Scalar conservation and boundedness in simulations of compressible flow

NASA Astrophysics Data System (ADS)

Subbareddy, Pramod K.; Kartha, Anand; Candler, Graham V.

2017-11-01

With the proper combination of high-order, low-dissipation numerical methods, physics-based subgrid-scale models, and boundary conditions it is becoming possible to simulate many combustion flows at relevant conditions. However, non-premixed flows are a particular challenge because the thickness of the fuel/oxidizer interface scales inversely with Reynolds number. Sharp interfaces can also be present in the initial or boundary conditions. When higher-order numerical methods are used, there are often aphysical undershoots and overshoots in the scalar variables (e.g. passive scalars, species mass fractions or progress variable). These numerical issues are especially prominent when low-dissipation methods are used, since sharp jumps in flow variables are not always coincident with regions of strong variation in the scalar fields: consequently, special detection mechanisms and dissipative fluxes are needed. Most numerical methods diffuse the interface, resulting in artificial mixing and spurious reactions. In this paper, we propose a numerical method that mitigates this issue. We present methods for passive and active scalars, and demonstrate their effectiveness with several examples.

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

Subbareddy, Pramod K.; Kartha, Anand; Candler, Graham V.

With the proper combination of high-order, low-dissipation numerical methods, physics-based subgrid-scale models, and boundary conditions it is becoming possible to simulate many combustion flows at relevant conditions. However, non-premixed flows are a particular challenge because the thickness of the fuel/oxidizer interface scales inversely with Reynolds number. Sharp interfaces can also be present in the initial or boundary conditions. When higher-order numerical methods are used, there are often aphysical undershoots and overshoots in the scalar variables (e.g.passive scalars, species mass fractions or progress variable). These numerical issues are especially prominent when low-dissipation methods are used, since sharp jumps in flow variablesmore » are not always coincident with regions of strong variation in the scalar fields: consequently, special detection mechanisms and dissipative fluxes are needed. Most numerical methods diffuse the interface, resulting in artificial mixing and spurious reactions. In this paper, we propose a numerical method that mitigates this issue. As a result, we present methods for passive and active scalars, and demonstrate their effectiveness with several examples.« less

Some Aspects of Nonlinear Dynamics and CFD

NASA Technical Reports Server (NTRS)

Yee, Helen C.; Merriam, Marshal (Technical Monitor)

1996-01-01

The application of nonlinear dynamics to improve the understanding of numerical uncertainties in computational fluid dynamics (CFD) is reviewed. Elementary examples in the use of dynamics to explain the nonlinear phenomena and spurious behavior that occur in numerics are given. The role of dynamics in the understanding of long time behavior of numerical integrations and the nonlinear stability, convergence, and reliability of using time-marching approaches for obtaining steady-state numerical solutions in CFD is explained. The study is complemented with examples of spurious behavior observed in CFD computations.

Extensions to the instantaneous normal mode analysis of cluster dynamics: Diffusion constants and the role of rotations in clusters

NASA Astrophysics Data System (ADS)

Adams, John E.; Stratt, Richard M.

1990-08-01

For the instantaneous normal mode analysis method to be generally useful in studying the dynamics of clusters of arbitrary size, it ought to yield values of atomic self-diffusion constants which agree with those derived directly from molecular dynamics calculations. The present study proposes that such agreement indeed can be obtained if a sufficiently sophisticated formalism for computing the diffusion constant is adopted, such as the one suggested by Madan, Keyes, and Seeley [J. Chem. Phys. 92, 7565 (1990)]. In order to implement this particular formalism, however, we have found it necessary to pay particular attention to the removal from the computed spectra of spurious rotational contributions. The utility of the formalism is demonstrated via a study of small argon clusters, for which numerous results generated using other approaches are available. We find the same temperature dependence of the Ar13 self-diffusion constant that Beck and Marchioro [J. Chem. Phys. 93, 1347 (1990)] do from their direct calculation of the velocity autocorrelation function: The diffusion constant rises quickly from zero to a liquid-like value as the cluster goes through (the finite-size equivalent of) the melting transition.

An artificial nonlinear diffusivity method for supersonic reacting flows with shocks

NASA Astrophysics Data System (ADS)

Fiorina, B.; Lele, S. K.

2007-03-01

A computational approach for modeling interactions between shocks waves, contact discontinuities and reactions zones with a high-order compact scheme is investigated. To prevent the formation of spurious oscillations around shocks, artificial nonlinear viscosity [A.W. Cook, W.H. Cabot, A high-wavenumber viscosity for high resolution numerical method, J. Comput. Phys. 195 (2004) 594-601] based on high-order derivative of the strain rate tensor is used. To capture temperature and species discontinuities a nonlinear diffusivity based on the entropy gradient is added. It is shown that the damping of 'wiggles' is controlled by the model constants and is largely independent of the mesh size and the shock strength. The same holds for the numerical shock thickness and allows a determination of the L2 error. In the shock tube problem, with fluids of different initial entropy separated by the diaphragm, an artificial diffusivity is required to accurately capture the contact surface. Finally, the method is applied to a shock wave propagating into a medium with non-uniform density/entropy and to a CJ detonation wave. Multi-dimensional formulation of the model is presented and is illustrated by a 2D oblique wave reflection from an inviscid wall, by a 2D supersonic blunt body flow and by a Mach reflection problem.

Scalar conservation and boundedness in simulations of compressible flow

DOE PAGES

Subbareddy, Pramod K.; Kartha, Anand; Candler, Graham V.

2017-08-07

With the proper combination of high-order, low-dissipation numerical methods, physics-based subgrid-scale models, and boundary conditions it is becoming possible to simulate many combustion flows at relevant conditions. However, non-premixed flows are a particular challenge because the thickness of the fuel/oxidizer interface scales inversely with Reynolds number. Sharp interfaces can also be present in the initial or boundary conditions. When higher-order numerical methods are used, there are often aphysical undershoots and overshoots in the scalar variables (e.g.passive scalars, species mass fractions or progress variable). These numerical issues are especially prominent when low-dissipation methods are used, since sharp jumps in flow variablesmore » are not always coincident with regions of strong variation in the scalar fields: consequently, special detection mechanisms and dissipative fluxes are needed. Most numerical methods diffuse the interface, resulting in artificial mixing and spurious reactions. In this paper, we propose a numerical method that mitigates this issue. As a result, we present methods for passive and active scalars, and demonstrate their effectiveness with several examples.« less

Specimen Holder for Analytical Electron Microscopes

NASA Technical Reports Server (NTRS)

Clanton, U. S.; Isaacs, A. M.; Mackinnon, I.

1985-01-01

Reduces spectral contamination by spurious X-ray. Specimen holder made of compressed carbon, securely retains standard electron microscope grid (disk) 3 mm in diameter and absorbs backscattered electrons that otherwise generate spurious X-rays. Since holder inexpensive, dedicated to single specimen when numerous samples examined.

Dynamics of Numerics & Spurious Behaviors in CFD Computations. Revised

NASA Technical Reports Server (NTRS)

Yee, Helen C.; Sweby, Peter K.

1997-01-01

The global nonlinear behavior of finite discretizations for constant time steps and fixed or adaptive grid spacings is studied using tools from dynamical systems theory. Detailed analysis of commonly used temporal and spatial discretizations for simple model problems is presented. The role of dynamics in the understanding of long time behavior of numerical integration and the nonlinear stability, convergence, and reliability of using time-marching approaches for obtaining steady-state numerical solutions in computational fluid dynamics (CFD) is explored. The study is complemented with examples of spurious behavior observed in steady and unsteady CFD computations. The CFD examples were chosen to illustrate non-apparent spurious behavior that was difficult to detect without extensive grid and temporal refinement studies and some knowledge from dynamical systems theory. Studies revealed the various possible dangers of misinterpreting numerical simulation of realistic complex flows that are constrained by available computing power. In large scale computations where the physics of the problem under study is not well understood and numerical simulations are the only viable means of solution, extreme care must be taken in both computation and interpretation of the numerical data. The goal of this paper is to explore the important role that dynamical systems theory can play in the understanding of the global nonlinear behavior of numerical algorithms and to aid the identification of the sources of numerical uncertainties in CFD.

The critical angle in seismic interferometry

USGS Publications Warehouse

Van Wijk, K.; Calvert, A.; Haney, M.; Mikesell, D.; Snieder, R.

2008-01-01

Limitations with respect to the characteristics and distribution of sources are inherent to any field seismic experiment, but in seismic interferometry these lead to spurious waves. Instead of trying to eliminate, filter or otherwise suppress spurious waves, crosscorrelation of receivers in a refraction experiment indicate we can take advantage of spurious events for near-surface parameter extraction for static corrections or near-surface imaging. We illustrate this with numerical examples and a field experiment from the CSM/Boise State University Geophysics Field Camp.

The origin of spurious solutions in computational electromagnetics

NASA Technical Reports Server (NTRS)

Jiang, Bo-Nan; Wu, Jie; Povinelli, L. A.

1995-01-01

The origin of spurious solutions in computational electromagnetics, which violate the divergence equations, is deeply rooted in a misconception about the first-order Maxwell's equations and in an incorrect derivation and use of the curl-curl equations. The divergence equations must be always included in the first-order Maxwell's equations to maintain the ellipticity of the system in the space domain and to guarantee the uniqueness of the solution and/or the accuracy of the numerical solutions. The div-curl method and the least-squares method provide rigorous derivation of the equivalent second-order Maxwell's equations and their boundary conditions. The node-based least-squares finite element method (LSFEM) is recommended for solving the first-order full Maxwell equations directly. Examples of the numerical solutions by LSFEM for time-harmonic problems are given to demonstrate that the LSFEM is free of spurious solutions.

Numerical artifacts in the Generalized Porous Medium Equation: Why harmonic averaging itself is not to blame

NASA Astrophysics Data System (ADS)

Maddix, Danielle C.; Sampaio, Luiz; Gerritsen, Margot

2018-05-01

The degenerate parabolic Generalized Porous Medium Equation (GPME) poses numerical challenges due to self-sharpening and its sharp corner solutions. For these problems, we show results for two subclasses of the GPME with differentiable k (p) with respect to p, namely the Porous Medium Equation (PME) and the superslow diffusion equation. Spurious temporal oscillations, and nonphysical locking and lagging have been reported in the literature. These issues have been attributed to harmonic averaging of the coefficient k (p) for small p, and arithmetic averaging has been suggested as an alternative. We show that harmonic averaging is not solely responsible and that an improved discretization can mitigate these issues. Here, we investigate the causes of these numerical artifacts using modified equation analysis. The modified equation framework can be used for any type of discretization. We show results for the second order finite volume method. The observed problems with harmonic averaging can be traced to two leading error terms in its modified equation. This is also illustrated numerically through a Modified Harmonic Method (MHM) that can locally modify the critical terms to remove the aforementioned numerical artifacts.

Direct Numerical Simulation of Low Capillary Number Pore Scale Flows

NASA Astrophysics Data System (ADS)

Esmaeilzadeh, S.; Soulaine, C.; Tchelepi, H.

2017-12-01

The arrangement of void spaces and the granular structure of a porous medium determines multiple macroscopic properties of the rock such as porosity, capillary pressure, and relative permeability. Therefore, it is important to study the microscopic structure of the reservoir pores and understand the dynamics of fluid displacements through them. One approach for doing this, is direct numerical simulation of pore-scale flow that requires a robust numerical tool for prediction of fluid dynamics and a detailed understanding of the physical processes occurring at the pore-scale. In pore scale flows with a low capillary number, Eulerian multiphase methods are well-known to produce additional vorticity close to the interface. This is mainly due to discretization errors which lead to an imbalance of capillary pressure and surface tension forces that causes unphysical spurious currents. At the pore scale, these spurious currents can become significantly stronger than the average velocity in the phases, and lead to unphysical displacement of the interface. In this work, we first investigate the capability of the algebraic Volume of Fluid (VOF) method in OpenFOAM for low capillary number pore scale flow simulations. Afterward, we compare VOF results with a Coupled Level-Set Volume of Fluid (CLSVOF) method and Iso-Advector method. It has been shown that the former one reduces the VOF's unphysical spurious currents in some cases, and both are known to capture interfaces sharper than VOF. As the conclusion, we will investigate that whether the use of CLSVOF or Iso-Advector will lead to less spurious velocities and more accurate results for capillary driven pore-scale multiphase flows or not. Keywords: Pore-scale multiphase flow, Capillary driven flows, Spurious currents, OpenFOAM

A cost-effective strategy for nonoscillatory convection without clipping

NASA Technical Reports Server (NTRS)

Leonard, B. P.; Niknafs, H. S.

1990-01-01

Clipping of narrow extrema and distortion of smooth profiles is a well known problem associated with so-called high resolution nonoscillatory convection schemes. A strategy is presented for accurately simulating highly convective flows containing discontinuities such as density fronts or shock waves, without distorting smooth profiles or clipping narrow local extrema. The convection algorithm is based on non-artificially diffusive third-order upwinding in smooth regions, with automatic adaptive stencil expansion to (in principle, arbitrarily) higher order upwinding locally, in regions of rapidly changing gradients. This is highly cost effective because the wider stencil is used only where needed-in isolated narrow regions. A recently developed universal limiter assures sharp monotonic resolution of discontinuities without introducing artificial diffusion or numerical compression. An adaptive discriminator is constructed to distinguish between spurious overshoots and physical peaks; this automatically relaxes the limiter near local turning points, thereby avoiding loss of resolution in narrow extrema. Examples are given for one-dimensional pure convection of scalar profiles at constant velocity.

3D early embryogenesis image filtering by nonlinear partial differential equations.

PubMed

Krivá, Z; Mikula, K; Peyriéras, N; Rizzi, B; Sarti, A; Stasová, O

2010-08-01

We present nonlinear diffusion equations, numerical schemes to solve them and their application for filtering 3D images obtained from laser scanning microscopy (LSM) of living zebrafish embryos, with a goal to identify the optimal filtering method and its parameters. In the large scale applications dealing with analysis of 3D+time embryogenesis images, an important objective is a correct detection of the number and position of cell nuclei yielding the spatio-temporal cell lineage tree of embryogenesis. The filtering is the first and necessary step of the image analysis chain and must lead to correct results, removing the noise, sharpening the nuclei edges and correcting the acquisition errors related to spuriously connected subregions. In this paper we study such properties for the regularized Perona-Malik model and for the generalized mean curvature flow equations in the level-set formulation. A comparison with other nonlinear diffusion filters, like tensor anisotropic diffusion and Beltrami flow, is also included. All numerical schemes are based on the same discretization principles, i.e. finite volume method in space and semi-implicit scheme in time, for solving nonlinear partial differential equations. These numerical schemes are unconditionally stable, fast and naturally parallelizable. The filtering results are evaluated and compared first using the Mean Hausdorff distance between a gold standard and different isosurfaces of original and filtered data. Then, the number of isosurface connected components in a region of interest (ROI) detected in original and after the filtering is compared with the corresponding correct number of nuclei in the gold standard. Such analysis proves the robustness and reliability of the edge preserving nonlinear diffusion filtering for this type of data and lead to finding the optimal filtering parameters for the studied models and numerical schemes. Further comparisons consist in ability of splitting the very close objects which are artificially connected due to acquisition error intrinsically linked to physics of LSM. In all studied aspects it turned out that the nonlinear diffusion filter which is called geodesic mean curvature flow (GMCF) has the best performance. Copyright 2010 Elsevier B.V. All rights reserved.

A Dual Mode BPF with Improved Spurious Response Using DGS Cells Embedded on the Ground Plane of CPW

NASA Astrophysics Data System (ADS)

Weng, Min-Hang; Ye, Chang-Sin; Hung, Cheng-Yuan; Huang, Chun-Yueh

A novel dual mode bandpass filter (BPF) with improved spurious response is presented in this letter. To obtain low insertion loss, the coupling structure using the dual mode resonator and the feeding scheme using coplanar-waveguide (CPW) are constructed on the two sides of a dielectric substrate. A defected ground structure (DGS) is designed on the ground plane of the CPW to achieve the goal of spurious suppression of the filter. The filter has been investigated numerically and experimentally. Measured results show a good agreement with the simulated analysis.

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

NASA Astrophysics Data System (ADS)

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 proposed diffuse interface immersed boundary method is shown to be discretely mass-preserving while being temporally second-order accurate and exhibits nominal second-order accuracy in space. We examine the efficacy of the proposed approach through extensive numerical experiments involving one or more fluids and solids, that include two-particle sedimentation in homogeneous and stratified environment. The results from the numerical simulations show that the proposed methodology results in reduced spurious force oscillations in case of moving bodies while accurately resolving complex flow phenomena in multiphase flows with moving solids. These studies demonstrate that the proposed diffuse interface immersed boundary method, which could be related to a class of penalisation approaches, is a robust and promising alternative to computationally expensive conformal moving mesh algorithms as well as the class of sharp interface immersed boundary methods for multibody problems in multi-phase flows.

Spurious Grain Formation at Cross-Sectional Expansion During Directional Solidification: Influence of Thermosolutal Convection

NASA Astrophysics Data System (ADS)

Ghods, M.; Lauer, M.; Upadhyay, S. R.; Grugel, R. N.; Tewari, S. N.; Poirier, D. R.

2018-04-01

Formation of spurious grains during directional solidification (DS) of Al-7 wt.% Si and Al-19 wt.% Cu alloys through an abrupt increase in cross-sectional area has been examined by experiments and by numerical simulations. Stray grains were observed in the Al-19 wt.% Cu samples and almost none in the Al-7 wt.% Si. The locations of the stray grains correlate well where numerical solutions indicate the solute-rich melt to be flowing up the thermal gradient faster than the isotherm velocity. It is proposed that the spurious grain formation occurred by fragmentation of slender tertiary dendrite arms was enhanced by thermosolutal convection. In Al-7 wt.% Si, the dendrite fragments sink in the surrounding melt and get trapped in the dendritic array growing around them, and therefore they do not grow further. In the Al-19 wt.% Cu alloy, on the other hand, the dendrite fragments float in the surrounding melt and some find conducive thermal conditions for further growth and become stray grains.

Massive black hole and gas dynamics in galaxy nuclei mergers - I. Numerical implementation

NASA Astrophysics Data System (ADS)

Lupi, Alessandro; Haardt, Francesco; Dotti, Massimo

2015-01-01

Numerical effects are known to plague adaptive mesh refinement (AMR) codes when treating massive particles, e.g. representing massive black holes (MBHs). In an evolving background, they can experience strong, spurious perturbations and then follow unphysical orbits. We study by means of numerical simulations the dynamical evolution of a pair MBHs in the rapidly and violently evolving gaseous and stellar background that follows a galaxy major merger. We confirm that spurious numerical effects alter the MBH orbits in AMR simulations, and show that numerical issues are ultimately due to a drop in the spatial resolution during the simulation, drastically reducing the accuracy in the gravitational force computation. We therefore propose a new refinement criterion suited for massive particles, able to solve in a fast and precise way for their orbits in highly dynamical backgrounds. The new refinement criterion we designed enforces the region around each massive particle to remain at the maximum resolution allowed, independently upon the local gas density. Such maximally resolved regions then follow the MBHs along their orbits, and effectively avoids all spurious effects caused by resolution changes. Our suite of high-resolution, AMR hydrodynamic simulations, including different prescriptions for the sub-grid gas physics, shows that the new refinement implementation has the advantage of not altering the physical evolution of the MBHs, accounting for all the non-trivial physical processes taking place in violent dynamical scenarios, such as the final stages of a galaxy major merger.

Computations of spray, fuel-air mixing, and combustion in a lean-premixed-prevaporized combustor

NASA Technical Reports Server (NTRS)

Dasgupta, A.; Li, Z.; Shih, T. I.-P.; Kundu, K.; Deur, J. M.

1993-01-01

A code was developed for computing the multidimensional flow, spray, combustion, and pollutant formation inside gas turbine combustors. The code developed is based on a Lagrangian-Eulerian formulation and utilizes an implicit finite-volume method. The focus of this paper is on the spray part of the code (both formulation and algorithm), and a number of issues related to the computation of sprays and fuel-air mixing in a lean-premixed-prevaporized combustor. The issues addressed include: (1) how grid spacings affect the diffusion of evaporated fuel, and (2) how spurious modes can arise through modelling of the spray in the Lagrangian computations. An upwind interpolation scheme is proposed to account for some effects of grid spacing on the artificial diffusion of the evaporated fuel. Also, some guidelines are presented to minimize errors associated with the spurious modes.

Analysis of spurious oscillation modes for the shallow water and Navier-Stokes equations

USGS Publications Warehouse

Walters, R.A.; Carey, G.F.

1983-01-01

The origin and nature of spurious oscillation modes that appear in mixed finite element methods are examined. In particular, the shallow water equations are considered and a modal analysis for the one-dimensional problem is developed. From the resulting dispersion relations we find that the spurious modes in elevation are associated with zero frequency and large wave number (wavelengths of the order of the nodal spacing) and consequently are zero-velocity modes. The spurious modal behavior is the result of the finite spatial discretization. By means of an artificial compressibility and limiting argument we are able to resolve the similar problem for the Navier-Stokes equations. The relationship of this simpler analysis to alternative consistency arguments is explained. This modal approach provides an explanation of the phenomenon in question and permits us to deduce the cause of the very complex behavior of spurious modes observed in numerical experiments with the shallow water equations and Navier-Stokes equations. Furthermore, this analysis is not limited to finite element formulations, but is also applicable to finite difference formulations. ?? 1983.

