anomaly at the surface. (ii) Essentially the same boundary action works for a variety of models and its symmetries determine those of the external boson fields. Remarkably enough, this 1+1-dimensional boundary action has precisely the same form as the one used in 3+1-dimensional chiral bag models, lending support to the belief that the latter are indeed approximateCCM's. These 1+1-dimensional results are expected to provide useful guidelines in the attempt to, at least approximately, besonize 3+1-dimensional QCD. (orig.)

Areal-averaged trace gas emission rates from long-range open-path measurements in stable boundary layer conditions

Directory of Open Access Journals (Sweden)

K. Schäfer

2012-07-01

Full Text Available Measurements of land-surface emission rates of greenhouse and other gases at large spatial scales (10 000 m² are needed to assess the spatial distribution of emissions. This can be readily done using spatial-integrating micro-meteorological methods like flux-gradient methods which were evaluated for determining land-surface emission rates of trace gases under stable boundary layers. Non-intrusive path-integrating measurements are utilized. Successful application of a flux-gradient method requires confidence in the gradients of trace gas concentration and wind, and in the applicability of boundary-layer turbulence theory; consequently the procedures to qualify measurements that can be used to determine the flux is critical. While there is relatively high confidence in flux measurements made under unstable atmospheres with mean winds greater than 1 m s⁻¹, there is greater uncertainty in flux measurements made under free convective or stable conditions. The study of N₂O emissions of flat grassland and NH₃ emissions from a cattle lagoon involves quality-assured determinations of fluxes under low wind, stable or night-time atmospheric conditions when the continuous "steady-state" turbulence of the surface boundary layer breaks down and the layer has intermittent turbulence. Results indicate that following the Monin-Obukhov similarity theory (MOST flux-gradient methods that assume a log-linear profile of the wind speed and concentration gradient incorrectly determine vertical profiles and thus flux in the stable boundary layer. An alternative approach is considered on the basis of turbulent diffusivity, i.e. the measured friction velocity as well as height gradients of horizontal wind speeds and concentrations without MOST correction for stability. It is shown that this is the most accurate of the flux-gradient methods under stable conditions.

Boundary conditions for open quantum systems driven far from equilibrium

Science.gov (United States)

Frensley, William R.

1990-07-01

This is a study of simple kinetic models of open systems, in the sense of systems that can exchange conserved particles with their environment. The system is assumed to be one dimensional and situated between two particle reservoirs. Such a system is readily driven far from equilibrium if the chemical potentials of the reservoirs differ appreciably. The openness of the system modifies the spatial boundary conditions on the single-particle Liouville-von Neumann equation, leading to a non-Hermitian Liouville operator. If the open-system boundary conditions are time reversible, exponentially growing (unphysical) solutions are introduced into the time dependence of the density matrix. This problem is avoided by applying time-irreversible boundary conditions to the Wigner distribution function. These boundary conditions model the external environment as ideal particle reservoirs with properties analogous to those of a blackbody. This time-irreversible model may be numerically evaluated in a discrete approximation and has been applied to the study of a resonant-tunneling semiconductor diode. The physical and mathematical properties of the irreversible kinetic model, in both its discrete and its continuum formulations, are examined in detail. The model demonstrates the distinction in kinetic theory between commutator superoperators, which may become non-Hermitian to describe irreversible behavior, and anticommutator superoperators, which remain Hermitian and are used to evaluate physical observables.

Boundary condition effect on response modification factor of X-braced steel frames

Directory of Open Access Journals (Sweden)

Walid A. Attia

2018-04-01

Full Text Available Design of the structures to resist seismic force depends on the theory of dissipation in elastic energy that already exists in response modification factor “R-factor”. The main problem in codes gives a constant value for R-factor, since change in boundary conditions of building change in behavior of braced steel frame structures and that effects on R-factor. This study is an attempt to assess overstrength, ductility and response modification factor of X-braced steel frame under change in boundary conditions, as change in the direction of strong axis of column and connection support type of column besides variation in storey and bays numbers to be 21 frames and each frame has 8 different boundary conditions as sum of 168 cases for analysis. These frames were analyzed by using nonlinear static “pushover” analysis. As results of this study change in support type and direction of strong axis of column give large change in value of R-factor; the minimum value was 4.37 and maximum value 10.97. Minimum value is close to code value that’s mean the code is more conservative in suggesting of R-factor and gives a large factor of safety. Change in the location of bracing gives change in value of R-factor for all boundary conditions. Change in direction of strong axis of columns and support type didn’t give change in value of fundamental period, all boundary conditions. Keywords: Response modification factor, Ductility reduction factor, Overstrength factor, Boundary conditions, Brace frame, Nonlinear static analysis “Pushover”

Implantation, evaluation and improvement of the diffusion code package developed by the RIS0 Research Center

International Nuclear Information System (INIS)

Koide, M.C.M.

1983-01-01

The evaluation and improvement of the diffusion code package developed by the RIS0 Research Center of Denmark have been performed. The improvements made in the package consisted in the presentation of their manuals. In order to reduce the process time of the codes an analitical boundary condition capable of representing the effects of the baffle and the reflector on the flux distribution has been calculated. Such boundary condition was obtained using a one-dimensional medium in the framework of the two group diffusion theory. The results showed that the application of this boundary condition produces very accurate results and an appreciable economy of processing time. (author) [pt

On uniqueness in diffuse optical tomography

International Nuclear Information System (INIS)

Harrach, Bastian

2009-01-01

A prominent result of Arridge and Lionheart (1998 Opt. Lett. 23 882–4) demonstrates that it is in general not possible to simultaneously recover both the diffusion (aka scattering) and the absorption coefficient in steady-state (dc) diffusion-based optical tomography. In this work we show that it suffices to restrict ourselves to piecewise constant diffusion and piecewise analytic absorption coefficients to regain uniqueness. Under this condition both parameters can simultaneously be determined from complete measurement data on an arbitrarily small part of the boundary

Diffusion of 99-technetium in bentonite under aerobic and anaerobic conditions

International Nuclear Information System (INIS)

Vecernik, P.; Jedinakova-Krizova, V.; Vokal, A.

2006-01-01

Diffusion experiments were performed with 99 Tc and Re (a model of technetium) in the form of pertechnetate and perrhenate in bentonite from the Rokle locality (Czech Republic). The through diffusion method was used, and the apparent diffusion coefficients (D a ) were evaluated. The effects of the particle mesh-size, bulk densities, and aerobic or anaerobic conditions on the diffusion were studied in view of the fact that oxidizing or reducing conditions influence the chemical forms of technetium and rhenium. In the presence of oxygen, technetium and rhenium occur in oxidation state VII, as anions which are soluble and mobile in the environment, whereas in reducing conditions they occur in lower oxidation states, mainly as insoluble oxides or hydroxides. Aerobic experiments were carried out in common laboratory conditions, anaerobic experiments were performed under nitrogen

Anomalous diffusion of water molecules at grain boundaries in ice Ih.

Science.gov (United States)

Moreira, Pedro Augusto Franco Pinheiro; Veiga, Roberto Gomes de Aguiar; Ribeiro, Ingrid de Almeida; Freitas, Rodrigo; Helfferich, Julian; de Koning, Maurice

2018-05-23

Using ab initio and classical molecular dynamics simulations, we study pre-melting phenomena in pristine coincident-site-lattice grain boundaries (GBs) in proton-disordered hexagonal ice Ih at temperatures just below the melting point Tm. Concerning pre-melt-layer thicknesses, the results are consistent with the available experimental estimates for low-disorder impurity-free GBs. With regard to molecular mobility, the simulations provide a key new insight: the translational motion of the water molecules is found to be subdiffusive for time scales from ∼10 ns up to at least 0.1 μs. Moreover, the fact that the anomalous diffusion occurs even at temperatures just below Tm where the bulk supercooled liquid still diffuses normally suggests that it is related to the confinement of the GB pre-melt layers by the surrounding crystalline environment. Furthermore, we show that this behavior can be characterized by continuous-time random walk models in which the waiting-time distributions decay according to power-laws that are very similar to those describing dynamics in glass-forming systems.

The effect of surface contact conditions on grain boundary interdiffusion in a semi-infinite bicrystal

Czech Academy of Sciences Publication Activity Database

Svoboda, Jiří; Fischer, F. D.; Klinger, L.; Rabkin, E.

2014-01-01

Roč. 94, č. 30 (2014), s. 3398-3412 ISSN 1478-6435 Institutional support: RVO:68081723 Keywords : grain boundary diffusion * liquid metals * stress analysis * interfacial thermodynamics Subject RIV: BJ - Thermodynamics Impact factor: 1.825, year: 2014

Uniqueness theorems for differential pencils with eigenparameter boundary conditions and transmission conditions

Science.gov (United States)

Yang, Chuan-Fu

Inverse spectral problems are considered for differential pencils with boundary conditions depending polynomially on the spectral parameter and with a finite number of transmission conditions. We give formulations of the associated inverse problems such as Titchmarsh-Weyl theorem, Hochstadt-Lieberman theorem and Mochizuki-Trooshin theorem, and prove corresponding uniqueness theorems. The obtained results are generalizations of the similar results for the classical Sturm-Liouville operator on a finite interval.

Simple Navier’s slip boundary condition for the non-Newtonian Lattice Boltzmann fluid dynamics solver

DEFF Research Database (Denmark)

Svec, Oldrich; Skoček, Jan

2013-01-01

The ability of the Lattice Boltzmann method, as the fluid dynamics solver, to properly simulate macroscopic Navier’s slip boundary condition is investigated. An approximate equation relating the Lattice Boltzmann variable slip boundary condition with the macroscopic Navier’s slip boundary condition...

BOUNDARY CONDITIONS IN GAP GEOMETRY

Energy Technology Data Exchange (ETDEWEB)

Rothenstein, W.; Helholtz, J.

1963-11-15

The procedure for calculnting the monoenergetic angular flux density in lattice cells including voids between fuel and moderator is discussed. Boundary conditions describThe thermal energy of a nuclear reactor may be conserved by using as the reactor coolant a hydrocarbon fraction boiling within the range 220 to 650 deg C (preferably 340 to 550 deg C) and containing not more than 5% of extraneous materials having neutron cross sections of > 10 barns. The hot coolant may either be cracked outside of the reactor or used to heat another petroleum hydrocarbon which is to be converted. (D.L.C.)