On the eddy-resolving capability of high-order discontinuous Galerkin approaches to implicit LES / under-resolved DNS of Euler turbulence

NASA Astrophysics Data System (ADS)

Moura, R. C.; Mengaldo, G.; Peiró, J.; Sherwin, S. J.

2017-02-01

We present estimates of spectral resolution power for under-resolved turbulent Euler flows obtained with high-order discontinuous Galerkin (DG) methods. The '1% rule' based on linear dispersion-diffusion analysis introduced by Moura et al. (2015) [10] is here adapted for 3D energy spectra and validated through the inviscid Taylor-Green vortex problem. The 1% rule estimates the wavenumber beyond which numerical diffusion induces an artificial dissipation range on measured energy spectra. As the original rule relies on standard upwinding, different Riemann solvers are tested. Very good agreement is found for solvers which treat the different physical waves in a consistent manner. Relatively good agreement is still found for simpler solvers. The latter however displayed spurious features attributed to the inconsistent treatment of different physical waves. It is argued that, in the limit of vanishing viscosity, such features might have a significant impact on robustness and solution quality. The estimates proposed are regarded as useful guidelines for no-model DG-based simulations of free turbulence at very high Reynolds numbers.

An oscillation-free flow solver based on flux reconstruction

NASA Astrophysics Data System (ADS)

Aguerre, Horacio J.; Pairetti, Cesar I.; Venier, Cesar M.; Márquez Damián, Santiago; Nigro, Norberto M.

2018-07-01

In this paper, a segregated algorithm is proposed to suppress high-frequency oscillations in the velocity field for incompressible flows. In this context, a new velocity formula based on a reconstruction of face fluxes is defined eliminating high-frequency errors. In analogy to the Rhie-Chow interpolation, this approach is equivalent to including a flux-based pressure gradient with a velocity diffusion in the momentum equation. In order to guarantee second-order accuracy of the numerical solver, a set of conditions are defined for the reconstruction operator. To arrive at the final formulation, an outlook over the state of the art regarding velocity reconstruction procedures is presented comparing them through an error analysis. A new operator is then obtained by means of a flux difference minimization satisfying the required spatial accuracy. The accuracy of the new algorithm is analyzed by performing mesh convergence studies for unsteady Navier-Stokes problems with analytical solutions. The stabilization properties of the solver are then tested in a problem where spurious numerical oscillations arise for the velocity field. The results show a remarkable performance of the proposed technique eliminating high-frequency errors without losing accuracy.

Energy Models for One-Carrier Transport in Semiconductor Devices

NASA Technical Reports Server (NTRS)

Jerome, Joseph W.; Shu, Chi-Wang

1991-01-01

Moment models of carrier transport, derived from the Boltzmann equation, made possible the simulation of certain key effects through such realistic assumptions as energy dependent mobility functions. This type of global dependence permits the observation of velocity overshoot in the vicinity of device junctions, not discerned via classical drift-diffusion models, which are primarily local in nature. It was found that a critical role is played in the hydrodynamic model by the heat conduction term. When ignored, the overshoot is inappropriately damped. When the standard choice of the Wiedemann-Franz law is made for the conductivity, spurious overshoot is observed. Agreement with Monte-Carlo simulation in this regime required empirical modification of this law, or nonstandard choices. Simulations of the hydrodynamic model in one and two dimensions, as well as simulations of a newly developed energy model, the RT model, are presented. The RT model, intermediate between the hydrodynamic and drift-diffusion model, was developed to eliminate the parabolic energy band and Maxwellian distribution assumptions, and to reduce the spurious overshoot with physically consistent assumptions. The algorithms employed for both models are the essentially non-oscillatory shock capturing algorithms. Some mathematical results are presented and contrasted with the highly developed state of the drift-diffusion model.

Predicting missing links and identifying spurious links via likelihood analysis

NASA Astrophysics Data System (ADS)

Pan, Liming; Zhou, Tao; Lü, Linyuan; Hu, Chin-Kun

2016-03-01

Real network data is often incomplete and noisy, where link prediction algorithms and spurious link identification algorithms can be applied. Thus far, it lacks a general method to transform network organizing mechanisms to link prediction algorithms. Here we use an algorithmic framework where a network’s probability is calculated according to a predefined structural Hamiltonian that takes into account the network organizing principles, and a non-observed link is scored by the conditional probability of adding the link to the observed network. Extensive numerical simulations show that the proposed algorithm has remarkably higher accuracy than the state-of-the-art methods in uncovering missing links and identifying spurious links in many complex biological and social networks. Such method also finds applications in exploring the underlying network evolutionary mechanisms.

High order filtering methods for approximating hyberbolic systems of conservation laws

NASA Technical Reports Server (NTRS)

Lafon, F.; Osher, S.

1990-01-01

In the computation of discontinuous solutions of hyperbolic systems of conservation laws, the recently developed essentially non-oscillatory (ENO) schemes appear to be very useful. However, they are computationally costly compared to simple central difference methods. A filtering method which is developed uses simple central differencing of arbitrarily high order accuracy, except when a novel local test indicates the development of spurious oscillations. At these points, the full ENO apparatus is used, maintaining the high order of accuracy, but removing spurious oscillations. Numerical results indicate the success of the method. High order of accuracy was obtained in regions of smooth flow without spurious oscillations for a wide range of problems and a significant speed up of generally a factor of almost three over the full ENO method.

Predicting missing links and identifying spurious links via likelihood analysis

PubMed Central

Pan, Liming; Zhou, Tao; Lü, Linyuan; Hu, Chin-Kun

2016-01-01

Real network data is often incomplete and noisy, where link prediction algorithms and spurious link identification algorithms can be applied. Thus far, it lacks a general method to transform network organizing mechanisms to link prediction algorithms. Here we use an algorithmic framework where a network’s probability is calculated according to a predefined structural Hamiltonian that takes into account the network organizing principles, and a non-observed link is scored by the conditional probability of adding the link to the observed network. Extensive numerical simulations show that the proposed algorithm has remarkably higher accuracy than the state-of-the-art methods in uncovering missing links and identifying spurious links in many complex biological and social networks. Such method also finds applications in exploring the underlying network evolutionary mechanisms. PMID:26961965

Numerical analysis of a high-order unstructured overset grid method for compressible LES of turbomachinery

NASA Astrophysics Data System (ADS)

de Laborderie, J.; Duchaine, F.; Gicquel, L.; Vermorel, O.; Wang, G.; Moreau, S.

2018-06-01

Large-Eddy Simulation (LES) is recognized as a promising method for high-fidelity flow predictions in turbomachinery applications. The presented approach consists of the coupling of several instances of the same LES unstructured solver through an overset grid method. A high-order interpolation, implemented within this coupling method, is introduced and evaluated on several test cases. It is shown to be third order accurate, to preserve the accuracy of various second and third order convective schemes and to ensure the continuity of diffusive fluxes and subgrid scale tensors even in detrimental interface configurations. In this analysis, three types of spurious waves generated at the interface are identified. They are significantly reduced by the high-order interpolation at the interface. The latter having the same cost as the original lower order method, the high-order overset grid method appears as a promising alternative to be used in all the applications.

Wavelet-based Adaptive Mesh Refinement Method for Global Atmospheric Chemical Transport Modeling

NASA Astrophysics Data System (ADS)

Rastigejev, Y.

2011-12-01

Numerical modeling of global atmospheric chemical transport presents enormous computational difficulties, associated with simulating a wide range of time and spatial scales. The described difficulties are exacerbated by the fact that hundreds of chemical species and thousands of chemical reactions typically are used for chemical kinetic mechanism description. These computational requirements very often forces researches to use relatively crude quasi-uniform numerical grids with inadequate spatial resolution that introduces significant numerical diffusion into the system. It was shown that this spurious diffusion significantly distorts the pollutant mixing and transport dynamics for typically used grid resolution. The described numerical difficulties have to be systematically addressed considering that the demand for fast, high-resolution chemical transport models will be exacerbated over the next decade by the need to interpret satellite observations of tropospheric ozone and related species. In this study we offer dynamically adaptive multilevel Wavelet-based Adaptive Mesh Refinement (WAMR) method for numerical modeling of atmospheric chemical evolution equations. The adaptive mesh refinement is performed by adding and removing finer levels of resolution in the locations of fine scale development and in the locations of smooth solution behavior accordingly. The algorithm is based on the mathematically well established wavelet theory. This allows us to provide error estimates of the solution that are used in conjunction with an appropriate threshold criteria to adapt the non-uniform grid. Other essential features of the numerical algorithm include: an efficient wavelet spatial discretization that allows to minimize the number of degrees of freedom for a prescribed accuracy, a fast algorithm for computing wavelet amplitudes, and efficient and accurate derivative approximations on an irregular grid. The method has been tested for a variety of benchmark problems including numerical simulation of transpacific traveling pollution plumes. The generated pollution plumes are diluted due to turbulent mixing as they are advected downwind. Despite this dilution, it was recently discovered that pollution plumes in the remote troposphere can preserve their identity as well-defined structures for two weeks or more as they circle the globe. Present Global Chemical Transport Models (CTMs) implemented for quasi-uniform grids are completely incapable of reproducing these layered structures due to high numerical plume dilution caused by numerical diffusion combined with non-uniformity of atmospheric flow. It is shown that WAMR algorithm solutions of comparable accuracy as conventional numerical techniques are obtained with more than an order of magnitude reduction in number of grid points, therefore the adaptive algorithm is capable to produce accurate results at a relatively low computational cost. The numerical simulations demonstrate that WAMR algorithm applied the traveling plume problem accurately reproduces the plume dynamics unlike conventional numerical methods that utilizes quasi-uniform numerical grids.

A locally conservative non-negative finite element formulation for anisotropic advective-diffusive-reactive systems

NASA Astrophysics Data System (ADS)

Mudunuru, M. K.; Shabouei, M.; Nakshatrala, K.

2015-12-01

Advection-diffusion-reaction (ADR) equations appear in various areas of life sciences, hydrogeological systems, and contaminant transport. Obtaining stable and accurate numerical solutions can be challenging as the underlying equations are coupled, nonlinear, and non-self-adjoint. Currently, there is neither a robust computational framework available nor a reliable commercial package known that can handle various complex situations. Herein, the objective of this poster presentation is to present a novel locally conservative non-negative finite element formulation that preserves the underlying physical and mathematical properties of a general linear transient anisotropic ADR equation. In continuous setting, governing equations for ADR systems possess various important properties. In general, all these properties are not inherited during finite difference, finite volume, and finite element discretizations. The objective of this poster presentation is two fold: First, we analyze whether the existing numerical formulations (such as SUPG and GLS) and commercial packages provide physically meaningful values for the concentration of the chemical species for various realistic benchmark problems. Furthermore, we also quantify the errors incurred in satisfying the local and global species balance for two popular chemical kinetics schemes: CDIMA (chlorine dioxide-iodine-malonic acid) and BZ (Belousov--Zhabotinsky). Based on these numerical simulations, we show that SUPG and GLS produce unphysical values for concentration of chemical species due to the violation of the non-negative constraint, contain spurious node-to-node oscillations, and have large errors in local and global species balance. Second, we proposed a novel finite element formulation to overcome the above difficulties. The proposed locally conservative non-negative computational framework based on low-order least-squares finite elements is able to preserve these underlying physical and mathematical properties. Several representative numerical examples are discussed to illustrate the importance of the proposed numerical formulations to accurately describe various aspects of mixing process in chaotic flows and to simulate transport in highly heterogeneous anisotropic media.

The Osher scheme for non-equilibrium reacting flows

NASA Technical Reports Server (NTRS)

Suresh, Ambady; Liou, Meng-Sing

1992-01-01

An extension of the Osher upwind scheme to nonequilibrium reacting flows is presented. Owing to the presence of source terms, the Riemann problem is no longer self-similar and therefore its approximate solution becomes tedious. With simplicity in mind, a linearized approach which avoids an iterative solution is used to define the intermediate states and sonic points. The source terms are treated explicitly. Numerical computations are presented to demonstrate the feasibility, efficiency and accuracy of the proposed method. The test problems include a ZND (Zeldovich-Neumann-Doring) detonation problem for which spurious numerical solutions which propagate at mesh speed have been observed on coarse grids. With the present method, a change of limiter causes the solution to change from the physically correct CJ detonation solution to the spurious weak detonation solution.

The numerical dynamic for highly nonlinear partial differential equations

NASA Technical Reports Server (NTRS)

Lafon, A.; Yee, H. C.

1992-01-01

Problems associated with the numerical computation of highly nonlinear equations in computational fluid dynamics are set forth and analyzed in terms of the potential ranges of spurious behaviors. A reaction-convection equation with a nonlinear source term is employed to evaluate the effects related to spatial and temporal discretizations. The discretization of the source term is described according to several methods, and the various techniques are shown to have a significant effect on the stability of the spurious solutions. Traditional linearized stability analyses cannot provide the level of confidence required for accurate fluid dynamics computations, and the incorporation of nonlinear analysis is proposed. Nonlinear analysis based on nonlinear dynamical systems complements the conventional linear approach and is valuable in the analysis of hypersonic aerodynamics and combustion phenomena.

Upwind schemes and bifurcating solutions in real gas computations

NASA Technical Reports Server (NTRS)

Suresh, Ambady; Liou, Meng-Sing

1992-01-01

The area of high speed flow is seeing a renewed interest due to advanced propulsion concepts such as the National Aerospace Plane (NASP), Space Shuttle, and future civil transport concepts. Upwind schemes to solve such flows have become increasingly popular in the last decade due to their excellent shock capturing properties. In the first part of this paper the authors present the extension of the Osher scheme to equilibrium and non-equilibrium gases. For simplicity, the source terms are treated explicitly. Computations based on the above scheme are presented to demonstrate the feasibility, accuracy and efficiency of the proposed scheme. One of the test problems is a Chapman-Jouguet detonation problem for which numerical solutions have been known to bifurcate into spurious weak detonation solutions on coarse grids. Results indicate that the numerical solution obtained depends both on the upwinding scheme used and the limiter employed to obtain second order accuracy. For example, the Osher scheme gives the correct CJ solution when the super-bee limiter is used, but gives the spurious solution when the Van Leer limiter is used. With the Roe scheme the spurious solution is obtained for all limiters.

Numerical investigation of the pseudopotential lattice Boltzmann modeling of liquid-vapor for multi-phase flows

NASA Astrophysics Data System (ADS)

Nemati, Maedeh; Shateri Najaf Abady, Ali Reza; Toghraie, Davood; Karimipour, Arash

2018-01-01

The incorporation of different equations of state into single-component multiphase lattice Boltzmann model is considered in this paper. The original pseudopotential model is first detailed, and several cubic equations of state, the Redlich-Kwong, Redlich-Kwong-Soave, and Peng-Robinson are then incorporated into the lattice Boltzmann model. A comparison of the numerical simulation achievements on the basis of density ratios and spurious currents is used for presentation of the details of phase separation in these non-ideal single-component systems. The paper demonstrates that the scheme for the inter-particle interaction force term as well as the force term incorporation method matters to achieve more accurate and stable results. The velocity shifting method is demonstrated as the force term incorporation method, among many, with accuracy and stability results. Kupershtokh scheme also makes it possible to achieve large density ratio (up to 104) and to reproduce the coexistence curve with high accuracy. Significant reduction of the spurious currents at vapor-liquid interface is another observation. High-density ratio and spurious current reduction resulted from the Redlich-Kwong-Soave and Peng-Robinson EOSs, in higher accordance with the Maxwell construction results.

The analysis of delays in simulator digital computing systems. Volume 1: Formulation of an analysis approach using a central example simulator model

NASA Technical Reports Server (NTRS)

Heffley, R. K.; Jewell, W. F.; Whitbeck, R. F.; Schulman, T. M.

1980-01-01

The effects of spurious delays in real time digital computing systems are examined. Various sources of spurious delays are defined and analyzed using an extant simulator system as an example. A specific analysis procedure is set forth and four cases are viewed in terms of their time and frequency domain characteristics. Numerical solutions are obtained for three single rate one- and two-computer examples, and the analysis problem is formulated for a two-rate, two-computer example.

High Order Finite Difference Methods with Subcell Resolution for 2D Detonation Waves

NASA Technical Reports Server (NTRS)

Wang, W.; Shu, C. W.; Yee, H. C.; Sjogreen, B.

2012-01-01

In simulating hyperbolic conservation laws in conjunction with an inhomogeneous stiff source term, if the solution is discontinuous, spurious numerical results may be produced due to different time scales of the transport part and the source term. This numerical issue often arises in combustion and high speed chemical reacting flows.

Edge Probability and Pixel Relativity-Based Speckle Reducing Anisotropic Diffusion.

PubMed

Mishra, Deepak; Chaudhury, Santanu; Sarkar, Mukul; Soin, Arvinder Singh; Sharma, Vivek

2018-02-01

Anisotropic diffusion filters are one of the best choices for speckle reduction in the ultrasound images. These filters control the diffusion flux flow using local image statistics and provide the desired speckle suppression. However, inefficient use of edge characteristics results in either oversmooth image or an image containing misinterpreted spurious edges. As a result, the diagnostic quality of the images becomes a concern. To alleviate such problems, a novel anisotropic diffusion-based speckle reducing filter is proposed in this paper. A probability density function of the edges along with pixel relativity information is used to control the diffusion flux flow. The probability density function helps in removing the spurious edges and the pixel relativity reduces the oversmoothing effects. Furthermore, the filtering is performed in superpixel domain to reduce the execution time, wherein a minimum of 15% of the total number of image pixels can be used. For performance evaluation, 31 frames of three synthetic images and 40 real ultrasound images are used. In most of the experiments, the proposed filter shows a better performance as compared to the state-of-the-art filters in terms of the speckle region's signal-to-noise ratio and mean square error. It also shows a comparative performance for figure of merit and structural similarity measure index. Furthermore, in the subjective evaluation, performed by the expert radiologists, the proposed filter's outputs are preferred for the improved contrast and sharpness of the object boundaries. Hence, the proposed filtering framework is suitable to reduce the unwanted speckle and improve the quality of the ultrasound images.

Some effects of horizontal discretization on linear baroclinic and symmetric instabilities

NASA Astrophysics Data System (ADS)

Barham, William; Bachman, Scott; Grooms, Ian

2018-05-01

The effects of horizontal discretization on linear baroclinic and symmetric instabilities are investigated by analyzing the behavior of the hydrostatic Eady problem in ocean models on the B and C grids. On the C grid a spurious baroclinic instability appears at small wavelengths. This instability does not disappear as the grid scale decreases; instead, it simply moves to smaller horizontal scales. The peak growth rate of the spurious instability is independent of the grid scale as the latter decreases. It is equal to cf /√{Ri} where Ri is the balanced Richardson number, f is the Coriolis parameter, and c is a nondimensional constant that depends on the Richardson number. As the Richardson number increases c increases towards an upper bound of approximately 1/2; for large Richardson numbers the spurious instability is faster than the Eady instability. To suppress the spurious instability it is recommended to use fourth-order centered tracer advection along with biharmonic viscosity and diffusion with coefficients (Δx) 4 f /(32√{Ri}) or larger where Δx is the grid scale. On the B grid, the growth rates of baroclinic and symmetric instabilities are too small, and converge upwards towards the correct values as the grid scale decreases; no spurious instabilities are observed. In B grid models at eddy-permitting resolution, the reduced growth rate of baroclinic instability may contribute to partially-resolved eddies being too weak. On the C grid the growth rate of symmetric instability is better (larger) than on the B grid, and converges upwards towards the correct value as the grid scale decreases.

An oscillation free shock-capturing method for compressible van der Waals supercritical fluid flows

DOE PAGES

Pantano, C.; Saurel, R.; Schmitt, T.

2017-02-01

Numerical solutions of the Euler equations using real gas equations of state (EOS) often exhibit serious inaccuracies. The focus here is the van der Waals EOS and its variants (often used in supercritical fluid computations). The problems are not related to a lack of convexity of the EOS since the EOS are considered in their domain of convexity at any mesh point and at any time. The difficulties appear as soon as a density discontinuity is present with the rest of the fluid in mechanical equilibrium and typically result in spurious pressure and velocity oscillations. This is reminiscent of well-knownmore » pressure oscillations occurring with ideal gas mixtures when a mass fraction discontinuity is present, which can be interpreted as a discontinuity in the EOS parameters. We are concerned with pressure oscillations that appear just for a single fluid each time a density discontinuity is present. As a result, the combination of density in a nonlinear fashion in the EOS with diffusion by the numerical method results in violation of mechanical equilibrium conditions which are not easy to eliminate, even under grid refinement.« less

An oscillation free shock-capturing method for compressible van der Waals supercritical fluid flows

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

Pantano, C.; Saurel, R.; Schmitt, T.

Numerical solutions of the Euler equations using real gas equations of state (EOS) often exhibit serious inaccuracies. The focus here is the van der Waals EOS and its variants (often used in supercritical fluid computations). The problems are not related to a lack of convexity of the EOS since the EOS are considered in their domain of convexity at any mesh point and at any time. The difficulties appear as soon as a density discontinuity is present with the rest of the fluid in mechanical equilibrium and typically result in spurious pressure and velocity oscillations. This is reminiscent of well-knownmore » pressure oscillations occurring with ideal gas mixtures when a mass fraction discontinuity is present, which can be interpreted as a discontinuity in the EOS parameters. We are concerned with pressure oscillations that appear just for a single fluid each time a density discontinuity is present. As a result, the combination of density in a nonlinear fashion in the EOS with diffusion by the numerical method results in violation of mechanical equilibrium conditions which are not easy to eliminate, even under grid refinement.« less

Model reduction and frequency residuals for a robust estimation of nonlinearities in subspace identification

NASA Astrophysics Data System (ADS)

De Filippis, G.; Noël, J. P.; Kerschen, G.; Soria, L.; Stephan, C.

2017-09-01

The introduction of the frequency-domain nonlinear subspace identification (FNSI) method in 2013 constitutes one in a series of recent attempts toward developing a realistic, first-generation framework applicable to complex structures. If this method showed promising capabilities when applied to academic structures, it is still confronted with a number of limitations which needs to be addressed. In particular, the removal of nonphysical poles in the identified nonlinear models is a distinct challenge. In the present paper, it is proposed as a first contribution to operate directly on the identified state-space matrices to carry out spurious pole removal. A modal-space decomposition of the state and output matrices is examined to discriminate genuine from numerical poles, prior to estimating the extended input and feedthrough matrices. The final state-space model thus contains physical information only and naturally leads to nonlinear coefficients free of spurious variations. Besides spurious variations due to nonphysical poles, vibration modes lying outside the frequency band of interest may also produce drifts of the nonlinear coefficients. The second contribution of the paper is to include residual terms, accounting for the existence of these modes. The proposed improved FNSI methodology is validated numerically and experimentally using a full-scale structure, the Morane-Saulnier Paris aircraft.

Computational Aeroacoustics: An Overview

NASA Technical Reports Server (NTRS)

Tam, Christopher K. W.

2003-01-01

An overview of recent advances in computational aeroacoustics (CAA) is presented. CAA algorithms must not be dispersive and dissipative. It should propagate waves supported by the Euler equations with the correct group velocities. Computation domains are inevitably finite in size. To avoid the reflection of acoustic and other outgoing waves at the boundaries of the computation domain, it is required that special boundary conditions be imposed at the boundary region. These boundary conditions either absorb all the outgoing waves without reflection or allow the waves to exit smoothly. High-order schemes, invariably, supports spurious short waves. These spurious waves tend to pollute the numerical solution. They must be selectively damped or filtered out. All these issues and relevant computation methods are briefly reviewed. Jet screech tones are known to have caused structural fatigue in military combat aircrafts. Numerical simulation of the jet screech phenomenon is presented as an example of a successful application of CAA.

Spintronics: spin accumulation in mesoscopic systems.

PubMed

Johnson, Mark

2002-04-25

In spintronics, in which use is made of the spin degree of freedom of the electron, issues concerning electrical spin injection and detection of electron spin diffusion are fundamentally important. Jedema et al. describe a magneto-resistance study in which they claim to have observed spin accumulation in a mesoscopic copper wire, but their one-dimensional model ignores two-dimensional spin-diffusion effects, which casts doubt on their analysis. A two-dimensional vector formalism of spin transport is called for to model spin-injection experiments, and the identification of spurious background resistance effects is crucial.

A comprehensive comparison of network similarities for link prediction and spurious link elimination

NASA Astrophysics Data System (ADS)

Zhang, Peng; Qiu, Dan; Zeng, An; Xiao, Jinghua

2018-06-01

Identifying missing interactions in complex networks, known as link prediction, is realized by estimating the likelihood of the existence of a link between two nodes according to the observed links and nodes' attributes. Similar approaches have also been employed to identify and remove spurious links in networks which is crucial for improving the reliability of network data. In network science, the likelihood for two nodes having a connection strongly depends on their structural similarity. The key to address these two problems thus becomes how to objectively measure the similarity between nodes in networks. In the literature, numerous network similarity metrics have been proposed and their accuracy has been discussed independently in previous works. In this paper, we systematically compare the accuracy of 18 similarity metrics in both link prediction and spurious link elimination when the observed networks are very sparse or consist of inaccurate linking information. Interestingly, some methods have high prediction accuracy, they tend to perform low accuracy in identification spurious interaction. We further find that methods can be classified into several cluster according to their behaviors. This work is useful for guiding future use of these similarity metrics for different purposes.

A new method for true and spurious eigensolutions of arbitrary cavities using the combined Helmholtz exterior integral equation formulation method.

PubMed

Chen, I L; Chen, J T; Kuo, S R; Liang, M T

2001-03-01

Integral equation methods have been widely used to solve interior eigenproblems and exterior acoustic problems (radiation and scattering). It was recently found that the real-part boundary element method (BEM) for the interior problem results in spurious eigensolutions if the singular (UT) or the hypersingular (LM) equation is used alone. The real-part BEM results in spurious solutions for interior problems in a similar way that the singular integral equation (UT method) results in fictitious solutions for the exterior problem. To solve this problem, a Combined Helmholtz Exterior integral Equation Formulation method (CHEEF) is proposed. Based on the CHEEF method, the spurious solutions can be filtered out if additional constraints from the exterior points are chosen carefully. Finally, two examples for the eigensolutions of circular and rectangular cavities are considered. The optimum numbers and proper positions for selecting the points in the exterior domain are analytically studied. Also, numerical experiments were designed to verify the analytical results. It is worth pointing out that the nodal line of radiation mode of a circle can be rotated due to symmetry, while the nodal line of the rectangular is on a fixed position.

Absolute and convective instabilities and their roles in the forecasting of large frontal meanderings

NASA Astrophysics Data System (ADS)

Liang, X. San; Robinson, Allan R.

2013-10-01

Frontal meanderings are generally difficult to predict. In this study, we demonstrate through an exercise with the Iceland-Faeroe Front (IFF) that satisfactory predictions may be achieved with the aid of hydrodynamic instability analysis. As discovered earlier on, underlying the IFF meandering is a convective instability in the western boundary region followed by an absolute instability in the interior; correspondingly the disturbance growth reveals a switch of pattern from spatial amplification to temporal amplification. To successfully forecast the meandering, the two instability processes must be faithfully reproduced. This sets stringent constraints for the tunable model parameters, e.g., boundary relaxation, temporal relaxation, eddy diffusivity, etc. By analyzing the instability dispersion properties, these parameters can be rather accurately set and their respective ranges of sensitivity estimated. It is shown that too much relaxation inhibits the front from varying; on the other hand, too little relaxation may have the model completely skip the spatial growth phase, leading to a meandering way more upstream along the front. Generally speaking, dissipation/diffusion tends to stabilize the simulation, but unrealistically large dissipation/diffusion could trigger a spurious absolute instability, and hence a premature meandering intrusion. The belief that taking in more data will improve the forecast does not need to be true; it depends on whether the model setup admits the two instabilities. This study may help relieve modelers from the laborious and tedious work of parameter tuning; it also provides us criteria to distinguish a physically relevant forecast from numerical artifacts.

Entropy-Based Approach To Nonlinear Stability

NASA Technical Reports Server (NTRS)

Merriam, Marshal L.

1991-01-01

NASA technical memorandum suggests schemes for numerical solution of differential equations of flow made more accurate and robust by invoking second law of thermodynamics. Proposes instead of using artificial viscosity to suppress such unphysical solutions as spurious numerical oscillations and nonlinear instabilities, one should formulate equations so that rate of production of entropy within each cell of computational grid be nonnegative, as required by second law.

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

Bian, Lei, E-mail: bianlei@pku.edu.cn; Pang, Gang, E-mail: 1517191281@qq.com; Tang, Shaoqiang, E-mail: maotang@pku.edu.cn

For the Schrödinger–Poisson system, we propose an ALmost EXact (ALEX) boundary condition to treat accurately the numerical boundaries. Being local in both space and time, the ALEX boundary conditions are demonstrated to be effective in suppressing spurious numerical reflections. Together with the Crank–Nicolson scheme, we simulate a resonant tunneling diode. The algorithm produces numerical results in excellent agreement with those in Mennemann et al. [1], yet at a much reduced complexity. Primary peaks in wave function profile appear as a consequence of quantum resonance, and should be considered in selecting the cut-off wave number for numerical simulations.

On the inherent competition between valid and spurious inductive inferences in Boolean data

NASA Astrophysics Data System (ADS)

Andrecut, M.

Inductive inference is the process of extracting general rules from specific observations. This problem also arises in the analysis of biological networks, such as genetic regulatory networks, where the interactions are complex and the observations are incomplete. A typical task in these problems is to extract general interaction rules as combinations of Boolean covariates, that explain a measured response variable. The inductive inference process can be considered as an incompletely specified Boolean function synthesis problem. This incompleteness of the problem will also generate spurious inferences, which are a serious threat to valid inductive inference rules. Using random Boolean data as a null model, here we attempt to measure the competition between valid and spurious inductive inference rules from a given data set. We formulate two greedy search algorithms, which synthesize a given Boolean response variable in a sparse disjunct normal form, and respectively a sparse generalized algebraic normal form of the variables from the observation data, and we evaluate numerically their performance.

Considerations of Online Numeric Databases for Social Science Research,

DTIC Science & Technology

1983-09-01

online user groups profit from them has greatly increased the size of the online market . International Resource Development says the revenues of...information services. Carlos Cuadra, however, feels that the customizers have been beneficial to the online market by educating users at a local level...calculations. Online data can sometimes assume a spurious authority due to the medium itself. "The market for numeric databases and systems is still

Martingales, nonstationary increments, and the efficient market hypothesis

NASA Astrophysics Data System (ADS)

McCauley, Joseph L.; Bassler, Kevin E.; Gunaratne, Gemunu H.

2008-06-01

We discuss the deep connection between nonstationary increments, martingales, and the efficient market hypothesis for stochastic processes x(t) with arbitrary diffusion coefficients D(x,t). We explain why a test for a martingale is generally a test for uncorrelated increments. We explain why martingales look Markovian at the level of both simple averages and 2-point correlations. But while a Markovian market has no memory to exploit and cannot be beaten systematically, a martingale admits memory that might be exploitable in higher order correlations. We also use the analysis of this paper to correct a misstatement of the ‘fair game’ condition in terms of serial correlations in Fama’s paper on the EMH. We emphasize that the use of the log increment as a variable in data analysis generates spurious fat tails and spurious Hurst exponents.

Development and Implementation of a Transport Method for the Transport and Reaction Simulation Engine (TaRSE) based on the Godunov-Mixed Finite Element Method

USGS Publications Warehouse

James, Andrew I.; Jawitz, James W.; Munoz-Carpena, Rafael

2009-01-01

A model to simulate transport of materials in surface water and ground water has been developed to numerically approximate solutions to the advection-dispersion equation. This model, known as the Transport and Reaction Simulation Engine (TaRSE), uses an algorithm that incorporates a time-splitting technique where the advective part of the equation is solved separately from the dispersive part. An explicit finite-volume Godunov method is used to approximate the advective part, while a mixed-finite element technique is used to approximate the dispersive part. The dispersive part uses an implicit discretization, which allows it to run stably with a larger time step than the explicit advective step. The potential exists to develop algorithms that run several advective steps, and then one dispersive step that encompasses the time interval of the advective steps. Because the dispersive step is computationally most expensive, schemes can be implemented that are more computationally efficient than non-time-split algorithms. This technique enables scientists to solve problems with high grid Peclet numbers, such as transport problems with sharp solute fronts, without spurious oscillations in the numerical approximation to the solution and with virtually no artificial diffusion.

An efficient method to compute spurious end point contributions in PO solutions. [Physical Optics

NASA Technical Reports Server (NTRS)

Gupta, Inder J.; Burnside, Walter D.; Pistorius, Carl W. I.

1987-01-01

A method is given to compute the spurious endpoint contributions in the physical optics solution for electromagnetic scattering from conducting bodies. The method is applicable to general three-dimensional structures. The only information required to use the method is the radius of curvature of the body at the shadow boundary. Thus, the method is very efficient for numerical computations. As an illustration, the method is applied to several bodies of revolution to compute the endpoint contributions for backscattering in the case of axial incidence. It is shown that in high-frequency situations, the endpoint contributions obtained using the method are equal to the true endpoint contributions.

Application of the algebraic RNG model for transition simulation. [renormalization group theory

NASA Technical Reports Server (NTRS)

Lund, Thomas S.

1990-01-01

The algebraic form of the RNG model of Yakhot and Orszag (1986) is investigated as a transition model for the Reynolds averaged boundary layer equations. It is found that the cubic equation for the eddy viscosity contains both a jump discontinuity and one spurious root. A yet unpublished transformation to a quartic equation is shown to remove the numerical difficulties associated with the discontinuity, but only at the expense of merging both the physical and spurious root of the cubic. Jumps between the branches of the resulting multiple-valued solution are found to lead to oscillations in flat plate transition calculations. Aside from the oscillations, the transition behavior is qualitatively correct.

A validated non-linear Kelvin-Helmholtz benchmark for numerical hydrodynamics

NASA Astrophysics Data System (ADS)

Lecoanet, D.; McCourt, M.; Quataert, E.; Burns, K. J.; Vasil, G. M.; Oishi, J. S.; Brown, B. P.; Stone, J. M.; O'Leary, R. M.

2016-02-01

The non-linear evolution of the Kelvin-Helmholtz instability is a popular test for code verification. To date, most Kelvin-Helmholtz problems discussed in the literature are ill-posed: they do not converge to any single solution with increasing resolution. This precludes comparisons among different codes and severely limits the utility of the Kelvin-Helmholtz instability as a test problem. The lack of a reference solution has led various authors to assert the accuracy of their simulations based on ad hoc proxies, e.g. the existence of small-scale structures. This paper proposes well-posed two-dimensional Kelvin-Helmholtz problems with smooth initial conditions and explicit diffusion. We show that in many cases numerical errors/noise can seed spurious small-scale structure in Kelvin-Helmholtz problems. We demonstrate convergence to a reference solution using both ATHENA, a Godunov code, and DEDALUS, a pseudo-spectral code. Problems with constant initial density throughout the domain are relatively straightforward for both codes. However, problems with an initial density jump (which are the norm in astrophysical systems) exhibit rich behaviour and are more computationally challenging. In the latter case, ATHENA simulations are prone to an instability of the inner rolled-up vortex; this instability is seeded by grid-scale errors introduced by the algorithm, and disappears as resolution increases. Both ATHENA and DEDALUS exhibit late-time chaos. Inviscid simulations are riddled with extremely vigorous secondary instabilities which induce more mixing than simulations with explicit diffusion. Our results highlight the importance of running well-posed test problems with demonstrated convergence to a reference solution. To facilitate future comparisons, we include as supplementary material the resolved, converged solutions to the Kelvin-Helmholtz problems in this paper in machine-readable form.

Memoryless control of boundary concentrations of diffusing particles.

PubMed

Singer, A; Schuss, Z; Nadler, B; Eisenberg, R S

2004-12-01

Flux between regions of different concentration occurs in nearly every device involving diffusion, whether an electrochemical cell, a bipolar transistor, or a protein channel in a biological membrane. Diffusion theory has calculated that flux since the time of Fick (1855), and the flux has been known to arise from the stochastic behavior of Brownian trajectories since the time of Einstein (1905), yet the mathematical description of the behavior of trajectories corresponding to different types of boundaries is not complete. We consider the trajectories of noninteracting particles diffusing in a finite region connecting two baths of fixed concentrations. Inside the region, the trajectories of diffusing particles are governed by the Langevin equation. To maintain average concentrations at the boundaries of the region at their values in the baths, a control mechanism is needed to set the boundary dynamics of the trajectories. Different control mechanisms are used in Langevin and Brownian simulations of such systems. We analyze models of controllers and derive equations for the time evolution and spatial distribution of particles inside the domain. Our analysis shows a distinct difference between the time evolution and the steady state concentrations. While the time evolution of the density is governed by an integral operator, the spatial distribution is governed by the familiar Fokker-Planck operator. The boundary conditions for the time dependent density depend on the model of the controller; however, this dependence disappears in the steady state, if the controller is of a renewal type. Renewal-type controllers, however, produce spurious boundary layers that can be catastrophic in simulations of charged particles, because even a tiny net charge can have global effects. The design of a nonrenewal controller that maintains concentrations of noninteracting particles without creating spurious boundary layers at the interface requires the solution of the time-dependent Fokker-Planck equation with absorption of outgoing trajectories and a source of ingoing trajectories on the boundary (the so called albedo problem).

A well-posed optimal spectral element approximation for the Stokes problem

NASA Technical Reports Server (NTRS)

Maday, Y.; Patera, A. T.; Ronquist, E. M.

1987-01-01

A method is proposed for the spectral element simulation of incompressible flow. This method constitutes in a well-posed optimal approximation of the steady Stokes problem with no spurious modes in the pressure. The resulting method is analyzed, and numerical results are presented for a model problem.

Elementary dispersion analysis of some mimetic discretizations on triangular C-grids

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

Korn, P., E-mail: peter.korn@mpimet.mpg.de; Danilov, S.; A.M. Obukhov Institute of Atmospheric Physics, Moscow

2017-02-01

Spurious modes supported by triangular C-grids limit their application for modeling large-scale atmospheric and oceanic flows. Their behavior can be modified within a mimetic approach that generalizes the scalar product underlying the triangular C-grid discretization. The mimetic approach provides a discrete continuity equation which operates on an averaged combination of normal edge velocities instead of normal edge velocities proper. An elementary analysis of the wave dispersion of the new discretization for Poincaré, Rossby and Kelvin waves shows that, although spurious Poincaré modes are preserved, their frequency tends to zero in the limit of small wavenumbers, which removes the divergence noisemore » in this limit. However, the frequencies of spurious and physical modes become close on shorter scales indicating that spurious modes can be excited unless high-frequency short-scale motions are effectively filtered in numerical codes. We argue that filtering by viscous dissipation is more efficient in the mimetic approach than in the standard C-grid discretization. Lumping of mass matrices appearing with the velocity time derivative in the mimetic discretization only slightly reduces the accuracy of the wave dispersion and can be used in practice. Thus, the mimetic approach cures some difficulties of the traditional triangular C-grid discretization but may still need appropriately tuned viscosity to filter small scales and high frequencies in solutions of full primitive equations when these are excited by nonlinear dynamics.« less

Non-parametric representation and prediction of single- and multi-shell diffusion-weighted MRI data using Gaussian processes

PubMed Central

Andersson, Jesper L.R.; Sotiropoulos, Stamatios N.

2015-01-01

Diffusion MRI offers great potential in studying the human brain microstructure and connectivity. However, diffusion images are marred by technical problems, such as image distortions and spurious signal loss. Correcting for these problems is non-trivial and relies on having a mechanism that predicts what to expect. In this paper we describe a novel way to represent and make predictions about diffusion MRI data. It is based on a Gaussian process on one or several spheres similar to the Geostatistical method of “Kriging”. We present a choice of covariance function that allows us to accurately predict the signal even from voxels with complex fibre patterns. For multi-shell data (multiple non-zero b-values) the covariance function extends across the shells which means that data from one shell is used when making predictions for another shell. PMID:26236030

Simulations of the stratocumulus-topped boundary layer with a third-order closure model

NASA Technical Reports Server (NTRS)

Moeng, C. H.; Randall, D. A.

1984-01-01

A third order closure model is proposed by Andre et al. (1982), in which the time rate of change terms, the relaxation and rapid effects for the pressure related terms, and the clipping approximation are included along with the quasi-normal closure, to study turbulence in a cloudy layer which is cooled radiatively from above. A spurious oscillation which is strongest near the inversion occurs. An analysis of the problem shows that the oscillation arises from the mean gradient and buoyancy terms of the triple moment equations; these terms are largest near the cloud top. The oscillation is physical, rather than computational. In nature the oscillation is effectively damped, by a mechanism which apparently is not included in our model. In the stably stratified layer just above the mixed layer top, turbulence can excite gravity waves, whose energy is radiated away. Because the closure assumption for the pressure terms does not take into account the transport of wave energy, the model generates spurious oscillations. Damping of the oscillations is possible by introducing diffusion terms into the triple moment equations. With a large enough choice for the diffusion coefficient, the oscillation is effectively eliminated. The results are quite sensitive to the ad hoc eddy coefficient.