Atmospheric-radiation boundary conditions for high-frequency waves in time-distance helioseismology

Science.gov (United States)

Fournier, D.; Leguèbe, M.; Hanson, C. S.; Gizon, L.; Barucq, H.; Chabassier, J.; Duruflé, M.

2017-12-01

The temporal covariance between seismic waves measured at two locations on the solar surface is the fundamental observable in time-distance helioseismology. Above the acoustic cut-off frequency ( 5.3 mHz), waves are not trapped in the solar interior and the covariance function can be used to probe the upper atmosphere. We wish to implement appropriate radiative boundary conditions for computing the propagation of high-frequency waves in the solar atmosphere. We consider recently developed and published radiative boundary conditions for atmospheres in which sound-speed is constant and density decreases exponentially with radius. We compute the cross-covariance function using a finite element method in spherical geometry and in the frequency domain. The ratio between first- and second-skip amplitudes in the time-distance diagram is used as a diagnostic to compare boundary conditions and to compare with observations. We find that a boundary condition applied 500 km above the photosphere and derived under the approximation of small angles of incidence accurately reproduces the "infinite atmosphere" solution for high-frequency waves. When the radiative boundary condition is applied 2 Mm above the photosphere, we find that the choice of atmospheric model affects the time-distance diagram. In particular, the time-distance diagram exhibits double-ridge structure when using a Vernazza Avrett Loeser atmospheric model.

Mixed problems for linear symmetric hyperbolic systems with characteristic boundary conditions

International Nuclear Information System (INIS)

Secchi, P.

1994-01-01

We consider the initial-boundary value problem for symmetric hyperbolic systems with characteristic boundary of constant multiplicity. In the linear case we give some results about the existence of regular solutions in suitable functions spaces which take in account the loss of regularity in the normal direction to the characteristic boundary. We also consider the equations of ideal magneto-hydrodynamics under perfectly conducting wall boundary conditions and give some results about the solvability of such mixed problem. (author). 16 refs

Flow boundary conditions for chain-end adsorbing polymer blends.

Science.gov (United States)

Zhou, Xin; Andrienko, Denis; Delle Site, Luigi; Kremer, Kurt

2005-09-08

Using the phenol-terminated polycarbonate blend as an example, we demonstrate that the hydrodynamic boundary conditions for a flow of an adsorbing polymer melt are extremely sensitive to the structure of the epitaxial layer. Under shear, the adsorbed parts (chain ends) of the polymer melt move along the equipotential lines of the surface potential whereas the adsorbed additives serve as the surface defects. In response to the increase of the number of the adsorbed additives the surface layer becomes thinner and solidifies. This results in a gradual transition from the slip to the no-slip boundary condition for the melt flow, with a nonmonotonic dependence of the slip length on the surface concentration of the adsorbed ends.

Scalar field dynamics in a BTZ background with generic boundary conditions

Energy Technology Data Exchange (ETDEWEB)

Garbarz, Alan; La Madrid, Joan [UBA y IFIBA, CONICET, Departamento de Fisica, FCEyN, Buenos Aires (Argentina); Leston, Mauricio [Pabellon IAFE-CONICET, Instituto de Astronomia y Fisica del Espacio, Buenos Aires (Argentina)

2017-11-15

We revisit the dynamics of a massive scalar field in a Banados, Teitelboim, and Zanelli background taking into account the lack of global hyperbolicity of the spacetime. We approach this issue using the strategy of Ishibashi and Wald which finds a unique smooth solution as the causal evolution of initial data, each possible evolution corresponding to a positive self-adjoint extension of certain operator in a Hilbert space on the initial surface. Moreover, solutions obtained this way are the most general ones satisfying a few physically sensible requirements. This procedure is intimately related to the choice of boundary conditions and the existence of bound states. We find that the scalar field dynamics in the (effective) mass window -3/4 ≤ m{sub e}{sup 2}l{sup 2} < 0 can be well defined within a one-parametric family of distinct boundary conditions (-3/4 being the conformally coupled case), while for m{sub e}{sup 2}l{sup 2} ≥ 0 the boundary condition is unique (only one self-adjoint extension is possible). It is argued that there is no sensible evolution possible for m{sub e}{sup 2}l{sup 2} < -1, and also it is shown that in the range m{sub e}{sup 2}l{sup 2} element of [-1, -3/4) there is a U(1) family of allowed boundary conditions, however, the positivity of the self-adjoint extensions is only motivated but not proven. We focus mainly on describing the dynamics of such evolutions given the initial data and all possible boundary conditions, and in particular we show the energy is always positive and conserved. (orig.)

Attractor of Beam Equation with Structural Damping under Nonlinear Boundary Conditions

Directory of Open Access Journals (Sweden)

Danxia Wang

2015-01-01

Full Text Available Simultaneously, considering the viscous effect of material, damping of medium, and rotational inertia, we study a kind of more general Kirchhoff-type extensible beam equation utt-uxxtt+uxxxx-σ(∫0l‍(ux2dxuxx-ϕ(∫0l‍(ux2dxuxxt=q(x, in  [0,L]×R+ with the structural damping and the rotational inertia term. Little attention is paid to the longtime behavior of the beam equation under nonlinear boundary conditions. In this paper, under nonlinear boundary conditions, we prove not only the existence and uniqueness of global solutions by prior estimates combined with some inequality skills, but also the existence of a global attractor by the existence of an absorbing set and asymptotic compactness of corresponding solution semigroup. In addition, the same results also can be proved under the other nonlinear boundary conditions.

Stabilizing local boundary conditions for two-dimensional shallow water equations

KAUST Repository

Dia, Ben Mansour

2018-03-27

In this article, we present a sub-critical two-dimensional shallow water flow regulation. From the energy estimate of a set of one-dimensional boundary stabilization problems, we obtain a set of polynomial equations with respect to the boundary values as a requirement for the energy decrease. Using the Riemann invariant analysis, we build stabilizing local boundary conditions that guarantee the stability of the hydrodynamical state around a given steady state. Numerical results for the controller applied to the nonlinear problem demonstrate the performance of the method.

Enhancement of single mode operation in coaxial optical waveguide using DB boundary conditions

Science.gov (United States)

Lohia, Pooja; Prajapati, Y.; Saini, J. P.; Rai, B. S.

2014-11-01

In this study, a competent numerical strategy to compute the dispersion of optical waveguides is presented and propagation of electromagnetic waves in a coaxial optical waveguide with DB boundary conditions is instigated. For this intend, cylindrical coordinates are here being used to derive the DB boundary conditions and to obtain field components for the modes. The propagation constant for the waveguide to be studied is determined by solving the Bessel and the modified Bessel functions. The cutoff frequencies for various lower order modes have been calculated and their dispersion characteristics are plotted correspondingly. The behavior of the coaxial optical waveguide under DB boundary conditions is shown to be significantly different from that of coaxial optical waveguide and conventional optical waveguide under traditional or tangential boundary conditions. Finally, the effect of waveguide dimensions on the mode cutoff frequencies and fabrication issues are also addressed.

Hydrogeological boundary settings in SR 97. Uncertainties in regional boundary settings and transfer of boundary conditions to site-scale models

International Nuclear Information System (INIS)

Follin, S.

1999-06-01

The SR 97 project presents a performance assessment (PA) of the overall safety of a hypothetical deep repository at three sites in Sweden arbitrarily named Aberg, Beberg and Ceberg. One component of this PA assesses the uncertainties in the hydrogeological modelling. This study focuses on uncertainties in boundary settings (size of model domain and boundary conditions) in the regional and site-scale hydrogeological modelling of the three sites used to simulating the possible transport of radionuclides from the emplacement waste packages through the host rock to the accessible environment. Model uncertainties associated with, for instance, parameter heterogeneity and structural interpretations are addressed in other studies. This study concludes that the regional modelling of the SR 97 project addresses uncertainties in the choice of boundary conditions and size of model domain differently at each site, although the overall handling is acceptable and in accordance with common modelling practice. For example, the treatment of uncertainties with regard to the ongoing post-glacial flushing of the Baltic Shield is creditably addressed although not exhaustive from a modelling point of view. A significant contribution of the performed modelling is the study of nested numerical models, i.e., the numerical interplay between regional and site-scale numerical models. In the site-scale modelling great efforts are made to address problems associated with (i) the telescopic mesh refinement (TMR) technique with regard to the stochastic continuum approach, and (ii) the transfer of boundary conditions between variable-density flow systems and flow systems that are constrained to treat uniform density flow. This study concludes that the efforts made to handle these problems are acceptable with regards to the objectives of the SR 97 project

Boundary conditions and dualities: vector fields in AdS/CFT

International Nuclear Information System (INIS)

Marolf, Donald; Ross, Simo F.

2006-01-01

In AdS, scalar fields with masses slightly above the Breitenlohner-Freedman bound admit a variety of possible boundary conditions which are reflected in the Lagrangian of the dual field theory. Generic small changes in the AdS boundary conditions correspond to deformations of the dual field theory by multi-trace operators. Here we extend this discussion to the case of vector gauge fields in the bulk spacetime using the results of Ishibashi and Wald [hep-th/0402184]. As in the context of scalar fields, general boundary conditions for vector fields involve multi-trace deformations which lead to renormalization-group flows. Such flows originate in ultra-violet CFTs which give new gauge/gravity dualities. At least for AdS 4 /CFT 3 , the dual of the bulk photon appears to be a propagating gauge field instead of the usual R-charge current. Applying similar reasoning to tensor fields suggests the existence of a duality between string theory on AdS 4 and a quantum gravity theory in three dimensions

A general solution in the cylindrical coordinates system for the diffusion of a radionuclide in homogeneous and isotropic solids

CERN Document Server

Ribeiro, F B

1999-01-01

Solutions of the diffusion equation in cylindrical coordinates are presented for a radionuclide produced by the decay of a not diffusing parent isotope with arbitrary activity distribution. General initial and Dirichlet boundary conditions are considered and the diffusion equation is solved for a finite cylinder. Solutions corresponding to two particular boundary conditions that can be imposed in laboratory diffusion coefficient measurements are presented. An analysis of the speed of convergence and of the series truncation error is done for these particular solutions. An example of the escape to production ratio derived from one of the solutions is also presented.

A general solution in the cylindrical coordinates system for the diffusion of a radionuclide in homogeneous and isotropic solids

International Nuclear Information System (INIS)

Ribeiro, Fernando Brenha

1999-01-01

Solutions of the diffusion equation in cylindrical coordinates are presented for a radionuclide produced by the decay of a not diffusing parent isotope with arbitrary activity distribution. General initial and Dirichlet boundary conditions are considered and the diffusion equation is solved for a finite cylinder. Solutions corresponding to two particular boundary conditions that can be imposed in laboratory diffusion coefficient measurements are presented. An analysis of the speed of convergence and of the series truncation error is done for these particular solutions. An example of the escape to production ratio derived from one of the solutions is also presented

Nonlinear fractional differential equations and inclusions of arbitrary order and multi-strip boundary conditions

Directory of Open Access Journals (Sweden)

Bashir Ahmad

2012-06-01

Full Text Available We study boundary value problems of nonlinear fractional differential equations and inclusions of order $q in (m-1, m]$, $m ge 2$ with multi-strip boundary conditions. Multi-strip boundary conditions may be regarded as the generalization of multi-point boundary conditions. Our problem is new in the sense that we consider a nonlocal strip condition of the form: $$ x(1=sum_{i=1}^{n-2}alpha_i int^{eta_i}_{zeta_i} x(sds, $$ which can be viewed as an extension of a multi-point nonlocal boundary condition: $$ x(1=sum_{i=1}^{n-2}alpha_i x(eta_i. $$ In fact, the strip condition corresponds to a continuous distribution of the values of the unknown function on arbitrary finite segments $(zeta_i,eta_i$ of the interval $[0,1]$ and the effect of these strips is accumulated at $x=1$. Such problems occur in the applied fields such as wave propagation and geophysics. Some new existence and uniqueness results are obtained by using a variety of fixed point theorems. Some illustrative examples are also discussed.

Transducer placement for robustness to variations in boundary conditions for active structural acoustic control

Science.gov (United States)

Sprofera, Joseph D.; Clark, Robert L.; Cabell, Randolph H.; Gibbs, Gary P.

2005-05-01

Turbulent boundary layer (TBL) noise is considered a primary contribution to the interior noise present in commercial airliners. There are numerous investigations of interior noise control devoted to aircraft panels; however, practical realization is a potential challenge since physical boundary conditions are uncertain at best. In most prior studies, pinned or clamped boundary conditions were assumed; however, realistic panels likely display a range of boundary conditions between these two limits. Uncertainty in boundary conditions is a challenge for control system designers, both in terms of the compensator implemented and the location of transducers required to achieve the desired control. The impact of model uncertainties, specifically uncertain boundaries, on the selection of transducer locations for structural acoustic control is considered herein. The final goal of this work is the design of an aircraft panel structure that can reduce TBL noise transmission through the use of a completely adaptive, single-input, single-output control system. The feasibility of this goal is demonstrated through the creation of a detailed analytical solution, followed by the implementation of a test model in a transmission loss apparatus. Successfully realizing a control system robust to variations in boundary conditions can lead to the design and implementation of practical adaptive structures that could be used to control the transmission of sound to the interior of aircraft. Results from this research effort indicate it is possible to optimize the design of actuator and sensor location and aperture, minimizing the impact of boundary conditions on the desired structural acoustic control.

Homogenized boundary conditions and resonance effects in Faraday cages

OpenAIRE

Hewett, DP; Hewitt, IJ

2016-01-01

We present a mathematical study of two-dimensional electrostatic and electromagnetic shielding by a cage of conducting wires (the so-called `Faraday cage e ect'). Taking the limit as the number of wires in the cage tends to in nity we use the asymptotic method of multiple scales to derive continuum models for the shielding, involving homogenized boundary conditions on an e ective cage boundary. We show how the resulting models depend on key cage parameters such as the...

Explicit treatment for Dirichlet, Neumann and Cauchy boundary conditions in POD-based reduction of groundwater models

Science.gov (United States)

Gosses, Moritz; Nowak, Wolfgang; Wöhling, Thomas

2018-05-01

In recent years, proper orthogonal decomposition (POD) has become a popular model reduction method in the field of groundwater modeling. It is used to mitigate the problem of long run times that are often associated with physically-based modeling of natural systems, especially for parameter estimation and uncertainty analysis. POD-based techniques reproduce groundwater head fields sufficiently accurate for a variety of applications. However, no study has investigated how POD techniques affect the accuracy of different boundary conditions found in groundwater models. We show that the current treatment of boundary conditions in POD causes inaccuracies for these boundaries in the reduced models. We provide an improved method that splits the POD projection space into a subspace orthogonal to the boundary conditions and a separate subspace that enforces the boundary conditions. To test the method for Dirichlet, Neumann and Cauchy boundary conditions, four simple transient 1D-groundwater models, as well as a more complex 3D model, are set up and reduced both by standard POD and POD with the new extension. We show that, in contrast to standard POD, the new method satisfies both Dirichlet and Neumann boundary conditions. It can also be applied to Cauchy boundaries, where the flux error of standard POD is reduced by its head-independent contribution. The extension essentially shifts the focus of the projection towards the boundary conditions. Therefore, we see a slight trade-off between errors at model boundaries and overall accuracy of the reduced model. The proposed POD extension is recommended where exact treatment of boundary conditions is required.

Inverse anisotropic diffusion from power density measurements in two dimensions

International Nuclear Information System (INIS)

Monard, François; Bal, Guillaume

2012-01-01

This paper concerns the reconstruction of an anisotropic diffusion tensor γ = (γ ij ) 1⩽i,j⩽2 from knowledge of internal functionals of the form γ∇u i · ∇u j with u i for 1 ⩽ i ⩽ I solutions of the elliptic equation ∇ · γ∇u i = 0 on a two-dimensional bounded domain with appropriate boundary conditions. We show that for I = 4 and appropriately chosen boundary conditions, γ may uniquely and stably be reconstructed from such internal functionals, which appear in coupled-physics inverse problems involving the ultrasound modulation of electrical or optical coefficients. Explicit reconstruction procedures for the diffusion tensor are presented and implemented numerically. (paper)

The effect of rotational and translational energy exchange on tracer diffusion in rough hard sphere fluids.

Science.gov (United States)

Kravchenko, Olga; Thachuk, Mark

2011-03-21

A study is presented of tracer diffusion in a rough hard sphere fluid. Unlike smooth hard spheres, collisions between rough hard spheres can exchange rotational and translational energy and momentum. It is expected that as tracer particles become larger, their diffusion constants will tend toward the Stokes-Einstein hydrodynamic result. It has already been shown that in this limit, smooth hard spheres adopt "slip" boundary conditions. The current results show that rough hard spheres adopt boundary conditions proportional to the degree of translational-rotational energy exchange. Spheres for which this exchange is the largest adopt "stick" boundary conditions while those with more intermediate exchange adopt values between the "slip" and "stick" limits. This dependence is found to be almost linear. As well, changes in the diffusion constants as a function of this exchange are examined and it is found that the dependence is stronger than that suggested by the low-density, Boltzmann result. Compared with smooth hard spheres, real molecules undergo inelastic collisions and have attractive wells. Rough hard spheres model the effect of inelasticity and show that even without the presence of attractive forces, the boundary conditions for large particles can deviate from "slip" and approach "stick."

Boundary conditions for quasiclassical Green's function for superfluid Fermi systems

International Nuclear Information System (INIS)

Nagai, K.; Hara, J.

1988-01-01

The authors show that the quasiclassical Green's Function for Fermi liquids can be constructed from the solutions of the Bogoliubov-de Gennes equation within the Andreev approximation and derive self-consistent relations to be satisfied by the quasiclassical Green's function at the surfaces. The so-called normalization condition for the quasiclassical Green's function is obtained from this self-consistent relation. They consider a specularly reflecting wall, a randomly rippled wall, and a proximity boundary as model surfaces. Their boundary condition for the randomly rippled wall is different from that derived by Buchholtz and Rainer and Buchholtz

Diffusive flux in a model of stochastically gated oxygen transport in insect respiration

Energy Technology Data Exchange (ETDEWEB)

Berezhkovskii, Alexander M. [Mathematical and Statistical Computing Laboratory, Division of Computational Bioscience, Center for Information Technology, National Institutes of Health, Bethesda, Maryland 20892 (United States); Shvartsman, Stanislav Y. [Department of Chemical and Biological Engineering and Lewis-Sigler Institute for Integrative Genomics, Princeton University, Princeton, New Jersey 08544 (United States)

2016-05-28

Oxygen delivery to insect tissues is controlled by transport through a branched tubular network that is connected to the atmosphere by valve-like gates, known as spiracles. In certain physiological regimes, the spiracles appear to be randomly switching between open and closed states. Quantitative analysis of this regime leads a reaction-diffusion problem with stochastically switching boundary condition. We derive an expression for the diffusive flux at long times in this problem. Our approach starts with the derivation of the passage probability for a single particle that diffuses between a stochastically gated boundary, which models the opening and closing spiracle, and the perfectly absorbing boundary, which models oxygen absorption by the tissue. This passage probability is then used to derive an expression giving the diffusive flux as a function of the geometric parameters of the tube and characteristic time scales of diffusion and gate dynamics.

Structure, electronic properties, and oxygen incorporation/diffusion characteristics of the Σ 5 TiN(310)[001] tilt grain boundary

Science.gov (United States)

McKenna, Keith P.

2018-02-01

First principles calculations are employed to investigate the structure, electronic properties, and oxygen incorporation/diffusion characteristics of the Σ 5 TiN(310) tilt grain boundary with relevance to applications of polycrystalline TiN in microelectronics and protective coatings. We show that the grain boundary does not significantly modify electronic states near the Fermi energy but does induce an upward shift of up to 0.6 eV in a number of deeper occupied bands. We also show that oxygen is preferentially incorporated into the TiN grain boundary (GB) but must overcome relatively high activation energies for further diffusion. These predictions are consistent with the "stuffed barrier model" proposed to explain the good barrier characteristics of TiN. We also show that while the oxidizing power of TiN GBs is not sufficient to reduce HfO2 (a prototypical gate dielectric material), they can act as a scavenger for interstitial oxygen. Altogether, these results provide the much needed atomistic insights into the properties of a model GB in TiN and suggest a number of directions for future investigation.