Prediction of the moments in advection-diffusion lattice Boltzmann method. I. Truncation dispersion, skewness, and kurtosis

NASA Astrophysics Data System (ADS)

Ginzburg, Irina

2017-01-01

The effect of the heterogeneity in the soil structure or the nonuniformity of the velocity field on the modeled resident time distribution (RTD) and breakthrough curves is quantified by their moments. While the first moment provides the effective velocity, the second moment is related to the longitudinal dispersion coefficient (kT) in the developed Taylor regime; the third and fourth moments are characterized by their normalized values skewness (Sk) and kurtosis (Ku), respectively. The purpose of this investigation is to examine the role of the truncation corrections of the numerical scheme in kT, Sk, and Ku because of their interference with the second moment, in the form of the numerical dispersion, and in the higher-order moments, by their definition. Our symbolic procedure is based on the recently proposed extended method of moments (EMM). Originally, the EMM restores any-order physical moments of the RTD or averaged distributions assuming that the solute concentration obeys the advection-diffusion equation in multidimensional steady-state velocity field, in streamwise-periodic heterogeneous structure. In our work, the EMM is generalized to the fourth-order-accurate apparent mass-conservation equation in two- and three-dimensional duct flows. The method looks for the solution of the transport equation as the product of a long harmonic wave and a spatially periodic oscillating component; the moments of the given numerical scheme are derived from a chain of the steady-state fourth-order equations at a single cell. This mathematical technique is exemplified for the truncation terms of the two-relaxation-time lattice Boltzmann scheme, using plug and parabolic flow in straight channel and cylindrical capillary with the d2Q9 and d3Q15 discrete velocity sets as simple but illustrative examples. The derived symbolic dependencies can be readily extended for advection by another, Newtonian or non-Newtonian, flow profile in any-shape open-tabular conduits. It is established that the truncation errors in the three transport coefficients kT, Sk, and Ku decay with the second-order accuracy. While the physical values of the three transport coefficients are set by Péclet number, their truncation corrections additionally depend on the two adjustable relaxation rates and the two adjustable equilibrium weight families which independently determine the convective and diffusion discretization stencils. We identify flow- and dimension-independent optimal strategies for adjustable parameters and confront them to stability requirements. Through specific choices of two relaxation rates and weights, we expect our results be directly applicable to forward-time central differences and leap-frog central-convective Du Fort-Frankel-diffusion schemes. In straight channel, a quasi-exact validation of the truncation predictions through the numerical moments becomes possible thanks to the specular-forward no-flux boundary rule. In the staircase description of a cylindrical capillary, we account for the spurious boundary-layer diffusion and dispersion because of the tangential constraint of the bounce-back no-flux boundary rule.

Dynamical Approach Study of Spurious Numerics in Nonlinear Computations

NASA Technical Reports Server (NTRS)

Yee, H. C.; Mansour, Nagi (Technical Monitor)

2002-01-01

The last two decades have been an era when computation is ahead of analysis and when very large scale practical computations are increasingly used in poorly understood multiscale complex nonlinear physical problems and non-traditional fields. Ensuring a higher level of confidence in the predictability and reliability (PAR) of these numerical simulations could play a major role in furthering the design, understanding, affordability and safety of our next generation air and space transportation systems, and systems for planetary and atmospheric sciences, and in understanding the evolution and origin of life. The need to guarantee PAR becomes acute when computations offer the ONLY way of solving these types of data limited problems. Employing theory from nonlinear dynamical systems, some building blocks to ensure a higher level of confidence in PAR of numerical simulations have been revealed by the author and world expert collaborators in relevant fields. Five building blocks with supporting numerical examples were discussed. The next step is to utilize knowledge gained by including nonlinear dynamics, bifurcation and chaos theories as an integral part of the numerical process. The third step is to design integrated criteria for reliable and accurate algorithms that cater to the different multiscale nonlinear physics. This includes but is not limited to the construction of appropriate adaptive spatial and temporal discretizations that are suitable for the underlying governing equations. In addition, a multiresolution wavelets approach for adaptive numerical dissipation/filter controls for high speed turbulence, acoustics and combustion simulations will be sought. These steps are corner stones for guarding against spurious numerical solutions that are solutions of the discretized counterparts but are not solutions of the underlying governing equations.

Numerical Filtering of Spurious Transients in a Satellite Scanning Radiometer: Application to CERES

NASA Technical Reports Server (NTRS)

Smith, G. Louis; Pandey, D. K.; Lee, Robert B., III; Barkstrom, Bruce R.; Priestley, Kory J.

2002-01-01

The Clouds and Earth Radiant Energy System (CERES) scanning, radiometer was designed to provide high accuracy measurements of the radiances from the earth. Calibration testing of the instruments showed the presence of all undesired slow transient in the measurements of all channels at 1% to 2% of the signal. Analysis of the data showed that the transient consists of a single linear mode. The characteristic time of this mode is 0.3 to 0.4 s and is much greater than that the 8-10-ms response time of the detector, so that it is well separated from the detector response. A numerical filter was designed for the removal of this transient from the measurements. Results show no trace remaining of the transient after application of the numerical filter. The characterization of the slow mode on the basis of ground calibration data is discussed and flight results are shown for the CERES instruments aboard the Tropical Rainfall Measurement Mission and Terra spacecraft. The primary influence of the slow mode is in the calibration of the instrument and the in-flight validation of the calibration. This method may be applicable to other radiometers that are striving for high accuracy and encounter a slow spurious mode regardless of the underlying physics.

Solutions of the benchmark problems by the dispersion-relation-preserving scheme

NASA Technical Reports Server (NTRS)

Tam, Christopher K. W.; Shen, H.; Kurbatskii, K. A.; Auriault, L.

1995-01-01

The 7-point stencil Dispersion-Relation-Preserving scheme of Tam and Webb is used to solve all the six categories of the CAA benchmark problems. The purpose is to show that the scheme is capable of solving linear, as well as nonlinear aeroacoustics problems accurately. Nonlinearities, inevitably, lead to the generation of spurious short wave length numerical waves. Often, these spurious waves would overwhelm the entire numerical solution. In this work, the spurious waves are removed by the addition of artificial selective damping terms to the discretized equations. Category 3 problems are for testing radiation and outflow boundary conditions. In solving these problems, the radiation and outflow boundary conditions of Tam and Webb are used. These conditions are derived from the asymptotic solutions of the linearized Euler equations. Category 4 problems involved solid walls. Here, the wall boundary conditions for high-order schemes of Tam and Dong are employed. These conditions require the use of one ghost value per boundary point per physical boundary condition. In the second problem of this category, the governing equations, when written in cylindrical coordinates, are singular along the axis of the radial coordinate. The proper boundary conditions at the axis are derived by applying the limiting process of r approaches 0 to the governing equations. The Category 5 problem deals with the numerical noise issue. In the present approach, the time-independent mean flow solution is computed first. Once the residual drops to the machine noise level, the incident sound wave is turned on gradually. The solution is marched in time until a time-periodic state is reached. No exact solution is known for the Category 6 problem. Because of this, the problem is formulated in two totally different ways, first as a scattering problem then as a direct simulation problem. There is good agreement between the two numerical solutions. This offers confidence in the computed results. Both formulations are solved as initial value problems. As such, no Kutta condition is required at the trailing edge of the airfoil.

The ADER-DG method for seismic wave propagation and earthquake rupture dynamics

NASA Astrophysics Data System (ADS)

Pelties, Christian; Gabriel, Alice; Ampuero, Jean-Paul; de la Puente, Josep; Käser, Martin

2013-04-01

We will present the Arbitrary high-order DERivatives Discontinuous Galerkin (ADER-DG) method for solving the combined elastodynamic wave propagation and dynamic rupture problem. The ADER-DG method enables high-order accuracy in space and time while being implemented on unstructured tetrahedral meshes. A tetrahedral element discretization provides rapid and automatized mesh generation as well as geometrical flexibility. Features as mesh coarsening and local time stepping schemes can be applied to reduce computational efforts without introducing numerical artifacts. The method is well suited for parallelization and large scale high-performance computing since only directly neighboring elements exchange information via numerical fluxes. The concept of fluxes is a key ingredient of the numerical scheme as it governs the numerical dispersion and diffusion properties and allows to accommodate for boundary conditions, empirical friction laws of dynamic rupture processes, or the combination of different element types and non-conforming mesh transitions. After introducing fault dynamics into the ADER-DG framework, we will demonstrate its specific advantages in benchmarking test scenarios provided by the SCEC/USGS Spontaneous Rupture Code Verification Exercise. An important result of the benchmark is that the ADER-DG method avoids spurious high-frequency contributions in the slip rate spectra and therefore does not require artificial Kelvin-Voigt damping, filtering or other modifications of the produced synthetic seismograms. To demonstrate the capabilities of the proposed scheme we simulate an earthquake scenario, inspired by the 1992 Landers earthquake, that includes branching and curved fault segments. Furthermore, topography is respected in the discretized model to capture the surface waves correctly. The advanced geometrical flexibility combined with an enhanced accuracy will make the ADER-DG method a useful tool to study earthquake dynamics on complex fault systems in realistic rheologies.

Quantifying Trace Amounts of Aggregates in Biopharmaceuticals Using Analytical Ultracentrifugation Sedimentation Velocity: Bayesian Analyses and F Statistics.

PubMed

Wafer, Lucas; Kloczewiak, Marek; Luo, Yin

2016-07-01

Analytical ultracentrifugation-sedimentation velocity (AUC-SV) is often used to quantify high molar mass species (HMMS) present in biopharmaceuticals. Although these species are often present in trace quantities, they have received significant attention due to their potential immunogenicity. Commonly, AUC-SV data is analyzed as a diffusion-corrected, sedimentation coefficient distribution, or c(s), using SEDFIT to numerically solve Lamm-type equations. SEDFIT also utilizes maximum entropy or Tikhonov-Phillips regularization to further allow the user to determine relevant sample information, including the number of species present, their sedimentation coefficients, and their relative abundance. However, this methodology has several, often unstated, limitations, which may impact the final analysis of protein therapeutics. These include regularization-specific effects, artificial "ripple peaks," and spurious shifts in the sedimentation coefficients. In this investigation, we experimentally verified that an explicit Bayesian approach, as implemented in SEDFIT, can largely correct for these effects. Clear guidelines on how to implement this technique and interpret the resulting data, especially for samples containing micro-heterogeneity (e.g., differential glycosylation), are also provided. In addition, we demonstrated how the Bayesian approach can be combined with F statistics to draw more accurate conclusions and rigorously exclude artifactual peaks. Numerous examples with an antibody and an antibody-drug conjugate were used to illustrate the strengths and drawbacks of each technique.

Linear stability analysis of collective neutrino oscillations without spurious modes

NASA Astrophysics Data System (ADS)

Morinaga, Taiki; Yamada, Shoichi

2018-01-01

Collective neutrino oscillations are induced by the presence of neutrinos themselves. As such, they are intrinsically nonlinear phenomena and are much more complex than linear counterparts such as the vacuum or Mikheyev-Smirnov-Wolfenstein oscillations. They obey integro-differential equations, for which it is also very challenging to obtain numerical solutions. If one focuses on the onset of collective oscillations, on the other hand, the equations can be linearized and the technique of linear analysis can be employed. Unfortunately, however, it is well known that such an analysis, when applied with discretizations of continuous angular distributions, suffers from the appearance of so-called spurious modes: unphysical eigenmodes of the discretized linear equations. In this paper, we analyze in detail the origin of these unphysical modes and present a simple solution to this annoying problem. We find that the spurious modes originate from the artificial production of pole singularities instead of a branch cut on the Riemann surface by the discretizations. The branching point singularities on the Riemann surface for the original nondiscretized equations can be recovered by approximating the angular distributions with polynomials and then performing the integrals analytically. We demonstrate for some examples that this simple prescription does remove the spurious modes. We also propose an even simpler method: a piecewise linear approximation to the angular distribution. It is shown that the same methodology is applicable to the multienergy case as well as to the dispersion relation approach that was proposed very recently.

Smoothed-particle-hydrodynamics modeling of dissipation mechanisms in gravity waves.

PubMed

Colagrossi, Andrea; Souto-Iglesias, Antonio; Antuono, Matteo; Marrone, Salvatore

2013-02-01

The smoothed-particle-hydrodynamics (SPH) method has been used to study the evolution of free-surface Newtonian viscous flows specifically focusing on dissipation mechanisms in gravity waves. The numerical results have been compared with an analytical solution of the linearized Navier-Stokes equations for Reynolds numbers in the range 50-5000. We found that a correct choice of the number of neighboring particles is of fundamental importance in order to obtain convergence towards the analytical solution. This number has to increase with higher Reynolds numbers in order to prevent the onset of spurious vorticity inside the bulk of the fluid, leading to an unphysical overdamping of the wave amplitude. This generation of spurious vorticity strongly depends on the specific kernel function used in the SPH model.

Overcoming numerical shockwave anomalies using energy balanced numerical schemes. Application to the Shallow Water Equations with discontinuous topography

NASA Astrophysics Data System (ADS)

Navas-Montilla, A.; Murillo, J.

2017-07-01

When designing a numerical scheme for the resolution of conservation laws, the selection of a particular source term discretization (STD) may seem irrelevant whenever it ensures convergence with mesh refinement, but it has a decisive impact on the solution. In the framework of the Shallow Water Equations (SWE), well-balanced STD based on quiescent equilibrium are unable to converge to physically based solutions, which can be constructed considering energy arguments. Energy based discretizations can be designed assuming dissipation or conservation, but in any case, the STD procedure required should not be merely based on ad hoc approximations. The STD proposed in this work is derived from the Generalized Hugoniot Locus obtained from the Generalized Rankine Hugoniot conditions and the Integral Curve across the contact wave associated to the bed step. In any case, the STD must allow energy-dissipative solutions: steady and unsteady hydraulic jumps, for which some numerical anomalies have been documented in the literature. These anomalies are the incorrect positioning of steady jumps and the presence of a spurious spike of discharge inside the cell containing the jump. The former issue can be addressed by proposing a modification of the energy-conservative STD that ensures a correct dissipation rate across the hydraulic jump, whereas the latter is of greater complexity and cannot be fixed by simply choosing a suitable STD, as there are more variables involved. The problem concerning the spike of discharge is a well-known problem in the scientific community, also known as slowly-moving shock anomaly, it is produced by a nonlinearity of the Hugoniot locus connecting the states at both sides of the jump. However, it seems that this issue is more a feature than a problem when considering steady solutions of the SWE containing hydraulic jumps. The presence of the spurious spike in the discharge has been taken for granted and has become a feature of the solution. Even though it does not disturb the rest of the solution in steady cases, when considering transient cases it produces a very undesirable shedding of spurious oscillations downstream that should be circumvented. Based on spike-reducing techniques (originally designed for homogeneous Euler equations) that propose the construction of interpolated fluxes in the untrustworthy regions, we design a novel Roe-type scheme for the SWE with discontinuous topography that reduces the presence of the aforementioned spurious spike. The resulting spike-reducing method in combination with the proposed STD ensures an accurate positioning of steady jumps, provides convergence with mesh refinement, which was not possible for previous methods that cannot avoid the spike.

A spectral, quasi-cylindrical and dispersion-free Particle-In-Cell algorithm

DOE PAGES

Lehe, Remi; Kirchen, Manuel; Andriyash, Igor A.; ...

2016-02-17

We propose a spectral Particle-In-Cell (PIC) algorithm that is based on the combination of a Hankel transform and a Fourier transform. For physical problems that have close-to-cylindrical symmetry, this algorithm can be much faster than full 3D PIC algorithms. In addition, unlike standard finite-difference PIC codes, the proposed algorithm is free of spurious numerical dispersion, in vacuum. This algorithm is benchmarked in several situations that are of interest for laser-plasma interactions. These benchmarks show that it avoids a number of numerical artifacts, that would otherwise affect the physics in a standard PIC algorithm - including the zero-order numerical Cherenkov effect.

Principles of Air Defense and Air Vehicle Penetration

DTIC Science & Technology

2000-03-01

Range For reliable dateetien, the target signal must reach some minimum or threshold value called S . . When internal noise is the only interfer...analyze air defense and air vehicle penetration. Unique expected value models are developed with frequent numerical examples. Radar...penetrator in the presence of spurious returns from internal and external noise will be discussed. Tracking With sufficient sensor information to determine

On Spurious Numerics in Solving Reactive Equations

NASA Technical Reports Server (NTRS)

Kotov, D. V; Yee, H. C.; Wang, W.; Shu, C.-W.

2013-01-01

The objective of this study is to gain a deeper understanding of the behavior of high order shock-capturing schemes for problems with stiff source terms and discontinuities and on corresponding numerical prediction strategies. The studies by Yee et al. (2012) and Wang et al. (2012) focus only on solving the reactive system by the fractional step method using the Strang splitting (Strang 1968). It is a common practice by developers in computational physics and engineering simulations to include a cut off safeguard if densities are outside the permissible range. Here we compare the spurious behavior of the same schemes by solving the fully coupled reactive system without the Strang splitting vs. using the Strang splitting. Comparison between the two procedures and the effects of a cut off safeguard is the focus the present study. The comparison of the performance of these schemes is largely based on the degree to which each method captures the correct location of the reaction front for coarse grids. Here "coarse grids" means standard mesh density requirement for accurate simulation of typical non-reacting flows of similar problem setup. It is remarked that, in order to resolve the sharp reaction front, local refinement beyond standard mesh density is still needed.

Some conservation issues for the dynamical cores of NWP and climate models

NASA Astrophysics Data System (ADS)

Thuburn, J.

2008-03-01

The rationale for designing atmospheric numerical model dynamical cores with certain conservation properties is reviewed. The conceptual difficulties associated with the multiscale nature of realistic atmospheric flow, and its lack of time-reversibility, are highlighted. A distinction is made between robust invariants, which are conserved or nearly conserved in the adiabatic and frictionless limit, and non-robust invariants, which are not conserved in the limit even though they are conserved by exactly adiabatic frictionless flow. For non-robust invariants, a further distinction is made between processes that directly transfer some quantity from large to small scales, and processes involving a cascade through a continuous range of scales; such cascades may either be explicitly parameterized, or handled implicitly by the dynamical core numerics, accepting the implied non-conservation. An attempt is made to estimate the relative importance of different conservation laws. It is argued that satisfactory model performance requires spurious sources of a conservable quantity to be much smaller than any true physical sources; for several conservable quantities the magnitudes of the physical sources are estimated in order to provide benchmarks against which any spurious sources may be measured.

Studying Room Acoustics using a Monopole-Dipole Microphone Array

NASA Technical Reports Server (NTRS)

Begault, Durand R.; Abel, Jonathan S.; Gills, Stephen R. (Technical Monitor)

1997-01-01

The use of a soundfield microphone for examining the directional nature of a room impulse response was reported recently. By cross-correlating monopole and co-located dipole microphone signals aligned with left-right, up-down, and front-back axes, a sense of signal direction of arrival is revealed. The current study is concerned with the array's ability to detect individual reflections and directions of arrival, as a function of the cross-correlation window duration. If is window is too long, weak reflections are overlooked; if too short, spurious detections result. Guidelines are presented for setting the window width according to perceptual criteria. Formulas are presented describing the accuracy with which direction of arrival can be estimated as a function of room specifics and measurement noise. The direction of arrival of early reflections is more accurately determined than that of later reflections which are quieter and more numerous. The transition from a fairly directional sound field at the beginning of the room impulse response to a uni-directional diffuse field is examined. Finally, it is shown that measurements from additional dipole orientations can significantly improve the ability to detect reflections and estimate their directions of arrival.

Enforcing realizability in explicit multi-component species transport

PubMed Central

McDermott, Randall J.; Floyd, Jason E.

2015-01-01

We propose a strategy to guarantee realizability of species mass fractions in explicit time integration of the partial differential equations governing fire dynamics, which is a multi-component transport problem (realizability requires all mass fractions are greater than or equal to zero and that the sum equals unity). For a mixture of n species, the conventional strategy is to solve for n − 1 species mass fractions and to obtain the nth (or “background”) species mass fraction from one minus the sum of the others. The numerical difficulties inherent in the background species approach are discussed and the potential for realizability violations is illustrated. The new strategy solves all n species transport equations and obtains density from the sum of the species mass densities. To guarantee realizability the species mass densities must remain positive (semidefinite). A scalar boundedness correction is proposed that is based on a minimal diffusion operator. The overall scheme is implemented in a publicly available large-eddy simulation code called the Fire Dynamics Simulator. A set of test cases is presented to verify that the new strategy enforces realizability, does not generate spurious mass, and maintains second-order accuracy for transport. PMID:26692634

The role of spurious correlation in the development of a komatiite alteration model

NASA Astrophysics Data System (ADS)

Butler, John C.

1986-03-01

Current procedures for assessing the degree of alteration in komatiites stress the construction of variation diagrams in which ratios of molecular proportions of the oxides are the axes of reference. For example, it has been argued that unaltered komatiites related to each other by olivine fractionation will display a linear variation with a slope of 0.5 in the space defined by [SiO2/TiO2] and [(MgO+FeO)/TiO2]. Extensive metasomatism is expected to destroy such a consistent pattern. Previous workers have tended to make use of ratios that have a common denominator. It has been known for a long time that ratios formed from uncorrelated variables will be correlated (a so-called spurious correlation) if both ratios have a common denominator. The magnitude of this spurious correlation is a function of the coefficients of variation of the measured amounts of the variables. If the denominator component has a coefficient of variation that is larger than those of the numerator components, the spurious correlation will be close to unity; that is, there will be nearly a straight-line relationship. As a demonstration, a fictitious data set has been simulated so that the means and variances of SiO2, TiO2, and (MgO + FeO) match those of an observed data set but the components themselves are uncorrelated. A plot of (SiO2/TiO2) versus [(MgO + FeO)/TiO2] of these simulated data produces a distribution of points that appears every bit as convincing an illustration of the lack of significant metasomatism as does the plot of the observed data. The assessment of the strength of linear association is a test of the observed correlation against an expected value (the null value) of zero. When a spurious correlation arises as a result of the formulation of ratios with a common denominator, zero is clearly an inappropriate choice as the null. It can be argued that the spurious correlation is, in fact, a more suitable null value. An analysis of komatiites from Gorgona Island and the Barberton suite reveals that the strong linear association could have been produced by forming ratios from uncorrelated starting chemical components. Ratios without parts in common are to be preferred in the construction of petrogenetic models.