The neutron transport with general boundary conditions (II)

International Nuclear Information System (INIS)

Boulanouar, Mohamed

2012-01-01

This Note deals with the one-dimensional transport operator, on an unbounded domain, endowed with general boundary conditions. We show the generation of a strongly continuous semigroup and we study its spectral properties. In particular, we prove the existence of a leading eigenvalue. (author)

Revisiting Johnson and Jackson boundary conditions for granular flows

Energy Technology Data Exchange (ETDEWEB)

Li, Tingwen; Benyahia, Sofiane

2012-07-01

In this article, we revisit Johnson and Jackson boundary conditions for granular flows. The oblique collision between a particle and a flat wall is analyzed by adopting the classic rigid-body theory and a more realistic semianalytical model. Based on the kinetic granular theory, the input parameter for the partial-slip boundary conditions, specularity coefficient, which is not measurable in experiments, is then interpreted as a function of the particle-wall restitution coefficient, the frictional coefficient, and the normalized slip velocity at the wall. An analytical expression for the specularity coefficient is suggested for a flat, frictional surface with a low frictional coefficient. The procedure for determining the specularity coefficient for a more general problem is outlined, and a working approximation is provided.

Faceted shell structure in grain boundary diffusion-processed sintered Nd–Fe–B magnets

International Nuclear Information System (INIS)

Seelam, U.M.R.; Ohkubo, T.; Abe, T.; Hirosawa, S.; Hono, K.

2014-01-01

Graphical abstract: The grain boundary diffusion process (GBDP) using a heavy rare earth elements (HRE) such as Dy and Tb is known as an effective method to enhance the coercivity of Nd–Fe–B sintered magnets without reducing remanence. This process has been industrially implemented to manufacture Nd–Fe–B based sintered magnets with high coercivity and high remanence. In this process, Dy is considered to diffuse through grain boundaries (GBs) to form (Nd 1−x Dy x ) 2 Fe 14 B shells surrounding the Nd 2 Fe 14 B grains and the higher anisotropy field of the Dy-rich shell is considered to suppress the nucleation of reverse domains at low magnetic field. Although there are several investigations on the microstructure of HRE GBDP Nd–Fe–B magnets, no paper addressed the origin of the asymmetric formation of HRE rich shells. Based on detailed analysis of facet planes of core/shell interfaces, we propose a mechanism of the faceted core/shell microstructure formation in the GBDP sintered magnets. We believe that this gives new insights on understanding the coercivity enhancement by the GBDP. - Highlights: • Faceting was observed at the interfaces of cores and shells. • The core/shell interfaces are sharp with an abrupt change in Dy concentration. • Meting occurs at the interfaces of metalic Nd-rich/Nd 2 Fe 14 B phases above 685 °C due to eutectic reaction. • Solidification of Dy-enriched liquid phase from 900 °C can result in the shell formation. - Abstract: Dysprosium enriched shell structure formed by the grain boundary diffusion process (GBDP) of a sintered Nd–Fe–B magnet was characterized by using scanning electron microscopy, electron back-scattered diffraction and transmission electron microscopy. Faceted core–shell interfaces with an abrupt change in Dy concentration suggest the Dy-rich shells are formed by the solidification of the liquid phase during cooling from the GBDP temperature. The Nd-rich phases are almost free from Dy, and

Application of diffusion theory to neutral atom transport in fusion plasmas

International Nuclear Information System (INIS)

Hasan, M.Z.; Conn, R.W.; Pomraning, G.C.

1986-05-01

It is found that energy dependent diffusion theory provides excellent accuracy in the modelling of transport of neutral atoms in fusion plasmas. Two reasons in particular explain the good accuracy. First, while the plasma is optically thick for low energy neutrals, it is optically thin for high energy neutrals and diffusion theory with Marshak boundary conditions gives accurate results for an optically thin medium even for small values of 'c', the ratio of the scattering to the total cross section. Second, the effective value of 'c' at low energy becomes very close to one due to the down-scattering via collisions of high energy neutrals. The first reason is proven both computationally and theoretically by solving the transport equation in a power series in 'c' and the diffusion equation with 'general' Marshak boundary conditions. The second reason is established numerically by comparing the results from a one-dimensional, general geometry, multigroup diffusion theory code, written for this purpose, with the results obtained using the transport code ANISN

Application of diffusion theory to neutral atom transport in fusion plasmas

International Nuclear Information System (INIS)

Hasan, M.Z.; Conn, R.W.; Pomraning, G.C.

1987-01-01

It is found that the energy dependent diffusion theory provides excellent accuracy in the modelling of transport of neutral atoms in fusion plasmas. Two reasons in particular explain the good accuracy. First, while the plasma is optically thick for low energy neutrals, it is optically thin for high energy neutrals and the diffusion theory with Marshak boundary conditions gives accurate results for an optically thin medium, even for small values of c, the ratio of the scattering cross-section to the total cross-section. Second, the effective value of c at low energy is very close to 1 because of the downscattering via collisions of high energy neutrals. The first reason is proven computationally and theoretically by solving the transport equation in a power series in c and solving the diffusion equation with 'general' Marshak boundary conditions. The second reason is established numerically by comparing the results from a one-dimensional, general geometry, multigroup diffusion theory code, written for this purpose, with the results obtained using the transport code ANISN. Earlier studies comparing one-speed diffusion and transport theory indicated that the diffusion theory would be inaccurate. A detailed analysis shows that this conclusion is limited to a very specific case. Surprisingly, for a very wide range of conditions and when energy dependence is included, the diffusion theory is highly accurate. (author)

Recursive recovery of Markov transition probabilities from boundary value data

Energy Technology Data Exchange (ETDEWEB)

Patch, Sarah Kathyrn [Univ. of California, Berkeley, CA (United States)

1994-04-01

In an effort to mathematically describe the anisotropic diffusion of infrared radiation in biological tissue Gruenbaum posed an anisotropic diffusion boundary value problem in 1989. In order to accommodate anisotropy, he discretized the temporal as well as the spatial domain. The probabilistic interpretation of the diffusion equation is retained; radiation is assumed to travel according to a random walk (of sorts). In this random walk the probabilities with which photons change direction depend upon their previous as well as present location. The forward problem gives boundary value data as a function of the Markov transition probabilities. The inverse problem requires finding the transition probabilities from boundary value data. Problems in the plane are studied carefully in this thesis. Consistency conditions amongst the data are derived. These conditions have two effects: they prohibit inversion of the forward map but permit smoothing of noisy data. Next, a recursive algorithm which yields a family of solutions to the inverse problem is detailed. This algorithm takes advantage of all independent data and generates a system of highly nonlinear algebraic equations. Pluecker-Grassmann relations are instrumental in simplifying the equations. The algorithm is used to solve the 4 x 4 problem. Finally, the smallest nontrivial problem in three dimensions, the 2 x 2 x 2 problem, is solved.

Three Boundary Conditions for Computing the Fixed-Point Property in Binary Mixture Data.

Directory of Open Access Journals (Sweden)

Leendert van Maanen

Full Text Available The notion of "mixtures" has become pervasive in behavioral and cognitive sciences, due to the success of dual-process theories of cognition. However, providing support for such dual-process theories is not trivial, as it crucially requires properties in the data that are specific to mixture of cognitive processes. In theory, one such property could be the fixed-point property of binary mixture data, applied-for instance- to response times. In that case, the fixed-point property entails that response time distributions obtained in an experiment in which the mixture proportion is manipulated would have a common density point. In the current article, we discuss the application of the fixed-point property and identify three boundary conditions under which the fixed-point property will not be interpretable. In Boundary condition 1, a finding in support of the fixed-point will be mute because of a lack of difference between conditions. Boundary condition 2 refers to the case in which the extreme conditions are so different that a mixture may display bimodality. In this case, a mixture hypothesis is clearly supported, yet the fixed-point may not be found. In Boundary condition 3 the fixed-point may also not be present, yet a mixture might still exist but is occluded due to additional changes in behavior. Finding the fixed-property provides strong support for a dual-process account, yet the boundary conditions that we identify should be considered before making inferences about underlying psychological processes.

Boundedness for a system of reaction-diffusion equations with more general Arrhenius term. Pt. 1

International Nuclear Information System (INIS)

Okoya, S.S.

1992-11-01

In this paper, we consider an extended model of a coupled nonlinear reaction-diffusion equation with Neumann-Neumann boundary conditions. We obtain upper linear growth bound for one of the components. We also find the corresponding bound for the case of Dirichlet-Dirichlet boundary conditions. (author). 12 refs

The Hardy inequality with boundary or intermediate conditions

Czech Academy of Sciences Publication Activity Database

Kufner, Alois

2017-01-01

Roč. 8, č. 2 (2017), s. 105-109 ISSN 2077-9879 Institutional support: RVO:67985840 Keywords : Hardy's inequality * boundary conditions Subject RIV: BA - General Mathematics OBOR OECD: Pure mathematics http://www.mathnet.ru/ php /archive.phtml?wshow=paper&jrnid=emj&paperid=259&option_lang=eng

The Hardy inequality with boundary or intermediate conditions

Czech Academy of Sciences Publication Activity Database

Kufner, Alois

2017-01-01

Roč. 8, č. 2 (2017), s. 105-109 ISSN 2077-9879 Institutional support: RVO:67985840 Keywords : Hardy's inequality * boundary conditions Subject RIV: BA - General Mathematics OBOR OECD: Pure mathematics http://www.mathnet.ru/php/archive.phtml?wshow=paper&jrnid=emj&paperid=259&option_lang=eng

Solutions for a diffusion equation with a backbone term

International Nuclear Information System (INIS)

Tateishi, A A; Lenzi, E K; Ribeiro, H V; Evangelista, L R; Mendes, R S; Da Silva, L R

2011-01-01

We investigate the diffusion equation ∂ t ρ=D y ∂ y 2 ρ+D x ∂ x 2 ρ+ D-bar x δ(y)∂ x μ ρ subjected to the boundary conditions ρ(±∞,y;t)=0 and ρ(x,±∞;t)=0, and the initial condition ρ(x,y;0)= ρ-hat (x,y). We obtain exact solutions in terms of the Green function approach and analyze the mean square displacement in the x and y directions. This analysis shows an anomalous spreading of the system which is characterized by different diffusive regimes connected to anomalous diffusion

New complex variable meshless method for advection—diffusion problems

International Nuclear Information System (INIS)

Wang Jian-Fei; Cheng Yu-Min

2013-01-01

In this paper, an improved complex variable meshless method (ICVMM) for two-dimensional advection—diffusion problems is developed based on improved complex variable moving least-square (ICVMLS) approximation. The equivalent functional of two-dimensional advection—diffusion problems is formed, the variation method is used to obtain the equation system, and the penalty method is employed to impose the essential boundary conditions. The difference method for two-point boundary value problems is used to obtain the discrete equations. Then the corresponding formulas of the ICVMM for advection—diffusion problems are presented. Two numerical examples with different node distributions are used to validate and inestigate the accuracy and efficiency of the new method in this paper. It is shown that ICVMM is very effective for advection—diffusion problems, and has a good convergent character, accuracy, and computational efficiency

Convergence to equilibrium of renormalised solutions to nonlinear chemical reaction–diffusion systems

Science.gov (United States)

Fellner, Klemens; Tang, Bao Quoc

2018-06-01

The convergence to equilibrium for renormalised solutions to nonlinear reaction-diffusion systems is studied. The considered reaction-diffusion systems arise from chemical reaction networks with mass action kinetics and satisfy the complex balanced condition. By applying the so-called entropy method, we show that if the system does not have boundary equilibria, i.e. equilibrium states lying on the boundary of R_+^N, then any renormalised solution converges exponentially to the complex balanced equilibrium with a rate, which can be computed explicitly up to a finite-dimensional inequality. This inequality is proven via a contradiction argument and thus not explicitly. An explicit method of proof, however, is provided for a specific application modelling a reversible enzyme reaction by exploiting the specific structure of the conservation laws. Our approach is also useful to study the trend to equilibrium for systems possessing boundary equilibria. More precisely, to show the convergence to equilibrium for systems with boundary equilibria, we establish a sufficient condition in terms of a modified finite-dimensional inequality along trajectories of the system. By assuming this condition, which roughly means that the system produces too much entropy to stay close to a boundary equilibrium for infinite time, the entropy method shows exponential convergence to equilibrium for renormalised solutions to complex balanced systems with boundary equilibria.

Generalized Analytical Treatment Of The Source Strength In The Solution Of The Diffusion Equation

International Nuclear Information System (INIS)

Essa, Kh.S.M.; EI-Otaify, M.S.

2007-01-01

The source release strength (which is an integral part of the mathematical formulation of the diffusion equation) together with the boundary conditions leads to three different forms of the diffusion equation. The obtained forms have been solved analytically under different boundary conditions, by using transformation of axis, cosine, and Fourier transformation. Three equivalent alternative mathematical formulations of the problem have been obtained. The estimated solution of the concentrations at the ground source has been used for comparison with observed concentrations data for SF 6 tracer experiments in low wind and unstable conditions at lIT Delhi sports ground. A good agreement between estimated and observed concentrations is found

Probability representations of a class of two-way diffusions

Energy Technology Data Exchange (ETDEWEB)

Clifford, P.; Green, N.J.P. [Department of Statistics, University of Oxford, Oxford (United Kingdom); Feng, J.F. [COGS, Sussex University, Brighton (United Kingdom); Wei, G. [Department of Mathematics, Hong Kong Baptist University, Kowloon Tong, Kowloon, Hong Kong (China)

2002-07-19

There has been little progress in the analysis of two-way diffusion in the last few decades due to the difficulties brought by the interface section similar to a free boundary condition. In this paper, however, the equivalent probability model is considered and the interface section is precisely described by an integral equation. The solution of two-way diffusion is then expressed in an integral form with the integrand being the solution of a classical first passage time model and the solution of a one-dimensional integral equation which is relatively easier to solve. The exact expression of the two-way diffusion enables us to find the explicit solution of the model with infinite horizontal boundaries and without drifting. (author)

An iterative kernel based method for fourth order nonlinear equation with nonlinear boundary condition

Science.gov (United States)

Azarnavid, Babak; Parand, Kourosh; Abbasbandy, Saeid

2018-06-01

This article discusses an iterative reproducing kernel method with respect to its effectiveness and capability of solving a fourth-order boundary value problem with nonlinear boundary conditions modeling beams on elastic foundations. Since there is no method of obtaining reproducing kernel which satisfies nonlinear boundary conditions, the standard reproducing kernel methods cannot be used directly to solve boundary value problems with nonlinear boundary conditions as there is no knowledge about the existence and uniqueness of the solution. The aim of this paper is, therefore, to construct an iterative method by the use of a combination of reproducing kernel Hilbert space method and a shooting-like technique to solve the mentioned problems. Error estimation for reproducing kernel Hilbert space methods for nonlinear boundary value problems have yet to be discussed in the literature. In this paper, we present error estimation for the reproducing kernel method to solve nonlinear boundary value problems probably for the first time. Some numerical results are given out to demonstrate the applicability of the method.

A One-Dimensional Wave Equation with White Noise Boundary Condition

International Nuclear Information System (INIS)

Kim, Jong Uhn

2006-01-01

We discuss the Cauchy problem for a one-dimensional wave equation with white noise boundary condition. We also establish the existence of an invariant measure when the noise is additive. Similar problems for parabolic equations were discussed by several authors. To our knowledge, there is only one work which investigated the initial-boundary value problem for a wave equation with random noise at the boundary. We handle a more general case by a different method. Our result on the existence of an invariant measure relies on the author's recent work on a certain class of stochastic evolution equations

Design Method for Channel Diffusers of Centrifugal Compressors

Directory of Open Access Journals (Sweden)

Mykola Kalinkevych

2013-01-01

Full Text Available The design method for channel diffusers of centrifugal compressors, which is based on the solving of the inverse problem of gas dynamics, is presented in the paper. The concept of the design is to provide high pressure recovery of the diffuser by assuming the preseparation condition of the boundary layer along one of the channel surfaces. The channel diffuser was designed with the use of developed method to replace the vaned diffuser of the centrifugal compressor model stage. The numerical simulation of the diffusers was implemented by means of CFD software. Obtained gas dynamic characteristics of the designed diffuser were compared to the base vaned diffuser of the compressor stage.

Dirac perturbations on Schwarzschild-anti-de Sitter spacetimes: Generic boundary conditions and new quasinormal modes

Science.gov (United States)

Wang, Mengjie; Herdeiro, Carlos; Jing, Jiliang

2017-11-01

We study Dirac quasinormal modes of Schwarzschild-anti-de Sitter (Schwarzschild-AdS) black holes, following the generic principle for allowed boundary conditions proposed in [M. Wang, C. Herdeiro, and M. O. P. Sampaio, Phys. Rev. D 92, 124006 (2015)., 10.1103/PhysRevD.92.124006]. After deriving the equations of motion for Dirac fields on the aforementioned background, we impose vanishing energy flux boundary conditions to solve these equations. We find a set of two Robin boundary conditions are allowed. These two boundary conditions are used to calculate Dirac normal modes on empty AdS and quasinormal modes on Schwarzschild-AdS black holes. In the former case, we recover the known normal modes of empty AdS; in the latter case, the two sets of Robin boundary conditions lead to two different branches of quasinormal modes. The impact on these modes of the black hole size, the angular momentum quantum number and the overtone number are discussed. Our results show that vanishing energy flux boundary conditions are a robust principle, applicable not only to bosonic fields but also to fermionic fields.

Quantum communication through a spin ring with twisted boundary conditions

International Nuclear Information System (INIS)

Bose, S.; Jin, B.-Q.; Korepin, V.E.

2005-01-01

We investigate quantum communication between the sites of a spin ring with twisted boundary conditions. Such boundary conditions can be achieved by a magnetic flux through the ring. We find that a nonzero twist can improve communication through finite odd-numbered rings and enable high-fidelity multiparty quantum communication through spin rings (working near perfectly for rings of five and seven spins). We show that in certain cases, the twist results in the complete blockage of quantum-information flow to a certain site of the ring. This effect can be exploited to interface and entangle a flux qubit and a spin qubit without embedding the latter in a magnetic field

A new analytical solution to the diffusion problem: Fourier series ...

African Journals Online (AJOL)

This paper reviews briefly the origin of Fourier Series Method. The paper then gives a vivid description of how the method can be applied to solve a diffusion problem, subject to some boundary conditions. The result obtained is quite appealing as it can be used to solve similar examples of diffusion equations. JONAMP Vol.

Anomalous diffusion in niobium. Study of solute diffusion mechanism of iron in niobium

International Nuclear Information System (INIS)

Ablitzer, D.

1977-01-01

In order to explain anomalously high diffusion velocities observed for iron diffusion in niobium, the following parameters were measured: isotope effect, b factor (which expresses the effect of iron on niobium self-diffusion), self-diffusion coefficient of niobium, solute diffusion coefficient of iron in niobium. The results obtained show that neither pure vacancy models, nor diffusion in the lattice defects (dislocations, sub-boundaries, grain boundaries), nor pure interstitialy mechanisms, nor simple or cyclic exchange mechanisms agree with experiments. A mechanism is proposed which considers an equilibrium between substitution iron atoms and interstitial iron atoms. The diffusion of iron then occurs through interstitial vancancy pairs [fr

The effects of external conditions in turbulent boundary layers

Science.gov (United States)

Brzek, Brian G.

The effects of multiple external conditions on turbulent boundary layers were studied in detail. These external conditions include: surface roughness, upstream turbulence intensity, and pressure gradient. Furthermore, the combined effects of these conditions show the complicated nature of many realistic flow conditions. It was found that the effects of surface roughness are difficult to generalize, given the importance of so many parameters. These parameters include: roughness geometry, roughness regime, roughness height to boundary layer thickness, (k/delta), roughness parameter, ( k+), Reynolds number, and roughness function (Delta B+). A further complication, is the difficulty in computing the wall shear stress, tauw/rho. For the sand grain type roughness, the mean velocity and Reynolds stresses were studied in inner and outer variables, as well as, boundary layer parameters, anisotropy tensor, production term, and viscous stress and form drag contributions. To explore the effects of roughness and Reynolds number dependence in the boundary layer, a new experiment was carefully designed to properly capture the x-dependence of the single-point statistics. It was found that roughness destroys the viscous layer near the wall, thus, reducing the contribution of the viscous stress in the wall region. As a result, the contribution in the skin friction due to form drag increases, while the viscous stress decreases. This yields Reynolds number invariance in the skin friction, near-wall roughness parameters, and inner velocity profiles as k + increases into the fully rough regime. However, in the transitionally rough regime, (i.e., 5 component shows the largest influence of roughness, where the high peak near the wall was decreased and became nearly flat for the fully rough regime profiles. In addition, the Reynolds stresses in outer variables show self-similarity for fixed experimental conditions. However, as the roughness parameter, k +, increases, all Reynolds stress

Eigenstates of a particle in an array of hexagons with periodic boundary condition

Directory of Open Access Journals (Sweden)

A Nemati

2013-10-01

Full Text Available In this paper the problem of a particle in an array of hexagons with periodic boundary condition is solved. Using the projection operators, we categorize eigenfunctions corresponding to each of the irreducible representations of the symmetry group . Based on these results, the Dirichlet and Neumann boundary conditions are discussed.