A hybrid formulation for the numerical simulation of condensed phase explosives

NASA Astrophysics Data System (ADS)

Michael, L.; Nikiforakis, N.

2016-07-01

In this article we present a new formulation and an associated numerical algorithm, for the simulation of combustion and transition to detonation of condensed-phase commercial- and military-grade explosives, which are confined by (or in general interacting with one or more) compliant inert materials. Examples include confined rate-stick problems and interaction of shock waves with gas cavities or solid particles in explosives. This formulation is based on an augmented Euler approach to account for the mixture of the explosive and its products, and a multi-phase diffuse interface approach to solve for the immiscible interaction between the mixture and the inert materials, so it is in essence a hybrid (augmented Euler and multi-phase) model. As such, it has many of the desirable features of the two approaches and, critically for our applications of interest, it provides the accurate recovery of temperature fields across all components. Moreover, it conveys a lot more physical information than augmented Euler, without the complexity of full multi-phase Baer-Nunziato-type models or the lack of robustness of augmented Euler models in the presence of more than two components. The model can sustain large density differences across material interfaces without the presence of spurious oscillations in velocity and pressure, and it can accommodate realistic equations of state and arbitrary (pressure- or temperature-based) reaction-rate laws. Under certain conditions, we show that the formulation reduces to well-known augmented Euler or multi-phase models, which have been extensively validated and used in practice. The full hybrid model and its reduced forms are validated against problems with exact (or independently-verified numerical) solutions and evaluated for robustness for rate-stick and shock-induced cavity collapse case-studies.

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

Xing, Yulong; Shu, Chi-wang; Noelle, Sebastian

This note aims at demonstrating the advantage of moving-water well-balanced schemes over still-water well-balanced schemes for the shallow water equations. We concentrate on numerical examples with solutions near a moving-water equilibrium. For such examples, still-water well-balanced methods are not capable of capturing the small perturbations of the moving-water equilibrium and may generate significant spurious oscillations, unless an extremely refined mesh is used. On the other hand, moving-water well-balanced methods perform well in these tests. The numerical examples in this note clearly demonstrate the importance of utilizing moving-water well-balanced methods for solutions near a moving-water equilibrium.

Development and Application of Compatible Discretizations of Maxwell's Equations

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

White, D; Koning, J; Rieben, R

We present the development and application of compatible finite element discretizations of electromagnetics problems derived from the time dependent, full wave Maxwell equations. We review the H(curl)-conforming finite element method, using the concepts and notations of differential forms as a theoretical framework. We chose this approach because it can handle complex geometries, it is free of spurious modes, it is numerically stable without the need for filtering or artificial diffusion, it correctly models the discontinuity of fields across material boundaries, and it can be very high order. Higher-order H(curl) and H(div) conforming basis functions are not unique and we havemore » designed an extensible C++ framework that supports a variety of specific instantiations of these such as standard interpolatory bases, spectral bases, hierarchical bases, and semi-orthogonal bases. Virtually any electromagnetics problem that can be cast in the language of differential forms can be solved using our framework. For time dependent problems a method-of-lines scheme is used where the Galerkin method reduces the PDE to a semi-discrete system of ODE's, which are then integrated in time using finite difference methods. For time integration of wave equations we employ the unconditionally stable implicit Newmark-Beta method, as well as the high order energy conserving explicit Maxwell Symplectic method; for diffusion equations, we employ a generalized Crank-Nicholson method. We conclude with computational examples from resonant cavity problems, time-dependent wave propagation problems, and transient eddy current problems, all obtained using the authors massively parallel computational electromagnetics code EMSolve.« less

Adaptive macro finite elements for the numerical solution of monodomain equations in cardiac electrophysiology.

PubMed

Heidenreich, Elvio A; Ferrero, José M; Doblaré, Manuel; Rodríguez, José F

2010-07-01

Many problems in biology and engineering are governed by anisotropic reaction-diffusion equations with a very rapidly varying reaction term. This usually implies the use of very fine meshes and small time steps in order to accurately capture the propagating wave while avoiding the appearance of spurious oscillations in the wave front. This work develops a family of macro finite elements amenable for solving anisotropic reaction-diffusion equations with stiff reactive terms. The developed elements are incorporated on a semi-implicit algorithm based on operator splitting that includes adaptive time stepping for handling the stiff reactive term. A linear system is solved on each time step to update the transmembrane potential, whereas the remaining ordinary differential equations are solved uncoupled. The method allows solving the linear system on a coarser mesh thanks to the static condensation of the internal degrees of freedom (DOF) of the macroelements while maintaining the accuracy of the finer mesh. The method and algorithm have been implemented in parallel. The accuracy of the method has been tested on two- and three-dimensional examples demonstrating excellent behavior when compared to standard linear elements. The better performance and scalability of different macro finite elements against standard finite elements have been demonstrated in the simulation of a human heart and a heterogeneous two-dimensional problem with reentrant activity. Results have shown a reduction of up to four times in computational cost for the macro finite elements with respect to equivalent (same number of DOF) standard linear finite elements as well as good scalability properties.

Optical Communications With A Geiger Mode APD Array

DTIC Science & Technology

2016-02-09

spurious fires from numerous sources, including crosstalk from other detectors in the same array . Additionally, after a 9 successful detection, the...be combined into arrays with large numbers of detectors , allowing for scaling of dynamic range with relatively little overhead on space and power...overall higher rate of dark counts than a single detector , this is more than compensated for by the extra detectors . A sufficiently large APD array could

Spurious Solutions Of Nonlinear Differential Equations

NASA Technical Reports Server (NTRS)

Yee, H. C.; Sweby, P. K.; Griffiths, D. F.

1992-01-01

Report utilizes nonlinear-dynamics approach to investigate possible sources of errors and slow convergence and non-convergence of steady-state numerical solutions when using time-dependent approach for problems containing nonlinear source terms. Emphasizes implications for development of algorithms in CFD and computational sciences in general. Main fundamental conclusion of study is that qualitative features of nonlinear differential equations cannot be adequately represented by finite-difference method and vice versa.

Ill-posedness in modeling mixed sediment river morphodynamics

NASA Astrophysics Data System (ADS)

Chavarrías, Víctor; Stecca, Guglielmo; Blom, Astrid

2018-04-01

In this paper we analyze the Hirano active layer model used in mixed sediment river morphodynamics concerning its ill-posedness. Ill-posedness causes the solution to be unstable to short-wave perturbations. This implies that the solution presents spurious oscillations, the amplitude of which depends on the domain discretization. Ill-posedness not only produces physically unrealistic results but may also cause failure of numerical simulations. By considering a two-fraction sediment mixture we obtain analytical expressions for the mathematical characterization of the model. Using these we show that the ill-posed domain is larger than what was found in previous analyses, not only comprising cases of bed degradation into a substrate finer than the active layer but also in aggradational cases. Furthermore, by analyzing a three-fraction model we observe ill-posedness under conditions of bed degradation into a coarse substrate. We observe that oscillations in the numerical solution of ill-posed simulations grow until the model becomes well-posed, as the spurious mixing of the active layer sediment and substrate sediment acts as a regularization mechanism. Finally we conduct an eigenstructure analysis of a simplified vertically continuous model for mixed sediment for which we show that ill-posedness occurs in a wider range of conditions than the active layer model.

Estimating the numerical diapycnal mixing in the GO5.0 ocean model

NASA Astrophysics Data System (ADS)

Megann, Alex; Nurser, George

2014-05-01

Constant-depth (or "z-coordinate") ocean models such as MOM and NEMO have become the de facto workhorse in climate applications, and have attained a mature stage in their development and are well understood. A generic shortcoming of this model type, however, is a tendency for the advection scheme to produce unphysical numerical diapycnal mixing, which in some cases may exceed the explicitly parameterised mixing based on observed physical processes (e.g. Hofmann and Maqueda, 2006), and this is likely to have effects on the long-timescale evolution of the simulated climate system. Despite this, few quantitative estimations have been made of the typical magnitude of the effective diapycnal diffusivity due to numerical mixing in these models. GO5.0 is the latest ocean model configuration developed jointly by the UK Met Office and the National Oceanography Centre (Megann et al, 2013). It uses version 3.4 of the NEMO model, on the ORCA025 global tripolar grid. Two approaches to quantifying the numerical diapycnal mixing in this model are described: the first is based on the isopycnal watermass analysis of Lee et al (2002), while the second uses a passive tracer to diagnose mixing across density surfaces. Results from these two methods will be compared and contrasted. Hofmann, M. and Maqueda, M. A. M., 2006. Performance of a second-order moments advection scheme in an ocean general circulation model. JGR-Oceans, 111(C5). Lee, M.-M., Coward, A.C., Nurser, A.G., 2002. Spurious diapycnal mixing of deep waters in an eddy-permitting global ocean model. JPO 32, 1522-1535 Megann, A., Storkey, D., Aksenov, Y., Alderson, S., Calvert, D., Graham, T., Hyder, P., Siddorn, J., and Sinha, B., 2013: GO5.0: The joint NERC-Met Office NEMO global ocean model for use in coupled and forced applications, Geosci. Model Dev. Discuss., 6, 5747-5799,.

Spurious symptom reduction in fault monitoring

NASA Technical Reports Server (NTRS)

Shontz, William D.; Records, Roger M.; Choi, Jai J.

1993-01-01

Previous work accomplished on NASA's Faultfinder concept suggested that the concept was jeopardized by spurious symptoms generated in the monitoring phase. The purpose of the present research was to investigate methods of reducing the generation of spurious symptoms during in-flight engine monitoring. Two approaches for reducing spurious symptoms were investigated. A knowledge base of rules was constructed to filter known spurious symptoms and a neural net was developed to improve the expectation values used in the monitoring process. Both approaches were effective in reducing spurious symptoms individually. However, the best results were obtained using a hybrid system combining the neural net capability to improve expectation values with the rule-based logic filter.

Diffuse light-sheet microscopy for stripe-free calcium imaging of neural populations.

PubMed

Taylor, Michael A; Vanwalleghem, Gilles C; Favre-Bulle, Itia A; Scott, Ethan K

2018-06-19

Light-sheet microscopy is used extensively in developmental biology and neuroscience. One limitation of this approach is that absorption and scattering produces shadows in the illuminating light sheet, resulting in stripe artifacts. Here, we introduce diffuse light-sheet microscopes that use a line diffuser to randomize the light propagation within the image plane, allowing the light sheets to reform after obstacles. We incorporate diffuse light sheets in two existing configurations: selective plane illumination microscopy (SPIM) in which the sample is illuminated with a static sheet of light, and digitally scanned light sheet (DSLS) in which a thin Gaussian beam is scanned across the image plane during each acquisition. We compare diffuse light-sheet microscopes to their conventional counterparts for calcium imaging of neural activity in larval zebrafish. We show that stripe artifacts can cast deep shadows that conceal some neurons, and that the stripes can flicker, producing spurious signals that could be interpreted as biological activity. Diffuse light sheets mitigate these problems, illuminating the blind spots produced by stripes and removing artifacts produced by the stripes' movements. The upgrade to diffuse light sheets is simple and inexpensive, especially in the case of DSLS, where it requires the addition of one optical element. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Numerical shockwave anomalies in presence of hydraulic jumps in the SWE with variable bed elevation.

NASA Astrophysics Data System (ADS)

Navas-Montilla, Adrian; Murillo, Javier

2017-04-01

When solving the shallow water equations appropriate numerical solvers must allow energy-dissipative solutions in presence of steady and unsteady hydraulic jumps. Hydraulic jumps are present in surface flows and may produce significant morphological changes. Unfortunately, it has been documented that some numerical anomalies may appear. These anomalies are the incorrect positioning of steady jumps and the presence of a spurious spike of discharge inside the cell containing the jump produced by a non-linearity of the Hugoniot locus connecting the states at both sides of the jump. Therefore, this problem remains unresolved in the context of Godunov's schemes applied to shallow flows. This issue is usually ignored as it does not affect to the solution in steady cases. However, it produces undesirable spurious oscillations in transient cases that can lead to misleading conclusions when moving to realistic scenarios. Using spike-reducing techniques based on the construction of interpolated fluxes, it is possible to define numerical methods including discontinuous topography that reduce the presence of the aforementioned numerical anomalies. References: T. W. Roberts, The behavior of flux difference splitting schemes near slowly moving shock waves, J. Comput. Phys., 90 (1990) 141-160. Y. Stiriba, R. Donat, A numerical study of postshock oscillations in slowly moving shock waves, Comput. Math. with Appl., 46 (2003) 719-739. E. Johnsen, S. K. Lele, Numerical errors generated in simulations of slowly moving shocks, Center for Turbulence Research, Annual Research Briefs, (2008) 1-12. D. W. Zaide, P. L. Roe, Flux functions for reducing numerical shockwave anomalies. ICCFD7, Big Island, Hawaii, (2012) 9-13. D. W. Zaide, Numerical Shockwave Anomalies, PhD thesis, Aerospace Engineering and Scientific Computing, University of Michigan, 2012. A. Navas-Montilla, J. Murillo, Energy balanced numerical schemes with very high order. The Augmented Roe Flux ADER scheme. Application to the shallow water equations, J. Comput. Phys. 290 (2015) 188-218. A. Navas-Montilla, J. Murillo, Asymptotically and exactly energy balanced augmented flux-ADER schemes with application to hyperbolic conservation laws with geometric source terms, J. Comput. Phys. 317 (2016) 108-147. J. Murillo and A. Navas-Montilla, A comprehensive explanation and exercise of the source terms in hyperbolic systems using Roe type solutions. Application to the 1D-2D shallow water equations, Advances in Water Resources {98} (2016) 70-96.

Stress evaluation in displacement-based 2D nonlocal finite element method

NASA Astrophysics Data System (ADS)

Pisano, Aurora Angela; Fuschi, Paolo

2018-06-01

The evaluation of the stress field within a nonlocal version of the displacement-based finite element method is addressed. With the aid of two numerical examples it is shown as some spurious oscillations of the computed nonlocal stresses arise at sections (or zones) of macroscopic inhomogeneity of the examined structures. It is also shown how the above drawback, which renders the stress numerical solution unreliable, can be viewed as the so-called locking in FEM, a subject debated in the early seventies. It is proved that a well known remedy for locking, i.e. the reduced integration technique, can be successfully applied also in the nonlocal elasticity context.

Spurious Behavior of Shock-Capturing Methods: Problems Containing Stiff Source Terms and Discontinuities

NASA Technical Reports Server (NTRS)

Yee, Helen M. C.; Kotov, D. V.; Wang, Wei; Shu, Chi-Wang

2013-01-01

The goal of this paper is to relate numerical dissipations that are inherited in high order shock-capturing schemes with the onset of wrong propagation speed of discontinuities. For pointwise evaluation of the source term, previous studies indicated that the phenomenon of wrong propagation speed of discontinuities is connected with the smearing of the discontinuity caused by the discretization of the advection term. The smearing introduces a nonequilibrium state into the calculation. Thus as soon as a nonequilibrium value is introduced in this manner, the source term turns on and immediately restores equilibrium, while at the same time shifting the discontinuity to a cell boundary. The present study is to show that the degree of wrong propagation speed of discontinuities is highly dependent on the accuracy of the numerical method. The manner in which the smearing of discontinuities is contained by the numerical method and the overall amount of numerical dissipation being employed play major roles. Moreover, employing finite time steps and grid spacings that are below the standard Courant-Friedrich-Levy (CFL) limit on shockcapturing methods for compressible Euler and Navier-Stokes equations containing stiff reacting source terms and discontinuities reveals surprising counter-intuitive results. Unlike non-reacting flows, for stiff reactions with discontinuities, employing a time step and grid spacing that are below the CFL limit (based on the homogeneous part or non-reacting part of the governing equations) does not guarantee a correct solution of the chosen governing equations. Instead, depending on the numerical method, time step and grid spacing, the numerical simulation may lead to (a) the correct solution (within the truncation error of the scheme), (b) a divergent solution, (c) a wrong propagation speed of discontinuities solution or (d) other spurious solutions that are solutions of the discretized counterparts but are not solutions of the governing equations. The present investigation for three very different stiff system cases confirms some of the findings of Lafon & Yee (1996) and LeVeque & Yee (1990) for a model scalar PDE. The findings might shed some light on the reported difficulties in numerical combustion and problems with stiff nonlinear (homogeneous) source terms and discontinuities in general.

Adaptive Numerical Dissipative Control in High Order Schemes for Multi-D Non-Ideal MHD

NASA Technical Reports Server (NTRS)

Yee, H. C.; Sjoegreen, B.

2004-01-01

The goal is to extend our adaptive numerical dissipation control in high order filter schemes and our new divergence-free methods for ideal MHD to non-ideal MHD that include viscosity and resistivity. The key idea consists of automatic detection of different flow features as distinct sensors to signal the appropriate type and amount of numerical dissipation/filter where needed and leave the rest of the region free of numerical dissipation contamination. These scheme-independent detectors are capable of distinguishing shocks/shears, flame sheets, turbulent fluctuations and spurious high-frequency oscillations. The detection algorithm is based on an artificial compression method (ACM) (for shocks/shears), and redundant multi-resolution wavelets (WAV) (for the above types of flow feature). These filter approaches also provide a natural and efficient way for the minimization of Div(B) numerical error. The filter scheme consists of spatially sixth order or higher non-dissipative spatial difference operators as the base scheme for the inviscid flux derivatives. If necessary, a small amount of high order linear dissipation is used to remove spurious high frequency oscillations. For example, an eighth-order centered linear dissipation (AD8) might be included in conjunction with a spatially sixth-order base scheme. The inviscid difference operator is applied twice for the viscous flux derivatives. After the completion of a full time step of the base scheme step, the solution is adaptively filtered by the product of a 'flow detector' and the 'nonlinear dissipative portion' of a high-resolution shock-capturing scheme. In addition, the scheme independent wavelet flow detector can be used in conjunction with spatially compact, spectral or spectral element type of base schemes. The ACM and wavelet filter schemes using the dissipative portion of a second-order shock-capturing scheme with sixth-order spatial central base scheme for both the inviscid and viscous MHD flux derivatives and a fourth-order Runge-Kutta method are denoted.

Limited-memory trust-region methods for sparse relaxation

NASA Astrophysics Data System (ADS)

Adhikari, Lasith; DeGuchy, Omar; Erway, Jennifer B.; Lockhart, Shelby; Marcia, Roummel F.

2017-08-01

In this paper, we solve the l2-l1 sparse recovery problem by transforming the objective function of this problem into an unconstrained differentiable function and applying a limited-memory trust-region method. Unlike gradient projection-type methods, which uses only the current gradient, our approach uses gradients from previous iterations to obtain a more accurate Hessian approximation. Numerical experiments show that our proposed approach eliminates spurious solutions more effectively while improving computational time.

Multidimensional supersymmetric quantum mechanics: spurious states for the tensor sector two Hamiltonian.

PubMed

Chou, Chia-Chun; Kouri, Donald J

2013-04-25

We show that there exist spurious states for the sector two tensor Hamiltonian in multidimensional supersymmetric quantum mechanics. For one-dimensional supersymmetric quantum mechanics on an infinite domain, the sector one and two Hamiltonians have identical spectra with the exception of the ground state of the sector one. For tensorial multidimensional supersymmetric quantum mechanics, there exist normalizable spurious states for the sector two Hamiltonian with energy equal to the ground state energy of the sector one. These spurious states are annihilated by the adjoint charge operator, and hence, they do not correspond to physical states for the original Hamiltonian. The Hermitian property of the sector two Hamiltonian implies the orthogonality between spurious and physical states. In addition, we develop a method for construction of a specific form of the spurious states for any quantum system and also generate several spurious states for a two-dimensional anharmonic oscillator system and for the hydrogen atom.

Reducing orbital eccentricity of precessing black-hole binaries

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

Buonanno, Alessandra; Taracchini, Andrea; Kidder, Lawrence E.