Molecular Dynamics with Helical Periodic Boundary Conditions

Czech Academy of Sciences Publication Activity Database

Kessler, Jiří; Bouř, Petr

2014-01-01

Roč. 35, č. 21 (2014), s. 1552-1559 ISSN 0192-8651 R&D Projects: GA ČR GAP208/11/0105; GA MŠk(CZ) LH11033 Grant - others:GA AV ČR(CZ) M200551205; GA MŠk(CZ) LM2010005 Institutional support: RVO:61388963 Keywords : periodic boundary conditions * helical symmetry * molecular dynamics * protein structure * amyloid fibrils Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.589, year: 2014

Boundary conditions in conformal and integrable theories

CERN Document Server

Petkova, V B

2000-01-01

The study of boundary conditions in rational conformal field theories is not only physically important. It also reveals a lot on the structure of the theory ``in the bulk''. The same graphs classify both the torus and the cylinder partition functions and provide data on their hidden ``quantum symmetry''. The Ocneanu triangular cells -- the 3j-symbols of these symmetries, admit various interpretations and make a link between different problems.

Simulation of conditional diffusions via forward-reverse stochastic representations

KAUST Repository

Bayer, Christian

2015-01-01

We derive stochastic representations for the finite dimensional distributions of a multidimensional diffusion on a fixed time interval,conditioned on the terminal state. The conditioning can be with respect to a fixed measurement point or more generally with respect to some subset. The representations rely on a reverse process connected with the given (forward) diffusion as introduced by Milstein, Schoenmakers and Spokoiny in the context of density estimation. The corresponding Monte Carlo estimators have essentially root-N accuracy, and hence they do not suffer from the curse of dimensionality. We also present an application in statistics, in the context of the EM algorithm.

Simulation of conditional diffusions via forward-reverse stochastic representations

KAUST Repository

Bayer, Christian

2015-01-07

We derive stochastic representations for the finite dimensional distributions of a multidimensional diffusion on a fixed time interval,conditioned on the terminal state. The conditioning can be with respect to a fixed measurement point or more generally with respect to some subset. The representations rely on a reverse process connected with the given (forward) diffusion as introduced by Milstein, Schoenmakers and Spokoiny in the context of density estimation. The corresponding Monte Carlo estimators have essentially root-N accuracy, and hence they do not suffer from the curse of dimensionality. We also present an application in statistics, in the context of the EM algorithm.

Quantifying the effect of medium composition on the diffusive mass transfer of hydrophobic organic chemicals through unstirred boundary layers

DEFF Research Database (Denmark)

Mayer, Philipp; Karlson, U.; Christensen, P.S.

2005-01-01

Unstirred boundary layers (UBLs) often act as a bottleneck for the diffusive transport of hydrophobic organic compounds (HOCs) in the environment. Therefore, a microscale technique was developed for quantifying mass transfer through a 100-μm thin UBL, with the medium composition of the UBL...... as the controllable factor. The model compound fluoranthene had to (1) partition from a contaminated silicone disk (source) into the medium, (2) then diffuse through 100 μm of medium (UBL), and finally (3) partition into a clean silicone layer (sink). The diffusive mass transfer from source to sink was monitored over...... of magnitude. These results demonstrate that medium constituents, which normally are believed to bind hydrophobic organic chemicals, actually can enhance the diffusive mass transfer of HOCs in the vicinity of a diffusion source (e.g., contaminated soil particles). The technique can be used to evaluate...

Theoretical analysis of turbulent transport through the diffuse boundary layer in the dynamic stabilization of superimposed miscible liquids

International Nuclear Information System (INIS)

Gerhauser, H.

1980-02-01

Two superimposed miscible liquids are separated by a diffuse boundary layer providing a steady transition of density. If the heavy fluid is on top of the light one, Rayleigh-Taylor-instabilities develop and cause a rapid interchange and eventually an intermixing. This process can be subjected to dynamic stabilization by enforcing vertical oscillations upon the whole system. However, since only part of the unstable mode spectrum is completely stabilized, the remaining weakly unstable modes lead to turbulent transport processes through the boundary layer ('anomalous diffusion'), so that only a quasistationary equilibrium is achieved. In the present paper, previous experimental results on the dynamic stabilization of water superimposed by an aqueous ZnJ-solution are theoretically interpreted, and the observed spatial structure as well as the time development of the density profiles are explained. There exists an analogy between these phenomena and turbulent transport processes in tokamak discharges such as the sawtooth oscillations of internal disruptions. (orig.) [de

Solution of the advection-diffusion equation for a nonhomogeneous and nonstationary Planetary Boundary Layer by GILTT (Generalized Integral Laplace Transform Technique)

International Nuclear Information System (INIS)

Mello, Kelen Berra de

2005-02-01

In this work is shown the solution of the advection-diffusion equation to simulate a pollutant dispersion in the Planetary Boundary Layer. The solution is obtained through of the GILTT (Generalized Integral Laplace Transform Technique) analytic method and of the numerical inversion Gauss Quadrature. The validity of the solution is proved using concentration obtained from the model with concentration obtained for Copenhagen experiment. In this comparison was utilized potential and logarithmic wind profile and eddy diffusivity derived by Degrazia et al (1997) [17] and (2002) [19]. The best results was using the potential wind profile and the eddy diffusivity derived by Degrazia et al (1997). The vertical velocity influence is shown in the plume behavior of the pollutant concentration. Moreover, the vertical and longitudinal velocity provided by Large Eddy Simulation (LES) was stood in the model to simulate the turbulent boundary layer more realistic, the result was satisfactory when compared with contained in the literature. (author)

Boundary terms and junction conditions for the DGP π-Lagrangian and galileon

International Nuclear Information System (INIS)

Dyer, Ethan; Hinterbichler, Kurt

2009-01-01

In the decoupling limit of DGP, π describes the brane-bending degree of freedom. It obeys second order equations of motion, yet it is governed by a higher derivative Lagrangian. We show that, analogously to the Einstein-Hilbert action for GR, the π-Lagrangian requires Gibbons-Hawking-York type boundary terms to render the variational principle well-posed. These terms are important if there are other boundaries present besides the DGP brane, such as in higher dimensional cascading DGP models. We derive the necessary boundary terms in two ways. First, we derive them directly from the brane-localized π-Lagrangian by demanding well-posedness of the action. Second, we calculate them directly from the bulk, taking into account the Gibbons-Hawking-York terms in the bulk Einstein-Hilbert action. As an application, we use the new boundary terms to derive Israel junction conditions for π across a sheet-like source. In addition, we calculate boundary terms and junction conditions for the galileons which generalize the DGP π-Lagrangian, showing that the boundary term for the n-th order galileon is the (n-1)-th order galileon.

First-principle proof of the modified collision boundary conditions for the hard-sphere system

International Nuclear Information System (INIS)

Tessarotto, Massimo; Cremaschini, Claudio

2014-01-01

A fundamental issue lying at the foundation of classical statistical mechanics is the determination of the collision boundary conditions that characterize the dynamical evolution of multi-particle probability density functions (PDF) and are applicable to systems of hard-spheres undergoing multiple elastic collisions. In this paper it is proved that, when the deterministic N-body PDF is included in the class of admissible solutions of the Liouville equation, the customary form of collision boundary conditions adopted in previous literature becomes physically inconsistent and must actually be replaced by suitably modified collision boundary conditions.

Slarti: A boundary condition editor for a coupled climate model

Science.gov (United States)

Mickelson, S. A.; Jacob, R. L.; Pierrehumbert, R.

2006-12-01

One of the largest barriers to making climate models more flexible is the difficulty in creating new boundary conditions, especially for "deep time" paleoclimate cases where continents are in different positions. Climate models consist of several mutually-interacting component models and the boundary conditions must be consistent between them. We have developed a program called Slarti which uses a Graphical User Interface and a set of consistency rules to aid researchers in creating new, consistent, boundary condition files for the Fast Ocean Atmosphere Model (FOAM). Users can start from existing mask, topography, or bathymetry data or can build a "world" entirely from scratch (e.g. a single island continent). Once a case has been started, users can modify mask, vegetation, bathymetry, topography, and river flow fields by drawing new data through a "paint" interface. Users activate a synchronization button which goes through the fields to eliminate inconsistencies. When the changes are complete and save is selected, Slarti creates all the necessary files for an initial run of FOAM. The data is edited at the highest resolution (the ocean-land surface in FOAM) and then interpolated to the atmosphere resolution. Slarti was implemented in Java to maintain portability across platforms. We also relied heavily on Java Swing components to create the interface. This allowed us to create an object-oriented interface that could be used on many different systems. Since Slarti allows users to visualize their changes, they are able to see areas that may cause problems when the model is ran. Some examples would be lakes from the river flow field and narrow trenches within the bathymetry. Through different checks and options available through its interface, Slarti makes the process of creating new boundary conditions for FOAM easier and faster while reducing the chance for user errors.

Reconsidering the boundary conditions for a dynamic, transient mode I crack problem

KAUST Repository

Leise, Tanya

2008-11-01

A careful examination of a dynamic mode I crack problem leads to the conclusion that the commonly used boundary conditions do not always hold in the case of an applied crack face loading, so that a modification is required to satisfy the equations. In particular, a transient compressive stress wave travels along the crack faces, moving outward from the loading region on the crack face. This does not occur in the quasistatic or steady state problems, and is a special feature of the transient dynamic problem that is important during the time interval immediately following the application of crack face loading. We demonstrate why the usual boundary conditions lead to a prediction of crack face interpenetration, and then examine how to modify the boundary condition for a semi-infinite crack with a cohesive zone. Numerical simulations illustrate the resulting approach.