2011-05-15

Building initial conditions for generic binary black-hole evolutions which are not affected by initial spurious eccentricity remains a challenge for numerical-relativity simulations. This problem can be overcome by applying an eccentricity-removal procedure which consists of evolving the binary black hole for a couple of orbits, estimating the resulting eccentricity, and then restarting the simulation with corrected initial conditions. The presence of spins can complicate this procedure. As predicted by post-Newtonian theory, spin-spin interactions and precession prevent the binary from moving along an adiabatic sequence of spherical orbits, inducing oscillations in the radial separation and in the orbital frequency. For single-spinmore » binary black holes these oscillations are a direct consequence of monopole-quadrupole interactions. However, spin-induced oscillations occur at approximately twice the orbital frequency, and therefore can be distinguished and disentangled from the initial spurious eccentricity which occurs at approximately the orbital frequency. Taking this into account, we develop a new eccentricity-removal procedure based on the derivative of the orbital frequency and find that it is rather successful in reducing the eccentricity measured in the orbital frequency to values less than 10{sup -4} when moderate spins are present. We test this new procedure using numerical-relativity simulations of binary black holes with mass ratios 1.5 and 3, spin magnitude 0.5, and various spin orientations. The numerical simulations exhibit spin-induced oscillations in the dynamics at approximately twice the orbital frequency. Oscillations of similar frequency are also visible in the gravitational-wave phase and frequency of the dominant l=2, m=2 mode.« less

Influence of Boussinesq coefficient on depth-averaged modelling of rapid flows

NASA Astrophysics Data System (ADS)

Yang, Fan; Liang, Dongfang; Xiao, Yang

2018-04-01

The traditional Alternating Direction Implicit (ADI) scheme has been proven to be incapable of modelling trans-critical flows. Its inherent lack of shock-capturing capability often results in spurious oscillations and computational instabilities. However, the ADI scheme is still widely adopted in flood modelling software, and various special treatments have been designed to stabilise the computation. Modification of the Boussinesq coefficient to adjust the amount of fluid inertia is a numerical treatment that allows the ADI scheme to be applicable to rapid flows. This study comprehensively examines the impact of this numerical treatment over a range of flow conditions. A shock-capturing TVD-MacCormack model is used to provide reference results. For unsteady flows over a frictionless bed, such as idealised dam-break floods, the results suggest that an increase in the value of the Boussinesq coefficient reduces the amplitude of the spurious oscillations. The opposite is observed for steady rapid flows over a frictional bed. Finally, a two-dimensional urban flooding phenomenon is presented, involving unsteady flow over a frictional bed. The results show that increasing the value of the Boussinesq coefficient can significantly reduce the numerical oscillations and reduce the predicted area of inundation. In order to stabilise the ADI computations, the Boussinesq coefficient could be judiciously raised or lowered depending on whether the rapid flow is steady or unsteady and whether the bed is frictional or frictionless. An increase in the Boussinesq coefficient generally leads to overprediction of the propagating speed of the flood wave over a frictionless bed, but the opposite is true when bed friction is significant.

Global Asymptotic Behavior of Iterative Implicit Schemes

NASA Technical Reports Server (NTRS)

Yee, H. C.; Sweby, P. K.

1994-01-01

The global asymptotic nonlinear behavior of some standard iterative procedures in solving nonlinear systems of algebraic equations arising from four implicit linear multistep methods (LMMs) in discretizing three models of 2 x 2 systems of first-order autonomous nonlinear ordinary differential equations (ODEs) is analyzed using the theory of dynamical systems. The iterative procedures include simple iteration and full and modified Newton iterations. The results are compared with standard Runge-Kutta explicit methods, a noniterative implicit procedure, and the Newton method of solving the steady part of the ODEs. Studies showed that aside from exhibiting spurious asymptotes, all of the four implicit LMMs can change the type and stability of the steady states of the differential equations (DEs). They also exhibit a drastic distortion but less shrinkage of the basin of attraction of the true solution than standard nonLMM explicit methods. The simple iteration procedure exhibits behavior which is similar to standard nonLMM explicit methods except that spurious steady-state numerical solutions cannot occur. The numerical basins of attraction of the noniterative implicit procedure mimic more closely the basins of attraction of the DEs and are more efficient than the three iterative implicit procedures for the four implicit LMMs. Contrary to popular belief, the initial data using the Newton method of solving the steady part of the DEs may not have to be close to the exact steady state for convergence. These results can be used as an explanation for possible causes and cures of slow convergence and nonconvergence of steady-state numerical solutions when using an implicit LMM time-dependent approach in computational fluid dynamics.

Multi-dimensional high order essentially non-oscillatory finite difference methods in generalized coordinates

NASA Technical Reports Server (NTRS)

Shu, Chi-Wang

1992-01-01

The nonlinear stability of compact schemes for shock calculations is investigated. In recent years compact schemes were used in various numerical simulations including direct numerical simulation of turbulence. However to apply them to problems containing shocks, one has to resolve the problem of spurious numerical oscillation and nonlinear instability. A framework to apply nonlinear limiting to a local mean is introduced. The resulting scheme can be proven total variation (1D) or maximum norm (multi D) stable and produces nice numerical results in the test cases. The result is summarized in the preprint entitled 'Nonlinearly Stable Compact Schemes for Shock Calculations', which was submitted to SIAM Journal on Numerical Analysis. Research was continued on issues related to two and three dimensional essentially non-oscillatory (ENO) schemes. The main research topics include: parallel implementation of ENO schemes on Connection Machines; boundary conditions; shock interaction with hydrogen bubbles, a preparation for the full combustion simulation; and direct numerical simulation of compressible sheared turbulence.

Asymmetric dual-loop feedback to suppress spurious tones and reduce timing jitter in self-mode-locked quantum-dash lasers emitting at 155 μm

NASA Astrophysics Data System (ADS)

Asghar, Haroon; McInerney, John G.

2017-09-01

We demonstrate an asymmetric dual-loop feedback scheme to suppress external cavity side-modes induced in self-mode-locked quantum-dash lasers with conventional single and dual-loop feedback. In this letter, we achieved optimal suppression of spurious tones by optimizing the length of second delay time. We observed that asymmetric dual-loop feedback, with large (~8x) disparity in cavity lengths, eliminates all external-cavity side-modes and produces flat RF spectra close to the main peak with low timing jitter compared to single-loop feedback. Significant reduction in RF linewidth and reduced timing jitter was also observed as a function of increased second feedback delay time. The experimental results based on this feedback configuration validate predictions of recently published numerical simulations. This interesting asymmetric dual-loop feedback scheme provides simplest, efficient and cost effective stabilization of side-band free optoelectronic oscillators based on mode-locked lasers.

Attenuation of spurious responses in electromechanical filters

DOEpatents

Olsson, Roy H.; Hietala, Vincent M.

2018-04-10

A spur cancelling, electromechanical filter includes a first resonator having a first resonant frequency and one or more first spurious responses, and it also includes, electrically connected to the first resonator, a second resonator having a second resonant frequency and one or more second spurious responses. The first and second resonant frequencies are approximately identical, but the first resonator is physically non-identical to the second resonator. The difference between the resonators makes the respective spurious responses different. This allows for filters constructed from a cascade of these resonators to exhibit reduced spurious responses.

Numerical and experimental validation of a particle Galerkin method for metal grinding simulation

NASA Astrophysics Data System (ADS)

Wu, C. T.; Bui, Tinh Quoc; Wu, Youcai; Luo, Tzui-Liang; Wang, Morris; Liao, Chien-Chih; Chen, Pei-Yin; Lai, Yu-Sheng

2018-03-01

In this paper, a numerical approach with an experimental validation is introduced for modelling high-speed metal grinding processes in 6061-T6 aluminum alloys. The derivation of the present numerical method starts with an establishment of a stabilized particle Galerkin approximation. A non-residual penalty term from strain smoothing is introduced as a means of stabilizing the particle Galerkin method. Additionally, second-order strain gradients are introduced to the penalized functional for the regularization of damage-induced strain localization problem. To handle the severe deformation in metal grinding simulation, an adaptive anisotropic Lagrangian kernel is employed. Finally, the formulation incorporates a bond-based failure criterion to bypass the prospective spurious damage growth issues in material failure and cutting debris simulation. A three-dimensional metal grinding problem is analyzed and compared with the experimental results to demonstrate the effectiveness and accuracy of the proposed numerical approach.

Double-slit interferometry with a Bose-Einstein condensate

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

Collins, L.A.; Berman, G.P.; Bishop, A.R.

2005-03-01

A Bose-Einstein 'double-slit' interferometer has been recently realized experimentally by Y. Shin et al., Phys. Rev. Lett. 92 050405 (2004). We analyze the interferometric steps by solving numerically the time-dependent Gross-Pitaevskii equation in three-dimensional space. We focus on the adiabaticity time scales of the problem and on the creation of spurious collective excitations as a possible source of the strong degradation of the interference pattern observed experimentally. The role of quantum fluctuations is discussed.

Characterisation of the Hamamatsu photomultipliers for the KM3NeT Neutrino Telescope

NASA Astrophysics Data System (ADS)

Aiello, S.; Akrame, S. E.; Ameli, F.; Anassontzis, E. G.; Andre, M.; Androulakis, G.; Anghinolfi, M.; Anton, G.; Ardid, M.; Aublin, J.; Avgitas, T.; Baars, M.; Bagatelas, C.; Barbarino, G.; Baret, B.; Barrios-Martí, J.; Belias, A.; Berbee, E.; van den Berg, A.; Bertin, V.; Biagi, S.; Biagioni, A.; Biernoth, C.; Bormuth, R.; Boumaaza, J.; Bourret, S.; Bouwhuis, M.; Bozza, C.; Brânzaş, H.; Briukhanova, N.; Bruijn, R.; Brunner, J.; Buis, E.; Buompane, R.; Busto, J.; Calvo, D.; Capone, A.; Caramete, L.; Celli, S.; Chabab, M.; Cherubini, S.; Chiarella, V.; Chiarusi, T.; Circella, M.; Cocimano, R.; Coelho, J. A. B.; Coleiro, A.; Colomer Molla, M.; Coniglione, R.; Coyle, P.; Creusot, A.; Cuttone, G.; D'Onofrio, A.; Dallier, R.; De Sio, C.; Di Palma, I.; Díaz, A. F.; Distefano, C.; Domi, A.; Donà, R.; Donzaud, C.; Dornic, D.; Dörr, M.; Durocher, M.; Eberl, T.; van Eijk, D.; El Bojaddaini, I.; Elsaesser, D.; Enzenhöfer, A.; Ferrara, G.; Fusco, L. A.; Gal, T.; Garufi, F.; Gauchery, S.; Geißelsöder, S.; Gialanella, L.; Giorgio, E.; Giuliante, A.; Gozzini, S. R.; Ruiz, R. Gracia; Graf, K.; Grasso, D.; Grégoire, T.; Grella, G.; Hallmann, S.; van Haren, H.; Heid, T.; Heijboer, A.; Hekalo, A.; Hernández-Rey, J. J.; Hofestädt, J.; Illuminati, G.; James, C. W.; Jongen, M.; Jongewaard, B.; de Jong, M.; de Jong, P.; Kadler, M.; Kalaczyński, P.; Kalekin, O.; Katz, U. F.; Chowdhury, N. R. Khan; Kieft, G.; Kießling, D.; Koffeman, E. N.; Kooijman, P.; Kouchner, A.; Kreter, M.; Kulikovskiy, V.; Lahmann, R.; Le Breton, R.; Leone, F.; Leonora, E.; Levi, G.; Lincetto, M.; Lonardo, A.; Longhitano, F.; Lotze, M.; Loucatos, S.; Maggi, G.; Mańczak, J.; Mannheim, K.; Margiotta, A.; Marinelli, A.; Markou, C.; Martin, L.; Martínez-Mora, J. A.; Martini, A.; Marzaioli, F.; Mele, R.; Melis, K. W.; Migliozzi, P.; Migneco, E.; Mijakowski, P.; Miranda, L. S.; Mollo, C. M.; Morganti, M.; Moser, M.; Moussa, A.; Muller, R.; Musumeci, M.; Nauta, L.; Navas, S.; Nicolau, C. A.; Nielsen, C.; Organokov, M.; Orlando, A.; Panagopoulos, V.; Papalashvili, G.; Papaleo, R.; Păvălaş, G. E.; Pellegrini, G.; Pellegrino, C.; Pérez Romero, J.; Perrin-Terrin, M.; Piattelli, P.; Pikounis, K.; Pisanti, O.; Poirè, C.; Polydefki, G.; Poma, G. E.; Popa, V.; Post, M.; Pradier, T.; Pühlhofer, G.; Pulvirenti, S.; Quinn, L.; Raffaelli, F.; Randazzo, N.; Razzaque, S.; Real, D.; Resvanis, L.; Reubelt, J.; Riccobene, G.; Richer, M.; Rovelli, A.; Salvadori, I.; Samtleben, D. F. E.; Sánchez Losa, A.; Sanguineti, M.; Santangelo, A.; Sapienza, P.; Schermer, B.; Sciacca, V.; Seneca, J.; Sgura, I.; Shanidze, R.; Sharma, A.; Simeone, F.; Sinopoulou, A.; Spisso, B.; Spurio, M.; Stavropoulos, D.; Steijger, J.; Stellacci, S. M.; Strandberg, B.; Stransky, D.; Stüven, T.; Taiuti, M.; Tatone, F.; Tayalati, Y.; Tenllado, E.; Thakore, T.; Timmer, P.; Trovato, A.; Tsagkli, S.; Tzamariudaki, E.; Tzanetatos, D.; Valieri, C.; Vallage, B.; Van Elewyck, V.; Versari, F.; Viola, S.; Vivolo, D.; Volkert, M.; de Waardt, L.; Wilms, J.; de Wolf, E.; Zaborov, D.; Zornoza, J. D.; Zúñiga, J.

2018-05-01

The Hamamatsu R12199-02 3-inch photomultiplier tube is the photodetector chosen for the first phase of the KM3NeT neutrino telescope. About 7000 photomultipliers have been characterised for dark count rate, timing spread and spurious pulses. The quantum efficiency, the gain and the peak-to-valley ratio have also been measured for a sub-sample in order to determine parameter values needed as input to numerical simulations of the detector.

Spurious reticulocyte profiles in a dog with babesiosis.

PubMed

Piane, Laetitia; Théron, Marie-Laure; Aumann, Marcel; Trumel, Catherine

2016-12-01

A 9-year-old, female Maltese dog was referred to the Veterinary School of Toulouse with a 2-day history of anorexia and weakness. On clinical examination, the dog had hyperthermia (39.7°C), abdominal discomfort, and polypnea. Significant laboratory findings included pigmenturia, hyperbilirubinemia, hypercreatininemia, hyperfibrinogenemia, abnormal Snap canine pancreas-specific lipase, and pancytopenia with a nonregenerative anemia. A peripheral blood smear revealed numerous intraerythrocytic large Babesia but no polychromasia. There was a discrepancy between the absolute automated reticulocyte count (Sysmex reticulocyte count: 60 × 10 9 /L; RI 19.4-150.1 × 10 9 /L) and the manual reticulocyte count (3.6 × 10 9 /L) as well as the absence of polychromasia. The optical red blood cell scattergram showed an abnormal isolated reticulocyte cluster at the location of low-fluorescence ratio cells. These findings were interpreted as erythrocytes parasitized by large Babesia. The discrepancy between the Sysmex reticulocyte count and the manual reticulocyte count has been reported previously in people with falciparum malaria and numerous intra-erythrocytic Plasmodium falciparum organisms. This spurious reticulocyte profile and reticulocyte count were observed with the Sysmex XT-2000iV and the ProCyte using the same fluorescent dye polymethine but not with the LaserCyte using new methylene blue which does not stain Babesia organisms on a blood smear performed for manual reticulocyte counting. © 2016 American Society for Veterinary Clinical Pathology.

Study on C-S and P-R EOS in pseudo-potential lattice Boltzmann model for two-phase flows

NASA Astrophysics Data System (ADS)

Peng, Yong; Mao, Yun Fei; Wang, Bo; Xie, Bo

Equations of State (EOS) is crucial in simulating multiphase flows by the pseudo-potential lattice Boltzmann method (LBM). In the present study, the Peng and Robinson (P-R) and Carnahan and Starling (C-S) EOS in the pseudo-potential LBM with Exact Difference Method (EDM) scheme for two-phase flows have been compared. Both of P-R and C-S EOS have been used to study the two-phase separation, surface tension, the maximum two-phase density ratio and spurious currents. The study shows that both of P-R and C-S EOS agree with the analytical solutions although P-R EOS may perform better. The prediction of liquid phase by P-R EOS is more accurate than that of air phase and the contrary is true for C-S EOS. Predictions by both of EOS conform with the Laplace’s law. Besides, adjustment of surface tension is achieved by adjusting T. The P-R EOS can achieve larger maximum density ratio than C-S EOS under the same τ. Besides, no matter the C-S EOS or the P-R EOS, if τ tends to 0.5, the computation is prone to numerical instability. The maximum spurious current for P-R is larger than that of C-S. The multiple-relaxation-time LBM still can improve obviously the numerical stability and can achieve larger maximum density ratio.

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

Vincenti, H.; Vay, J. -L.

Due to discretization effects and truncation to finite domains, many electromagnetic simulations present non-physical modifications of Maxwell's equations in space that may generate spurious signals affecting the overall accuracy of the result. Such modifications for instance occur when Perfectly Matched Layers (PMLs) are used at simulation domain boundaries to simulate open media. Another example is the use of arbitrary order Maxwell solver with domain decomposition technique that may under some condition involve stencil truncations at subdomain boundaries, resulting in small spurious errors that do eventually build up. In each case, a careful evaluation of the characteristics and magnitude of themore » errors resulting from these approximations, and their impact at any frequency and angle, requires detailed analytical and numerical studies. To this end, we present a general analytical approach that enables the evaluation of numerical discretization errors of fully three-dimensional arbitrary order finite-difference Maxwell solver, with arbitrary modification of the local stencil in the simulation domain. The analytical model is validated against simulations of domain decomposition technique and PMLs, when these are used with very high-order Maxwell solver, as well as in the infinite order limit of pseudo-spectral solvers. Results confirm that the new analytical approach enables exact predictions in each case. It also confirms that the domain decomposition technique can be used with very high-order Maxwell solver and a reasonably low number of guard cells with negligible effects on the whole accuracy of the simulation.« less

Lattice Boltzmann methods for global linear instability analysis

NASA Astrophysics Data System (ADS)

Pérez, José Miguel; Aguilar, Alfonso; Theofilis, Vassilis

2017-12-01

Modal global linear instability analysis is performed using, for the first time ever, the lattice Boltzmann method (LBM) to analyze incompressible flows with two and three inhomogeneous spatial directions. Four linearization models have been implemented in order to recover the linearized Navier-Stokes equations in the incompressible limit. Two of those models employ the single relaxation time and have been proposed previously in the literature as linearization of the collision operator of the lattice Boltzmann equation. Two additional models are derived herein for the first time by linearizing the local equilibrium probability distribution function. Instability analysis results are obtained in three benchmark problems, two in closed geometries and one in open flow, namely the square and cubic lid-driven cavity flow and flow in the wake of the circular cylinder. Comparisons with results delivered by classic spectral element methods verify the accuracy of the proposed new methodologies and point potential limitations particular to the LBM approach. The known issue of appearance of numerical instabilities when the SRT model is used in direct numerical simulations employing the LBM is shown to be reflected in a spurious global eigenmode when the SRT model is used in the instability analysis. Although this mode is absent in the multiple relaxation times model, other spurious instabilities can also arise and are documented herein. Areas of potential improvements in order to make the proposed methodology competitive with established approaches for global instability analysis are discussed.

Suppressing Ghost Diffraction in E-Beam-Written Gratings

NASA Technical Reports Server (NTRS)

Wilson, Daniel; Backlund, Johan

2009-01-01

A modified scheme for electron-beam (E-beam) writing used in the fabrication of convex or concave diffraction gratings makes it possible to suppress the ghost diffraction heretofore exhibited by such gratings. Ghost diffraction is a spurious component of diffraction caused by a spurious component of grating periodicity as described below. The ghost diffraction orders appear between the main diffraction orders and are typically more intense than is the diffuse scattering from the grating. At such high intensity, ghost diffraction is the dominant source of degradation of grating performance. The pattern of a convex or concave grating is established by electron-beam writing in a resist material coating a substrate that has the desired convex or concave shape. Unfortunately, as a result of the characteristics of electrostatic deflectors used to control the electron beam, it is possible to expose only a small field - typically between 0.5 and 1.0 mm wide - at a given fixed position of the electron gun relative to the substrate. To make a grating larger than the field size, it is necessary to move the substrate to make it possible to write fields centered at different positions, so that the larger area is synthesized by "stitching" the exposed fields.

Validation of a numerical method for interface-resolving simulation of multicomponent gas-liquid mass transfer and evaluation of multicomponent diffusion models

NASA Astrophysics Data System (ADS)

Woo, Mino; Wörner, Martin; Tischer, Steffen; Deutschmann, Olaf

2018-03-01

The multicomponent model and the effective diffusivity model are well established diffusion models for numerical simulation of single-phase flows consisting of several components but are seldom used for two-phase flows so far. In this paper, a specific numerical model for interfacial mass transfer by means of a continuous single-field concentration formulation is combined with the multicomponent model and effective diffusivity model and is validated for multicomponent mass transfer. For this purpose, several test cases for one-dimensional physical or reactive mass transfer of ternary mixtures are considered. The numerical results are compared with analytical or numerical solutions of the Maxell-Stefan equations and/or experimental data. The composition-dependent elements of the diffusivity matrix of the multicomponent and effective diffusivity model are found to substantially differ for non-dilute conditions. The species mole fraction or concentration profiles computed with both diffusion models are, however, for all test cases very similar and in good agreement with the analytical/numerical solutions or measurements. For practical computations, the effective diffusivity model is recommended due to its simplicity and lower computational costs.

Numerical simulation of three-component multiphase flows at high density and viscosity ratios using lattice Boltzmann methods

NASA Astrophysics Data System (ADS)

Haghani Hassan Abadi, Reza; Fakhari, Abbas; Rahimian, Mohammad Hassan

2018-03-01

In this paper, we propose a multiphase lattice Boltzmann model for numerical simulation of ternary flows at high density and viscosity ratios free from spurious velocities. The proposed scheme, which is based on the phase-field modeling, employs the Cahn-Hilliard theory to track the interfaces among three different fluid components. Several benchmarks, such as the spreading of a liquid lens, binary droplets, and head-on collision of two droplets in binary- and ternary-fluid systems, are conducted to assess the reliability and accuracy of the model. The proposed model can successfully simulate both partial and total spreadings while reducing the parasitic currents to the machine precision.

Motion Artifact Reduction in Pediatric Diffusion Tensor Imaging Using Fast Prospective Correction

PubMed Central

Alhamud, A.; Taylor, Paul A.; Laughton, Barbara; van der Kouwe, André J.W.; Meintjes, Ernesta M.

2014-01-01

Purpose To evaluate the patterns of head motion in scans of young children and to examine the influence of corrective techniques, both qualitatively and quantitatively. We investigate changes that both retrospective (with and without diffusion table reorientation) and prospective (implemented with a short navigator sequence) motion correction induce in the resulting diffusion tensor measures. Materials and Methods Eighteen pediatric subjects (aged 5–6 years) were scanned using 1) a twice-refocused, 2D diffusion pulse sequence, 2) a prospectively motion-corrected, navigated diffusion sequence with reacquisition of a maximum of five corrupted diffusion volumes, and 3) a T1-weighted structural image. Mean fractional anisotropy (FA) values in white and gray matter regions, as well as tractography in the brainstem and projection fibers, were evaluated to assess differences arising from retrospective (via FLIRT in FSL) and prospective motion correction. In addition to human scans, a stationary phantom was also used for further evaluation. Results In several white and gray matter regions retrospective correction led to significantly (P < 0.05) reduced FA means and altered distributions compared to the navigated sequence. Spurious tractographic changes in the retrospectively corrected data were also observed in subject data, as well as in phantom and simulated data. Conclusion Due to the heterogeneity of brain structures and the comparatively low resolution (~2 mm) of diffusion data using 2D single shot sequencing, retrospective motion correction is susceptible to distortion from partial voluming. These changes often negatively bias diffusion tensor imaging parameters. Prospective motion correction was shown to produce smaller changes. PMID:24935904

Motion artifact reduction in pediatric diffusion tensor imaging using fast prospective correction.

PubMed

Alhamud, A; Taylor, Paul A; Laughton, Barbara; van der Kouwe, André J W; Meintjes, Ernesta M

2015-05-01

To evaluate the patterns of head motion in scans of young children and to examine the influence of corrective techniques, both qualitatively and quantitatively. We investigate changes that both retrospective (with and without diffusion table reorientation) and prospective (implemented with a short navigator sequence) motion correction induce in the resulting diffusion tensor measures. Eighteen pediatric subjects (aged 5-6 years) were scanned using 1) a twice-refocused, 2D diffusion pulse sequence, 2) a prospectively motion-corrected, navigated diffusion sequence with reacquisition of a maximum of five corrupted diffusion volumes, and 3) a T1 -weighted structural image. Mean fractional anisotropy (FA) values in white and gray matter regions, as well as tractography in the brainstem and projection fibers, were evaluated to assess differences arising from retrospective (via FLIRT in FSL) and prospective motion correction. In addition to human scans, a stationary phantom was also used for further evaluation. In several white and gray matter regions retrospective correction led to significantly (P < 0.05) reduced FA means and altered distributions compared to the navigated sequence. Spurious tractographic changes in the retrospectively corrected data were also observed in subject data, as well as in phantom and simulated data. Due to the heterogeneity of brain structures and the comparatively low resolution (∼2 mm) of diffusion data using 2D single shot sequencing, retrospective motion correction is susceptible to distortion from partial voluming. These changes often negatively bias diffusion tensor imaging parameters. Prospective motion correction was shown to produce smaller changes. © 2014 Wiley Periodicals, Inc.

Attribution of horizontal and vertical contributions to spurious mixing in an Arbitrary Lagrangian-Eulerian ocean model

NASA Astrophysics Data System (ADS)

Gibson, Angus H.; Hogg, Andrew McC.; Kiss, Andrew E.; Shakespeare, Callum J.; Adcroft, Alistair

2017-11-01

We examine the separate contributions to spurious mixing from horizontal and vertical processes in an ALE ocean model, MOM6, using reference potential energy (RPE). The RPE is a global diagnostic which changes only due to mixing between density classes. We extend this diagnostic to a sub-timestep timescale in order to individually separate contributions to spurious mixing through horizontal (tracer advection) and vertical (regridding/remapping) processes within the model. We both evaluate the overall spurious mixing in MOM6 against previously published output from other models (MOM5, MITGCM and MPAS-O), and investigate impacts on the components of spurious mixing in MOM6 across a suite of test cases: a lock exchange, internal wave propagation, and a baroclinically-unstable eddying channel. The split RPE diagnostic demonstrates that the spurious mixing in a lock exchange test case is dominated by horizontal tracer advection, due to the spatial variability in the velocity field. In contrast, the vertical component of spurious mixing dominates in an internal waves test case. MOM6 performs well in this test case owing to its quasi-Lagrangian implementation of ALE. Finally, the effects of model resolution are examined in a baroclinic eddies test case. In particular, the vertical component of spurious mixing dominates as horizontal resolution increases, an important consideration as global models evolve towards higher horizontal resolutions.

A multidisciplinary approach to reducing spurious hyperkalemia in hospital outpatient clinics.

PubMed

Loh, Tze Ping; Sethi, Sunil K

2015-10-01

To describe a multidisciplinary effort to investigate and reduce the occurence of outpatient spurious hyperkalaemia. Spurious hyperkalemia is a falsely elevated serum potassium result that does not reflect the in vivo condition of a person. A common practice of fist clenching/pumping during phlebotomy to improve vein visualisation is an under-appreciated cause of spurious hyperkalemia. Pre- and postinterventional study. Objective evidence of spurious hyperkalaemia was sought by reviewing archived laboratory results. A literature review was undertaken to summarise known causes of spurious hyperkalaemia and develop a best practice in phlebotomy. Subsequently, nurses from the Urology Clinic were interviewed, observed and surveyed to understand their phlebotomy workflow and identify potential areas of improvement by comparing to the best practice in phlebotomy. Unexplained (potentially spurious) hyperkalaemia was defined as a serum potassium of >5·0 mmol/l in a patient without stage 5 chronic kidney disease or haemolysed blood sample. Nurses from the Urology Clinic showed significant knowledge gap regarding causes of spurious hyperkalaemia when compared to the literature review. Direct observation revealed patients were routinely asked to clench their fists, which may cause spurious hyperkalaemia. Following these observations, several educational initiatives were administered to address the knowledge gap and stop fist clenching. The rate of unexplained hyperkalaemia at the Urology clinic reduced from a baseline of 16·0-3·8%, 58 weeks after intervention. Similar education intervention was propagated to all 18 other specialist outpatient clinic locations, which saw their rate of unexplained hyperkalaemia decrease from 5·4 to 3·7%. To ensure sustainability of the improvements, the existing phlebotomy standard operating protocol, educational and competency testing materials at variance with the best practice were revised. A simple intervention of avoiding fist clenching/pumping during phlebotomy produced significant reduction in the rate of spurious hyperkalemia. © 2015 John Wiley & Sons Ltd.

47 CFR 2.1053 - Measurements required: Field strength of spurious radiation.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 47 Telecommunication 1 2011-10-01 2011-10-01 false Measurements required: Field strength of spurious radiation. 2.1053 Section 2.1053 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL... Procedures Certification § 2.1053 Measurements required: Field strength of spurious radiation. (a...

47 CFR 2.1053 - Measurements required: Field strength of spurious radiation.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 47 Telecommunication 1 2014-10-01 2014-10-01 false Measurements required: Field strength of spurious radiation. 2.1053 Section 2.1053 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL... Procedures Certification § 2.1053 Measurements required: Field strength of spurious radiation. (a...

47 CFR 2.1053 - Measurements required: Field strength of spurious radiation.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 47 Telecommunication 1 2013-10-01 2013-10-01 false Measurements required: Field strength of spurious radiation. 2.1053 Section 2.1053 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL... Procedures Certification § 2.1053 Measurements required: Field strength of spurious radiation. (a...

Discontinuous Galerkin method with Gaussian artificial viscosity on graphical processing units for nonlinear acoustics

NASA Astrophysics Data System (ADS)

Tripathi, Bharat B.; Marchiano, Régis; Baskar, Sambandam; Coulouvrat, François

2015-10-01

Propagation of acoustical shock waves in complex geometry is a topic of interest in the field of nonlinear acoustics. For instance, simulation of Buzz Saw Noice requires the treatment of shock waves generated by the turbofan through the engines of aeroplanes with complex geometries and wall liners. Nevertheless, from a numerical point of view it remains a challenge. The two main hurdles are to take into account the complex geometry of the domain and to deal with the spurious oscillations (Gibbs phenomenon) near the discontinuities. In this work, first we derive the conservative hyperbolic system of nonlinear acoustics (up to quadratic nonlinear terms) using the fundamental equations of fluid dynamics. Then, we propose to adapt the classical nodal discontinuous Galerkin method to develop a high fidelity solver for nonlinear acoustics. The discontinuous Galerkin method is a hybrid of finite element and finite volume method and is very versatile to handle complex geometry. In order to obtain better performance, the method is parallelized on Graphical Processing Units. Like other numerical methods, discontinuous Galerkin method suffers with the problem of Gibbs phenomenon near the shock, which is a numerical artifact. Among the various ways to manage these spurious oscillations, we choose the method of parabolic regularization. Although, the introduction of artificial viscosity into the system is a popular way of managing shocks, we propose a new approach of introducing smooth artificial viscosity locally in each element, wherever needed. Firstly, a shock sensor using the linear coefficients of the spectral solution is used to locate the position of the discontinuities. Then, a viscosity coefficient depending on the shock sensor is introduced into the hyperbolic system of equations, only in the elements near the shock. The viscosity is applied as a two-dimensional Gaussian patch with its shape parameters depending on the element dimensions, referred here as Element Centered Smooth Artificial Viscosity. Using this numerical solver, various numerical experiments are presented for one and two-dimensional test cases in homogeneous and quiescent medium. This work is funded by CEFIPRA (Indo-French Centre for the Promotion of Advance Research) and partially aided by EGIDE (Campus France).

Numerical investigation of field enhancement by metal nano-particles using a hybrid FDTD-PSTD algorithm.

PubMed

Pernice, W H; Payne, F P; Gallagher, D F

2007-09-03

We present a novel numerical scheme for the simulation of the field enhancement by metal nano-particles in the time domain. The algorithm is based on a combination of the finite-difference time-domain method and the pseudo-spectral time-domain method for dispersive materials. The hybrid solver leads to an efficient subgridding algorithm that does not suffer from spurious field spikes as do FDTD schemes. Simulation of the field enhancement by gold particles shows the expected exponential field profile. The enhancement factors are computed for single particles and particle arrays. Due to the geometry conforming mesh the algorithm is stable for long integration times and thus suitable for the simulation of resonance phenomena in coupled nano-particle structures.

Gene Unprediction with Spurio: A tool to identify spurious protein sequences.

PubMed

Höps, Wolfram; Jeffryes, Matt; Bateman, Alex

2018-01-01

We now have access to the sequences of tens of millions of proteins. These protein sequences are essential for modern molecular biology and computational biology. The vast majority of protein sequences are derived from gene prediction tools and have no experimental supporting evidence for their translation.  Despite the increasing accuracy of gene prediction tools there likely exists a large number of spurious protein predictions in the sequence databases.  We have developed the Spurio tool to help identify spurious protein predictions in prokaryotes.  Spurio searches the query protein sequence against a prokaryotic nucleotide database using tblastn and identifies homologous sequences. The tblastn matches are used to score the query sequence's likelihood of being a spurious protein prediction using a Gaussian process model. The most informative feature is the appearance of stop codons within the presumed translation of homologous DNA sequences. Benchmarking shows that the Spurio tool is able to distinguish spurious from true proteins. However, transposon proteins are prone to be predicted as spurious because of the frequency of degraded homologs found in the DNA sequence databases. Our initial experiments suggest that less than 1% of the proteins in the UniProtKB sequence database are likely to be spurious and that Spurio is able to identify over 60 times more spurious proteins than the AntiFam resource. The Spurio software and source code is available under an MIT license at the following URL: https://bitbucket.org/bateman-group/spurio.

Detailed analysis of the effects of stencil spatial variations with arbitrary high-order finite-difference Maxwell solver

DOE PAGES

Vincenti, H.; Vay, J. -L.

2015-11-22

Due to discretization effects and truncation to finite domains, many electromagnetic simulations present non-physical modifications of Maxwell's equations in space that may generate spurious signals affecting the overall accuracy of the result. Such modifications for instance occur when Perfectly Matched Layers (PMLs) are used at simulation domain boundaries to simulate open media. Another example is the use of arbitrary order Maxwell solver with domain decomposition technique that may under some condition involve stencil truncations at subdomain boundaries, resulting in small spurious errors that do eventually build up. In each case, a careful evaluation of the characteristics and magnitude of themore » errors resulting from these approximations, and their impact at any frequency and angle, requires detailed analytical and numerical studies. To this end, we present a general analytical approach that enables the evaluation of numerical discretization errors of fully three-dimensional arbitrary order finite-difference Maxwell solver, with arbitrary modification of the local stencil in the simulation domain. The analytical model is validated against simulations of domain decomposition technique and PMLs, when these are used with very high-order Maxwell solver, as well as in the infinite order limit of pseudo-spectral solvers. Results confirm that the new analytical approach enables exact predictions in each case. It also confirms that the domain decomposition technique can be used with very high-order Maxwell solver and a reasonably low number of guard cells with negligible effects on the whole accuracy of the simulation.« less

A resolvable subfilter-scale model specific to large-eddy simulation of under-resolved turbulence

NASA Astrophysics Data System (ADS)

Zhou, Yong; Brasseur, James G.; Juneja, Anurag

2001-09-01

Large-eddy simulation (LES) of boundary-layer flows has serious deficiencies near the surface when a viscous sublayer either does not exist (rough walls) or is not practical to resolve (high Reynolds numbers). In previous work, we have shown that the near-surface errors arise from the poor performance of algebraic subfilter-scale (SFS) models at the first several grid levels, where integral scales are necessarily under-resolved and the turbulence is highly anisotropic. In under-resolved turbulence, eddy viscosity and similarity SFS models create a spurious feedback loop between predicted resolved-scale (RS) velocity and modeled SFS acceleration, and are unable to simultaneously capture SFS acceleration and RS-SFS energy flux. To break the spurious coupling in a dynamically meaningful manner, we introduce a new modeling strategy in which the grid-resolved subfilter velocity is estimated from a separate dynamical equation containing the essential inertial interactions between SFS and RS velocity. This resolved SFS (RSFS) velocity is then used as a surrogate for the complete SFS velocity in the SFS stress tensor. We test the RSFS model by comparing LES of highly under-resolved anisotropic buoyancy-generated homogeneous turbulence with a corresponding direct numerical simulation (DNS). The new model successfully suppresses the spurious feedback loop between RS velocity and SFS acceleration, and greatly improves model predictions of the anisotropic structure of SFS acceleration and resolved velocity fields. Unlike algebraic models, the RSFS model accurately captures SFS acceleration intensity and RS-SFS energy flux, even during the nonequilibrium transient, and properly partitions SFS acceleration between SFS stress divergence and SFS pressure force.

On the estimation of phase synchronization, spurious synchronization and filtering

NASA Astrophysics Data System (ADS)

Rios Herrera, Wady A.; Escalona, Joaquín; Rivera López, Daniel; Müller, Markus F.

2016-12-01

Phase synchronization, viz., the adjustment of instantaneous frequencies of two interacting self-sustained nonlinear oscillators, is frequently used for the detection of a possible interrelationship between empirical data recordings. In this context, the proper estimation of the instantaneous phase from a time series is a crucial aspect. The probability that numerical estimates provide a physically relevant meaning depends sensitively on the shape of its power spectral density. For this purpose, the power spectrum should be narrow banded possessing only one prominent peak [M. Chavez et al., J. Neurosci. Methods 154, 149 (2006)]. If this condition is not fulfilled, band-pass filtering seems to be the adequate technique in order to pre-process data for a posterior synchronization analysis. However, it was reported that band-pass filtering might induce spurious synchronization [L. Xu et al., Phys. Rev. E 73, 065201(R), (2006); J. Sun et al., Phys. Rev. E 77, 046213 (2008); and J. Wang and Z. Liu, EPL 102, 10003 (2013)], a statement that without further specification causes uncertainty over all measures that aim to quantify phase synchronization of broadband field data. We show by using signals derived from different test frameworks that appropriate filtering does not induce spurious synchronization. Instead, filtering in the time domain tends to wash out existent phase interrelations between signals. Furthermore, we show that measures derived for the estimation of phase synchronization like the mean phase coherence are also useful for the detection of interrelations between time series, which are not necessarily derived from coupled self-sustained nonlinear oscillators.

A Numerical Model for Trickle Bed Reactors

NASA Astrophysics Data System (ADS)

Propp, Richard M.; Colella, Phillip; Crutchfield, William Y.; Day, Marcus S.

2000-12-01

Trickle bed reactors are governed by equations of flow in porous media such as Darcy's law and the conservation of mass. Our numerical method for solving these equations is based on a total-velocity splitting, sequential formulation which leads to an implicit pressure equation and a semi-implicit mass conservation equation. We use high-resolution finite-difference methods to discretize these equations. Our solution scheme extends previous work in modeling porous media flows in two ways. First, we incorporate physical effects due to capillary pressure, a nonlinear inlet boundary condition, spatial porosity variations, and inertial effects on phase mobilities. In particular, capillary forces introduce a parabolic component into the recast evolution equation, and the inertial effects give rise to hyperbolic nonconvexity. Second, we introduce a modification of the slope-limiting algorithm to prevent our numerical method from producing spurious shocks. We present a numerical algorithm for accommodating these difficulties, show the algorithm is second-order accurate, and demonstrate its performance on a number of simplified problems relevant to trickle bed reactor modeling.

Numerical model a graphene component for the sensing of weak electromagnetic signals

NASA Astrophysics Data System (ADS)

Nasswettrova, A.; Fiala, P.; Nešpor, D.; Drexler, P.; Steinbauer, M.

2015-05-01

The paper discusses a numerical model and provides an analysis of a graphene coaxial line suitable for sub-micron sensors of magnetic fields. In relation to the presented concept, the target areas and disciplines include biology, medicine, prosthetics, and microscopic solutions for modern actuators or SMART elements. The proposed numerical model is based on an analysis of a periodic structure with high repeatability, and it exploits a graphene polymer having a basic dimension in nanometers. The model simulates the actual random motion in the structure as the source of spurious signals and considers the pulse propagation along the structure; furthermore, the model also examines whether and how the pulse will be distorted at the beginning of the line, given the various ending versions. The results of the analysis are necessary for further use of the designed sensing devices based on graphene structures.

Modified Finite Particle Methods for Stokes problems

NASA Astrophysics Data System (ADS)

Montanino, A.; Asprone, D.; Reali, A.; Auricchio, F.

2018-04-01

The Modified Finite Particle Method (MFPM) is a numerical method belonging to the class of meshless methods, nowadays widely investigated due to their characteristic of being capable to easily model large deformation and fluid-dynamic problems. Here we use the MFPM to approximate the Stokes problem. Since the classical formulation of the Stokes problem may lead to pressure spurious oscillations, we investigate alternative formulations and focus on how MFPM discretization behaves in those situations. Some of the investigated formulations, in fact, do not enforce strongly the incompressibility constraint, and therefore an important issue of the present work is to verify if the MFPM is able to correctly reproduce the incompressibility in those cases. The numerical results show that for the formulations in which the incompressibility constraint is properly satisfied from a numerical point of view, the expected second-order is achieved, both in static and in dynamic problems.

Numerical simulation of superheated vapor bubble rising in stagnant liquid

NASA Astrophysics Data System (ADS)

Samkhaniani, N.; Ansari, M. R.

2017-09-01

In present study, the rising of superheated vapor bubble in saturated liquid is simulated using volume of fluid method in OpenFOAM cfd package. The surface tension between vapor-liquid phases is considered using continuous surface force method. In order to reduce spurious current near interface, Lafaurie smoothing filter is applied to improve curvature calculation. Phase change is considered using Tanasawa mass transfer model. The variation of saturation temperature in vapor bubble with local pressure is considered with simplified Clausius-Clapeyron relation. The couple velocity-pressure equation is solved using PISO algorithm. The numerical model is validated with: (1) isothermal bubble rising and (2) one-dimensional horizontal film condensation. Then, the shape and life time history of single superheated vapor bubble are investigated. The present numerical study shows vapor bubble in saturated liquid undergoes boiling and condensation. It indicates bubble life time is nearly linear proportional with bubble size and superheat temperature.