Matrix factorisations for rational boundary conditions by defect fusion

International Nuclear Information System (INIS)

Behr, Nicolas; Fredenhagen, Stefan

2015-01-01

A large class of two-dimensional N=(2,2) superconformal field theories can be understood as IR fixed-points of Landau-Ginzburg models. In particular, there are rational conformal field theories that also have a Landau-Ginzburg description. To understand better the relation between the structures in the rational conformal field theory and in the Landau-Ginzburg theory, we investigate how rational B-type boundary conditions are realised as matrix factorisations in the SU(3)/U(2) Grassmannian Kazama-Suzuki model. As a tool to generate the matrix factorisations we make use of a particular interface between the Kazama-Suzuki model and products of minimal models, whose fusion can be realised as a simple functor on ring modules. This allows us to formulate a proposal for all matrix factorisations corresponding to rational boundary conditions in the SU(3)/U(2) model.

Matrix factorisations for rational boundary conditions by defect fusion

Energy Technology Data Exchange (ETDEWEB)

Behr, Nicolas [Department of Mathematics, Heriot-Watt University,Riccarton, Edinburgh, EH14 4AS (United Kingdom); Maxwell Institute for Mathematical Sciences,Edinburgh (United Kingdom); Fredenhagen, Stefan [Max-Planck-Institut für Gravitationsphysik, Albert-Einstein-Institut,D-14424 Golm (Germany)

2015-05-11

A large class of two-dimensional N=(2,2) superconformal field theories can be understood as IR fixed-points of Landau-Ginzburg models. In particular, there are rational conformal field theories that also have a Landau-Ginzburg description. To understand better the relation between the structures in the rational conformal field theory and in the Landau-Ginzburg theory, we investigate how rational B-type boundary conditions are realised as matrix factorisations in the SU(3)/U(2) Grassmannian Kazama-Suzuki model. As a tool to generate the matrix factorisations we make use of a particular interface between the Kazama-Suzuki model and products of minimal models, whose fusion can be realised as a simple functor on ring modules. This allows us to formulate a proposal for all matrix factorisations corresponding to rational boundary conditions in the SU(3)/U(2) model.

Comparison of mass transport using average and transient rainfall boundary conditions

International Nuclear Information System (INIS)

Duguid, J.O.; Reeves, M.

1976-01-01

A general two-dimensional model for simulation of saturated-unsaturated transport of radionuclides in ground water has been developed and is currently being tested. The model is being applied to study the transport of radionuclides from a waste-disposal site where field investigations are currently under way to obtain the necessary model parameters. A comparison of the amount of tritium transported is made using both average and transient rainfall boundary conditions. The simulations indicate that there is no substantial difference in the transport for the two conditions tested. However, the values of dispersivity used in the unsaturated zone caused more transport above the water table than has been observed under actual conditions. This deficiency should be corrected and further comparisons should be made before average rainfall boundary conditions are used for long-term transport simulations

Natural frequency analysis of fluid conveying pipeline with different boundary conditions

International Nuclear Information System (INIS)

Huang Yimin; Liu Yongshou; Li Baohui; Li Yanjiang; Yue Zhufeng

2010-01-01

In this study, the natural frequency of fluid-structure interaction in pipeline conveying fluid is investigated by eliminated element-Galerkin method, and the natural frequency equations with different boundary conditions are obtained. Furthermore, the expressions of first natural frequency are simplified in the case of different boundary conditions. Taking into account the Coriolis force, as an example, the natural frequency of a straight pipe simply supported at both ends is studied. In a given boundary condition, the four components (mass, stiffness, length and flow velocity) which relate to the natural frequency of pipeline conveying fluid are studied in detail and the results indicate that the effect of Coriolis force on natural frequency is inappreciable. Then the relationship between natural frequency of the pipeline conveying fluid and that of Euler beam is analyzed. Finally, a dimensionless flow velocity and limit values are presented, and they can be used to estimate the effect of the flow velocity on natural frequency. All the conclusions are well suited to nuclear plant and other industry fields.

Boundary conditions for free surface inlet and outlet problems

KAUST Repository

Taroni, M.; Breward, C. J. W.; Howell, P. D.; Oliver, J. M.

2012-01-01

We investigate and compare the boundary conditions that are to be applied to free-surface problems involving inlet and outlets of Newtonian fluid, typically found in coating processes. The flux of fluid is a priori known at an inlet, but unknown

Faceted shell structure in grain boundary diffusion-processed sintered Nd–Fe–B magnets

Energy Technology Data Exchange (ETDEWEB)

Seelam, U.M.R.; Ohkubo, T.; Abe, T.; Hirosawa, S.; Hono, K., E-mail: kazuhiro.hono@nims.go.jp

2014-12-25

Graphical abstract: The grain boundary diffusion process (GBDP) using a heavy rare earth elements (HRE) such as Dy and Tb is known as an effective method to enhance the coercivity of Nd–Fe–B sintered magnets without reducing remanence. This process has been industrially implemented to manufacture Nd–Fe–B based sintered magnets with high coercivity and high remanence. In this process, Dy is considered to diffuse through grain boundaries (GBs) to form (Nd{sub 1−x}Dy{sub x}){sub 2}Fe{sub 14}B shells surrounding the Nd{sub 2}Fe{sub 14}B grains and the higher anisotropy field of the Dy-rich shell is considered to suppress the nucleation of reverse domains at low magnetic field. Although there are several investigations on the microstructure of HRE GBDP Nd–Fe–B magnets, no paper addressed the origin of the asymmetric formation of HRE rich shells. Based on detailed analysis of facet planes of core/shell interfaces, we propose a mechanism of the faceted core/shell microstructure formation in the GBDP sintered magnets. We believe that this gives new insights on understanding the coercivity enhancement by the GBDP. - Highlights: • Faceting was observed at the interfaces of cores and shells. • The core/shell interfaces are sharp with an abrupt change in Dy concentration. • Meting occurs at the interfaces of metalic Nd-rich/Nd{sub 2}Fe{sub 14}B phases above 685 °C due to eutectic reaction. • Solidification of Dy-enriched liquid phase from 900 °C can result in the shell formation. - Abstract: Dysprosium enriched shell structure formed by the grain boundary diffusion process (GBDP) of a sintered Nd–Fe–B magnet was characterized by using scanning electron microscopy, electron back-scattered diffraction and transmission electron microscopy. Faceted core–shell interfaces with an abrupt change in Dy concentration suggest the Dy-rich shells are formed by the solidification of the liquid phase during cooling from the GBDP temperature. The Nd-rich phases

Diffusion Influenced Adsorption Kinetics.

Science.gov (United States)

Miura, Toshiaki; Seki, Kazuhiko

2015-08-27

When the kinetics of adsorption is influenced by the diffusive flow of solutes, the solute concentration at the surface is influenced by the surface coverage of solutes, which is given by the Langmuir-Hinshelwood adsorption equation. The diffusion equation with the boundary condition given by the Langmuir-Hinshelwood adsorption equation leads to the nonlinear integro-differential equation for the surface coverage. In this paper, we solved the nonlinear integro-differential equation using the Grünwald-Letnikov formula developed to solve fractional kinetics. Guided by the numerical results, analytical expressions for the upper and lower bounds of the exact numerical results were obtained. The upper and lower bounds were close to the exact numerical results in the diffusion- and reaction-controlled limits, respectively. We examined the validity of the two simple analytical expressions obtained in the diffusion-controlled limit. The results were generalized to include the effect of dispersive diffusion. We also investigated the effect of molecular rearrangement of anisotropic molecules on surface coverage.

Boundary Conditions, Data Assimilation, and Predictability in Coastal Ocean Models

National Research Council Canada - National Science Library

Samelson, Roger M; Allen, John S; Egbert, Gary D; Kindle, John C; Snyder, Chris

2007-01-01

...: The specific objectives of this research are to determine the impact on coastal ocean circulation models of open ocean boundary conditions from Global Ocean Data Assimilation Experiment (GODAE...

Neodymium ion diffusion during sintering of Nd : YAG transparent ceramics

Energy Technology Data Exchange (ETDEWEB)

Hollingsworth, Joel P; Kuntz, Joshua D; Soules, Thomas F [Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, CA, 94550 (United States)

2009-03-07

Using an electron microprobe, we measured and characterized the Nd{sup 3+} ion diffusion across a boundary between Nd doped and undoped ceramic yttrium aluminium garnet (YAG) for different temperature ramps and hold times and temperatures. The results show significant Nd ion diffusion on the order of micrometres to tens of micrometres depending on the time and temperature of sintering. The data fit well a model including bulk diffusion, grain boundary diffusion and grain growth. Grain boundary diffusion dominates and grain growth limits grain boundary diffusion by reducing the total cross-sectional area of grain boundaries. (fast track communication)

Rate-Independent Processes with Linear Growth Energies and Time-Dependent Boundary Conditions

Czech Academy of Sciences Publication Activity Database

Kružík, Martin; Zimmer, J.

2012-01-01

Roč. 5, č. 3 (2012), s. 591-604 ISSN 1937-1632 R&D Projects: GA AV ČR IAA100750802 Grant - others:GA ČR(CZ) GAP201/10/0357 Institutional research plan: CEZ:AV0Z10750506 Keywords : concentrations * oscillations * time - dependent boundary conditions * rate-independent evolution Subject RIV: BA - General Mathematics http://library.utia.cas.cz/separaty/2011/MTR/kruzik-rate-independent processes with linear growth energies and time - dependent boundary conditions.pdf

Reaction probability derived from an interpolation formula for diffusion processes with an absorptive boundary condition

International Nuclear Information System (INIS)

Misawa, T.; Itakura, H.

1995-01-01

The present article focuses on a dynamical simulation of molecular motion in liquids. In the simulation involving diffusion-controlled reaction with discrete time steps, lack of information regarding the trajectory within the time step may result in a failure to count the number of reactions of the particles within the step. In order to rectify this, an interpolated diffusion process is used. The process is derived from a stochastic interpolation formula recently developed by the first author [J. Math. Phys. 34, 775 (1993)]. In this method, the probability that reaction has occurred during the time step given the initial and final positions of the particles is calculated. Some numerical examples confirm that the theoretical result corresponds to an improvement over the Clifford-Green work [Mol. Phys. 57, 123 (1986)] on the same matter

Off-wall boundary conditions for turbulent flows obtained from buffer-layer minimal flow units

Science.gov (United States)

Garcia-Mayoral, Ricardo; Pierce, Brian; Wallace, James

2012-11-01

There is strong evidence that the transport processes in the buffer region of wall-bounded turbulence are common across various flow configurations, even in the embryonic turbulence in transition (Park et al., Phys. Fl. 24). We use this premise to develop off-wall boundary conditions for turbulent simulations. Boundary conditions are constructed from DNS databases using periodic minimal flow units and reduced order modeling. The DNS data was taken from a channel at Reτ = 400 and a zero-pressure gradient transitional boundary layer (Sayadi et al., submitted to J . FluidMech .) . Both types of boundary conditions were first tested on a DNS of the core of the channel flow with the aim of extending their application to LES and to spatially evolving flows. 2012 CTR Summer Program.

Initial-boundary value problems for multi-term time-fractional diffusion equations with x-dependent coefficients

OpenAIRE

Li, Zhiyuan; Huang, Xinchi; Yamamoto, Masahiro

2018-01-01

In this paper, we discuss an initial-boundary value problem (IBVP) for the multi-term time-fractional diffusion equation with x-dependent coefficients. By means of the Mittag-Leffler functions and the eigenfunction expansion, we reduce the IBVP to an equivalent integral equation to show the unique existence and the analyticity of the solution for the equation. Especially, in the case where all the coefficients of the time-fractional derivatives are non-negative, by the Laplace and inversion L...

Evidence of preferential diffusion and segregation of impurities at grain boundaries in very pure niobium used for radiofrequency cavities

International Nuclear Information System (INIS)

Antoine, C.; Bonin, B.; Safa, H.; Berthier, B.; Tessier, E.; Trocelier, P.; Chevarier, A.; Chevarier, N.; Roux, B.

1996-04-01

In order to overcome dissipation due to impurity segregation at grain boundary, niobium cavities are submitted to a purification annealing (1300 deg C ± 200 deg C under vacuum) during which titanium is evaporated onto the Nb surface. The resulting titanium layer acts as a solid state getter reacting with light impurities (H, C, N, O), thereby removing these impurities from the bulk of the niobium. Evidence of preferential titanium diffusion and segregation at grain boundaries has been studied using PIXE analysis induced by proton microbeam. (author)

Analysis of diffusive mass transport in a cracked buffer

International Nuclear Information System (INIS)

Garisto, N.C.; Garisto, F.

1989-11-01

In the disposal vault design for the Canadian Nuclear Fuel Waste Management Program, cylindrical containers of used nuclear fuel would be placed in vertical boreholes in rock and surrounded with a bentonite-based buffer material. The buffer is expected to absorb and/or retard radionuclides leaching from the fuel after the containers fail. There is some evidence, however, that the buffer may be susceptible to cracking. In this report we investigate numerically the consequences of cracking on uranium diffusion through the buffer. The derivation of the mass-transport equations and the numerical solution method are presented for the solubility-limited diffusion of uranium in a cracked buffer system for both swept-away and semi-impermeable boundary conditions at the rock-buffer interface. The results indicate that for swept-away boundary conditions the total uranium flux through the cracked buffer system is, as expected, greater than through the uncracked buffer. The effect of the cracks is strongly dependent on the ratio D/D eff , where D and D eff are the pore-water and the effective buffer diffusion coefficient, respectively. However, although a decrease in D eff enhances the effect of cracks on the total cumulative flux (relative to the uncracked buffer), it also decreases the total cumulative flux through the cracked buffer system (relative to a cracked buffer with a larger D eff value). Finally, for semi-impermeable boundary conditions, the effect of cracks on the total radionuclide flux is relatively small

Direct imaging of thermally-activated grain-boundary diffusion in Cu/Co/IrMn/Pt exchange-bias structures using atom-probe tomography

Energy Technology Data Exchange (ETDEWEB)

Letellier, F.; Lardé, R.; Le Breton, J.-M., E-mail: jean-marie.lebreton@univ-rouen.fr [Groupe de Physique des Matériaux, UMR 6634 CNRS/Université et INSA de Rouen, F-76801 Saint Etienne du Rouvray (France); Lechevallier, L. [Groupe de Physique des Matériaux, UMR 6634 CNRS/Université et INSA de Rouen, F-76801 Saint Etienne du Rouvray (France); Département de GEII, Université de Cergy-Pontoise, F-95031 Cergy-Pontoise (France); Akmaldinov, K. [SPINTEC, Univ. Grenoble-Alpes/CNRS/INAC-CEA, F-38000 Grenoble (France); CROCUS Technology, F-38025 Grenoble (France); Auffret, S.; Dieny, B.; Baltz, V., E-mail: vincent.baltz@cea.fr [SPINTEC, Univ. Grenoble-Alpes/CNRS/INAC-CEA, F-38000 Grenoble (France)

2014-11-28

Magnetic devices are often subject to thermal processing steps, such as field cooling to set exchange bias and annealing to crystallize amorphous magnetic electrodes. These processing steps may result in interdiffusion and the subsequent deterioration of magnetic properties. In this study, we investigated thermally-activated diffusion in Cu/Co/IrMn/Pt exchange biased polycrystalline thin-film structures using atom probe tomography. Images taken after annealing at 400 °C for 60 min revealed Mn diffusion into Co grains at the Co/IrMn interface and along Pt grain boundaries for the IrMn/Pt stack, i.e., a Harrison type C regime. Annealing at 500 °C showed further Mn diffusion into Co grains. At the IrMn/Pt interface, annealing at 500 °C led to a type B behavior since Mn diffusion was detected both along Pt grain boundaries and also into Pt grains. The deterioration of the films' exchange bias properties upon annealing was correlated to the observed diffusion. In particular, the topmost Pt capping layer thickness turned out to be crucial since a faster deterioration of the exchange bias properties for thicker caps was observed. This is consistent with the idea that Pt acts as a getter for Mn, drawing Mn out of the IrMn layer.

Lie and conditional symmetries of the three-component diffusive Lotka–Volterra system

International Nuclear Information System (INIS)

Cherniha, Roman; Davydovych, Vasyl’

2013-01-01

Lie and Q-conditional symmetries of the classical three-component diffusive Lotka–Volterra system in the case of one space variable are studied. The group-classification problems for finding Lie symmetries and Q-conditional symmetries of the first type are completely solved. Notably, non-Lie symmetries (Q-conditional symmetry operators) for a multi-component nonlinear reaction–diffusion system are constructed for the first time. The results are compared with those derived for the two-component diffusive Lotka–Volterra system. The conditional symmetry obtained for the non-Lie reduction of the three-component system used for modeling competition between three species in population dynamics is applied and the relevant exact solutions are found. Particularly, the exact solution describing different scenarios of competition between three species is constructed. (paper)

Fictitious domain methods for elliptic problems with general boundary conditions with an application to the numerical simulation of two phase flows; Methodes de domaine fictif pour des problemes elliptiques avec conditions aux limites generales en vue de la simulation numerique d'ecoulements diphasiques

Energy Technology Data Exchange (ETDEWEB)

Ramiere, I

2006-09-15

This work is dedicated to the introduction of two original fictitious domain methods for the resolution of elliptic problems (mainly convection-diffusion problems) with general and eventually mixed boundary conditions: Dirichlet, Robin or Neumann. The originality lies in the approximation of the immersed boundary by an approximate interface derived from the fictitious domain Cartesian mesh, which is generally not boundary-fitted to the physical domain. The same generic numerical scheme is used to impose the embedded boundary conditions. Hence, these methods require neither a surface mesh of the immersed boundary nor the local modification of the numerical scheme. We study two modelling of the immersed boundary. In the first one, called spread interface, the approximate immersed boundary is the union of the cells crossed by the physical immersed boundary. In the second one, called thin interface, the approximate immersed boundary lies on sides of mesh cells. Additional algebraic transmission conditions linking both flux and solution jumps through the thin approximate interface are introduced. The fictitious problem to solve as well as the treatment of the embedded boundary conditions are detailed for the two methods. A Q1 finite element scheme is implemented for the numerical validation of the spread interface approach while a new cell-centered finite volume scheme is derived for the thin interface approach with immersed jumps. Each method is then combined to multilevel local mesh refinement algorithms (with solution or flux residual) to increase the precision of the solution in the vicinity of the immersed interface. A convergence analysis of a Q1 finite element method with non-boundary fitted meshes is also presented. This study proves the convergence rates of the present methods. Among the various industrial applications, the simulation on a model of heat exchanger in french nuclear power plants enables us to appreciate the performances of the fictitious domain

Construction of the Nuclear Effective Interaction from Energy Eigenstates and Boundary Conditions

Science.gov (United States)

McElvain, Kenneth; Haxton, Wick

2017-01-01

The original Harmonic Oscillator Based Effective Theory (HOBET) work by Haxton and Luu reduced H = T +VNN , with VNN a realistic potential, to Heff in a small basis defined by projection operator P while correctly including all scattering by H through an excluded space Q. Scattering by T is analytically included to all orders, leaving the ET expansion focused on the short range VNN. Results do not depend on the size P as the effect of scattering through Q is fully included, also distinguishing HOBET from other methods. In this talk we abandon VNN and determine the LECs of the ET expansion from energy levels and boundary conditions. In the infinite volume continuum case every energy is an eigenvalue of H with an associated scattering state. In the LQCD context boundary conditions are periodic. In either case the ET LECs can be determined from energy, boundary condition pairs. We show that the Cartesian HO ET LECs can be expressed in terms of the spherical ones, giving a spherical, infinite volume ET, bypassing the use of Luscher's method. The approach cleanly isolates operator mixing induced by the finite box, sequestering effects that vanish in the continuum limit in a Green's function constrained to match the boundary conditions. Supported by the DOE under contracts DE-SC00046548 and DE-AC02-98CH10886.

A fast Cauchy-Riemann solver. [differential equation solution for boundary conditions by finite difference approximation

Science.gov (United States)

Ghil, M.; Balgovind, R.

1979-01-01

The inhomogeneous Cauchy-Riemann equations in a rectangle are discretized by a finite difference approximation. Several different boundary conditions are treated explicitly, leading to algorithms which have overall second-order accuracy. All boundary conditions with either u or v prescribed along a side of the rectangle can be treated by similar methods. The algorithms presented here have nearly minimal time and storage requirements and seem suitable for development into a general-purpose direct Cauchy-Riemann solver for arbitrary boundary conditions.