Spurious-Mode Control of Same-Phase Drive-Type Ultrasonic Motor

NASA Astrophysics Data System (ADS)

Aoyagi, Manabu; Watanabe, Hiroyuki; Tomikawa, Yoshiro; Takano, Takehiro

2002-05-01

A same-phase drive-type ultrasonic motor requires a single power source for its operation. In particular, self-oscillation driving is useful for driving a small ultrasonic motor. This type of ultrasonic motor has a spurious mode close to the operation frequency on its stator vibrator. The spurious vibration mode affects the oscillation frequency of a self-oscillation drive circuit. Hence the spurious vibration mode should be restrained or moved away from the neighborhood of the operation frequency. In this paper, we report that an inductor connected at an electrical control terminal provided on standby electrodes for the reverse rotation operation controls only the spurious vibration mode. The effect of an inductor connected at the control terminal was clarified by the simulation of an equivalent circuit and some experiments.

Spurious states in boson calculations — spectre or reality?

NASA Astrophysics Data System (ADS)

Navrátil, P.; Geyer, H. B.; Dobeš, J.; Dobaczewski, J.

1994-03-01

We discuss some prevailing misconceptions about the possibility that spurious states may in general contaminate boson calculations of fermion systems on either the phenomenological or microscopic level. Amongst other things we point out that the possible appearance of spurious states is not inherently a mapping problem, but rather linked to a choice of basis in the boson Fock space. This choice is mostly dictated by convenience or the aim to make direct contact with phenomenology. Furthermore, neither well established collectivity, nor the construction of boson operators in the Marumori or OAI fashion can as such serve as a guarantee against the appearance of spurious boson states. Within an SO(12) generalisation of the Ginocchio model where collective decoupling is complete, we illustrate how spurious states may appear in an IBM-type sdg-boson analysis. We also show how these states may be identified on the boson level. This enables us to present an example of an sdg-spectrum which, although it may be reasonably correlated with experimental data, nevertheless has the first few low lying states all spurious when interpreted from the microscopic point of view. We briefly speculate about the possibility that certain types of truncation may in fact automatically circumvent the appearance of spurious states.

Particles at fluid-fluid interfaces: A new Navier-Stokes-Cahn-Hilliard surface- phase-field-crystal model.

PubMed

Aland, Sebastian; Lowengrub, John; Voigt, Axel

2012-10-01

Colloid particles that are partially wetted by two immiscible fluids can become confined to fluid-fluid interfaces. At sufficiently high volume fractions, the colloids may jam and the interface may crystallize. The fluids together with the interfacial colloids form an emulsion with interesting material properties and offer an important route to new soft materials. A promising approach to simulate these emulsions was presented in Aland et al. [Phys. Fluids 23, 062103 (2011)], where a Navier-Stokes-Cahn-Hilliard model for the macroscopic two-phase fluid system was combined with a surface phase-field-crystal model for the microscopic colloidal particles along the interface. Unfortunately this model leads to spurious velocities which require very fine spatial and temporal resolutions to accurately and stably simulate. In this paper we develop an improved Navier-Stokes-Cahn-Hilliard-surface phase-field-crystal model based on the principles of mass conservation and thermodynamic consistency. To validate our approach, we derive a sharp interface model and show agreement with the improved diffuse interface model. Using simple flow configurations, we show that the new model has much better properties and does not lead to spurious velocities. Finally, we demonstrate the solid-like behavior of the crystallized interface by simulating the fall of a solid ball through a colloid-laden multiphase fluid.

A fast semi-discrete Kansa method to solve the two-dimensional spatiotemporal fractional diffusion equation

NASA Astrophysics Data System (ADS)

Sun, HongGuang; Liu, Xiaoting; Zhang, Yong; Pang, Guofei; Garrard, Rhiannon

2017-09-01

Fractional-order diffusion equations (FDEs) extend classical diffusion equations by quantifying anomalous diffusion frequently observed in heterogeneous media. Real-world diffusion can be multi-dimensional, requiring efficient numerical solvers that can handle long-term memory embedded in mass transport. To address this challenge, a semi-discrete Kansa method is developed to approximate the two-dimensional spatiotemporal FDE, where the Kansa approach first discretizes the FDE, then the Gauss-Jacobi quadrature rule solves the corresponding matrix, and finally the Mittag-Leffler function provides an analytical solution for the resultant time-fractional ordinary differential equation. Numerical experiments are then conducted to check how the accuracy and convergence rate of the numerical solution are affected by the distribution mode and number of spatial discretization nodes. Applications further show that the numerical method can efficiently solve two-dimensional spatiotemporal FDE models with either a continuous or discrete mixing measure. Hence this study provides an efficient and fast computational method for modeling super-diffusive, sub-diffusive, and mixed diffusive processes in large, two-dimensional domains with irregular shapes.

Solute redistribution in dendritic solidification with diffusion in the solid

NASA Technical Reports Server (NTRS)

Ganesan, S.; Poirier, D. R.

1989-01-01

An investigation of solute redistribution during dendritic solidification with diffusion in the solid has been performed using numerical techniques. The extent of diffusion is characterized by the instantaneous and average diffusion parameters. These parameters are functions of the diffusion Fourier number, the partition ratio and the fraction solid. Numerical results are presented as an approximate model, which is used to predict the average diffusion parameter and calculate the composition of the interdendritic liquid during solidification.

Method and apparatus for powering an electrodeless lamp with reduced radio frequency interference

DOEpatents

Simpson, James E.

1999-01-01

An electrodeless lamp waveguide structure includes tuned absorbers for spurious RF signals. A lamp waveguide with an integral frequency selective attenuation includes resonant absorbers positioned within the waveguide to absorb spurious out-of-band RF energy. The absorbers have a negligible effect on energy at the selected frequency used to excite plasma in the lamp. In a first embodiment, one or more thin slabs of lossy magnetic material are affixed to the sidewalls of the waveguide at approximately one quarter wavelength of the spurious signal from an end wall of the waveguide. The positioning of the lossy material optimizes absorption of power from the spurious signal. In a second embodiment, one or more thin slabs of lossy magnetic material are used in conjunction with band rejection waveguide filter elements. In a third embodiment, one or more microstrip filter elements are tuned to the frequency of the spurious signal and positioned within the waveguide to couple and absorb the spurious signal's energy. All three embodiments absorb negligible energy at the selected frequency and so do not significantly diminish the energy efficiency of the lamp.

Method and apparatus for powering an electrodeless lamp with reduced radio frequency interference

DOEpatents

Simpson, J.E.

1999-06-08

An electrodeless lamp waveguide structure includes tuned absorbers for spurious RF signals. A lamp waveguide with an integral frequency selective attenuation includes resonant absorbers positioned within the waveguide to absorb spurious out-of-band RF energy. The absorbers have a negligible effect on energy at the selected frequency used to excite plasma in the lamp. In a first embodiment, one or more thin slabs of lossy magnetic material are affixed to the sidewalls of the waveguide at approximately one quarter wavelength of the spurious signal from an end wall of the waveguide. The positioning of the lossy material optimizes absorption of power from the spurious signal. In a second embodiment, one or more thin slabs of lossy magnetic material are used in conjunction with band rejection waveguide filter elements. In a third embodiment, one or more microstrip filter elements are tuned to the frequency of the spurious signal and positioned within the waveguide to couple and absorb the spurious signal's energy. All three embodiments absorb negligible energy at the selected frequency and so do not significantly diminish the energy efficiency of the lamp. 18 figs.

Oscillations in Spurious States of the Associative Memory Model with Synaptic Depression

NASA Astrophysics Data System (ADS)

Murata, Shin; Otsubo, Yosuke; Nagata, Kenji; Okada, Masato

2014-12-01

The associative memory model is a typical neural network model that can store discretely distributed fixed-point attractors as memory patterns. When the network stores the memory patterns extensively, however, the model has other attractors besides the memory patterns. These attractors are called spurious memories. Both spurious states and memory states are in equilibrium, so there is little difference between their dynamics. Recent physiological experiments have shown that the short-term dynamic synapse called synaptic depression decreases its efficacy of transmission to postsynaptic neurons according to the activities of presynaptic neurons. Previous studies revealed that synaptic depression destabilizes the memory states when the number of memory patterns is finite. However, it is very difficult to study the dynamical properties of the spurious states if the number of memory patterns is proportional to the number of neurons. We investigate the effect of synaptic depression on spurious states by Monte Carlo simulation. The results demonstrate that synaptic depression does not affect the memory states but mainly destabilizes the spurious states and induces periodic oscillations.

Parameterization of annealing kinetics in pharmaceutical glasses.

PubMed

Hodge, Ian M

2013-07-01

Numerical simulations indicate that neglecting the canonical nonlinearity of glassy-state annealing kinetics in pharmaceutical (and other) glasses leads to good KWW fits to the dependence of enthalpy on annealing time, but with spurious KWW parameters that are affected by nonlinearity. A simplified treatment of nonlinearity that uses the Struik shift factor is found to be a useful approximation for these analyses, and can account for previously reported differences between linear and nonlinear KWW parameters (Kawakami K, Pikal MJ. 2005. J Pharm Sci 94:948-965). Copyright © 2013 Wiley Periodicals, Inc.

Influence of satellite vibration on radio over IsOWC system

NASA Astrophysics Data System (ADS)

Zong, Kang; Zhu, Jiang

2017-07-01

In this paper, we analyze the influence of satellite vibration on radio over intersatellite optical wireless communication (IsOWC) system with an optical booster amplifier (OBA) and an optical preamplifier. The closed-form expressions of radio frequency (RF) gain, noise figure (NF) and spurious-free dynamic range (SFDR) are derived in the presence of pointing jitter taking consideration of bias error. Numerical results for RF gain, NF and SFDR are given for demonstration. Results indicate that the bias error obviously deteriorates the performance of the radio over IsOWC system.

A novel CFS-PML boundary condition for transient electromagnetic simulation using a fictitious wave domain method

NASA Astrophysics Data System (ADS)

Hu, Yanpu; Egbert, Gary; Ji, Yanju; Fang, Guangyou

2017-01-01

In this study, we apply fictitious wave domain (FWD) methods, based on the correspondence principle for the wave and diffusion fields, to finite difference (FD) modeling of transient electromagnetic (TEM) diffusion problems for geophysical applications. A novel complex frequency shifted perfectly matched layer (PML) boundary condition is adapted to the FWD to truncate the computational domain, with the maximum electromagnetic wave propagation velocity in the FWD used to set the absorbing parameters for the boundary layers. Using domains of varying spatial extent we demonstrate that these boundary conditions offer significant improvements over simpler PML approaches, which can result in spurious reflections and large errors in the FWD solutions, especially for low frequencies and late times. In our development, resistive air layers are directly included in the FWD, allowing simulation of TEM responses in the presence of topography, as is commonly encountered in geophysical applications. We compare responses obtained by our new FD-FWD approach and with the spectral Lanczos decomposition method on 3-D resistivity models of varying complexity. The comparisons demonstrate that our absorbing boundary condition in FWD for the TEM diffusion problems works well even in complex high-contrast conductivity models.

The spurious response of microwave photonic mixer

NASA Astrophysics Data System (ADS)

Xiao, Yongchuan; Zhong, Guoshun; Qu, Pengfei; Sun, Lijun

2018-02-01

Microwave photonic mixer is a potential solution for wideband information systems due to the ultra-wide operating bandwidth, high LO-to-RF isolation, the intrinsic immunity to electromagnetic interference, and the compatibility with exsiting microwave photonic transmission systems. The spurious response of microwave photonic mixer cascading in series a pair of Mach-Zehnder interferometric intensity modulators has been simulated and analyzed in this paper. The low order spurious products caused by the nonlinearity of modulators are non-negligible, and the proper IF frequency and accurate bias-controlling are of great importance to mitigate the impact of spurious products.

Numerical approximations for fractional diffusion equations via a Chebyshev spectral-tau method

NASA Astrophysics Data System (ADS)

Doha, Eid H.; Bhrawy, Ali H.; Ezz-Eldien, Samer S.

2013-10-01

In this paper, a class of fractional diffusion equations with variable coefficients is considered. An accurate and efficient spectral tau technique for solving the fractional diffusion equations numerically is proposed. This method is based upon Chebyshev tau approximation together with Chebyshev operational matrix of Caputo fractional differentiation. Such approach has the advantage of reducing the problem to the solution of a system of algebraic equations, which may then be solved by any standard numerical technique. We apply this general method to solve four specific examples. In each of the examples considered, the numerical results show that the proposed method is of high accuracy and is efficient for solving the time-dependent fractional diffusion equations.

Interpretation of various radiation backgrounds observed in the gamma-ray spectrometer experiments carried on the Apollo missions and implications for diffuse gamma-ray measurements

NASA Technical Reports Server (NTRS)

Dyer, C. S.; Trombka, J. I.; Metzger, A. E.; Seltzer, S. M.; Bielefeld, M. J.; Evans, L. G.

1975-01-01

Since the report of a preliminary analysis of cosmic gamma-ray measurements made during the Apollo 15 mission, an improved calculation of the spallation activation contribution has been made including the effects of short-lived spallation fragments, which can extend the correction to 15 MeV. In addition, a difference between Apollo 15 and 16 data enables an electron bremsstrahlung contribution to be calculated. A high level of activation observed in a crystal returned on Apollo 17 indicates a background contribution from secondary neutrons. These calculations and observations enable an improved extraction of spurious components and suggest important improvements for future detectors.

Automated correction of improperly rotated diffusion gradient orientations in diffusion weighted MRI.

PubMed

Jeurissen, Ben; Leemans, Alexander; Sijbers, Jan

2014-10-01

Ensuring one is using the correct gradient orientations in a diffusion MRI study can be a challenging task. As different scanners, file formats and processing tools use different coordinate frame conventions, in practice, users can end up with improperly oriented gradient orientations. Using such wrongly oriented gradient orientations for subsequent diffusion parameter estimation will invalidate all rotationally variant parameters and fiber tractography results. While large misalignments can be detected by visual inspection, small rotations of the gradient table (e.g. due to angulation of the acquisition plane), are much more difficult to detect. In this work, we propose an automated method to align the coordinate frame of the gradient orientations with that of the corresponding diffusion weighted images, using a metric based on whole brain fiber tractography. By transforming the gradient table and measuring the average fiber trajectory length, we search for the transformation that results in the best global 'connectivity'. To ensure a fast calculation of the metric we included a range of algorithmic optimizations in our tractography routine. To make the optimization routine robust to spurious local maxima, we use a stochastic optimization routine that selects a random set of seed points on each evaluation. Using simulations, we show that our method can recover the correct gradient orientations with high accuracy and precision. In addition, we demonstrate that our technique can successfully recover rotated gradient tables on a wide range of clinically realistic data sets. As such, our method provides a practical and robust solution to an often overlooked pitfall in the processing of diffusion MRI. Copyright © 2014 Elsevier B.V. All rights reserved.

High-Order Semi-Discrete Central-Upwind Schemes for Multi-Dimensional Hamilton-Jacobi Equations

NASA Technical Reports Server (NTRS)

Bryson, Steve; Levy, Doron; Biegel, Bran R. (Technical Monitor)

2002-01-01

We present high-order semi-discrete central-upwind numerical schemes for approximating solutions of multi-dimensional Hamilton-Jacobi (HJ) equations. This scheme is based on the use of fifth-order central interpolants like those developed in [1], in fluxes presented in [3]. These interpolants use the weighted essentially nonoscillatory (WENO) approach to avoid spurious oscillations near singularities, and become "central-upwind" in the semi-discrete limit. This scheme provides numerical approximations whose error is as much as an order of magnitude smaller than those in previous WENO-based fifth-order methods [2, 1]. Thee results are discussed via examples in one, two and three dimensions. We also pregnant explicit N-dimensional formulas for the fluxes, discuss their monotonicity and tl!e connection between this method and that in [2].

Numerical investigation of shock induced bubble collapse in water

NASA Astrophysics Data System (ADS)

Apazidis, N.

2016-04-01

A semi-conservative, stable, interphase-capturing numerical scheme for shock propagation in heterogeneous systems is applied to the problem of shock propagation in liquid-gas systems. The scheme is based on the volume-fraction formulation of the equations of motion for liquid and gas phases with separate equations of state. The semi-conservative formulation of the governing equations ensures the absence of spurious pressure oscillations at the material interphases between liquid and gas. Interaction of a planar shock in water with a single spherical bubble as well as twin adjacent bubbles is investigated. Several stages of the interaction process are considered, including focusing of the transmitted shock within the deformed bubble, creation of a water-hammer shock as well as generation of high-speed liquid jet in the later stages of the process.

The behavior of quantization spectra as a function of signal-to-noise ratio

NASA Technical Reports Server (NTRS)

Flanagan, M. J.

1991-01-01

An expression for the spectrum of quantization error in a discrete-time system whose input is a sinusoid plus white Gaussian noise is derived. This quantization spectrum consists of two components: a white-noise floor and spurious harmonics. The dithering effect of the input Gaussian noise in both components of the spectrum is considered. Quantitative results in a discrete Fourier transform (DFT) example show the behavior of spurious harmonics as a function of the signal-to-noise ratio (SNR). These results have strong implications for digital reception and signal analysis systems. At low SNRs, spurious harmonics decay exponentially on a log-log scale, and the resulting spectrum is white. As the SNR increases, the spurious harmonics figure prominently in the output spectrum. A useful expression is given that roughly bounds the magnitude of a spurious harmonic as a function of the SNR.

Application of nomographs for analysis and prediction of receiver spurious response EMI

NASA Astrophysics Data System (ADS)

Heather, F. W.

1985-07-01

Spurious response EMI for the front end of a superheterodyne receiver follows a simple mathematic formula; however, the application of the formula to predict test frequencies produces more data than can be evaluated. An analysis technique has been developed to graphically depict all receiver spurious responses usig a nomograph and to permit selection of optimum test frequencies. The discussion includes the math model used to simulate a superheterodyne receiver, the implementation of the model in the computer program, the approach to test frequency selection, interpretation of the nomographs, analysis and prediction of receiver spurious response EMI from the nomographs, and application of the nomographs. In addition, figures are provided of sample applications. This EMI analysis and prediction technique greatly improves the Electromagnetic Compatibility (EMC) test engineer's ability to visualize the scope of receiver spurious response EMI testing and optimize test frequency selection.

Numerical analysis for the fractional diffusion and fractional Buckmaster equation by the two-step Laplace Adam-Bashforth method

NASA Astrophysics Data System (ADS)

Jain, Sonal

2018-01-01

In this paper, we aim to use the alternative numerical scheme given by Gnitchogna and Atangana for solving partial differential equations with integer and non-integer differential operators. We applied this method to fractional diffusion model and fractional Buckmaster models with non-local fading memory. The method yields a powerful numerical algorithm for fractional order derivative to implement. Also we present in detail the stability analysis of the numerical method for solving the diffusion equation. This proof shows that this method is very stable and also converges very quickly to exact solution and finally some numerical simulation is presented.

Cancellation of spurious arrivals in Green's function extraction and the generalized optical theorem

USGS Publications Warehouse

Snieder, R.; Van Wijk, K.; Haney, M.; Calvert, R.

2008-01-01

The extraction of the Green's function by cross correlation of waves recorded at two receivers nowadays finds much application. We show that for an arbitrary small scatterer, the cross terms of scattered waves give an unphysical wave with an arrival time that is independent of the source position. This constitutes an apparent inconsistency because theory predicts that such spurious arrivals do not arise, after integration over a complete source aperture. This puzzling inconsistency can be resolved for an arbitrary scatterer by integrating the contribution of all sources in the stationary phase approximation to show that the stationary phase contributions to the source integral cancel the spurious arrival by virtue of the generalized optical theorem. This work constitutes an alternative derivation of this theorem. When the source aperture is incomplete, the spurious arrival is not canceled and could be misinterpreted to be part of the Green's function. We give an example of how spurious arrivals provide information about the medium complementary to that given by the direct and scattered waves; the spurious waves can thus potentially be used to better constrain the medium. ?? 2008 The American Physical Society.

COMPARISON OF NUMERICAL SCHEMES FOR SOLVING A SPHERICAL PARTICLE DIFFUSION EQUATION

EPA Science Inventory

A new robust iterative numerical scheme was developed for a nonlinear diffusive model that described sorption dynamics in spherical particle suspensions. he numerical scheme had been applied to finite difference and finite element models that showed rapid convergence and stabilit...

Reduction of numerical diffusion in three-dimensional vortical flows using a coupled Eulerian/Lagrangian solution procedure

NASA Technical Reports Server (NTRS)

Felici, Helene M.; Drela, Mark

1993-01-01

A new approach based on the coupling of an Eulerian and a Lagrangian solver, aimed at reducing the numerical diffusion errors of standard Eulerian time-marching finite-volume solvers, is presented. The approach is applied to the computation of the secondary flow in two bent pipes and the flow around a 3D wing. Using convective point markers the Lagrangian approach provides a correction of the basic Eulerian solution. The Eulerian flow in turn integrates in time the Lagrangian state-vector. A comparison of coarse and fine grid Eulerian solutions makes it possible to identify numerical diffusion. It is shown that the Eulerian/Lagrangian approach is an effective method for reducing numerical diffusion errors.

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

NASA Astrophysics Data System (ADS)

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.

Shallow marine cloud topped boundary layer in atmospheric models

NASA Astrophysics Data System (ADS)

Janjic, Zavisa

2017-04-01

A common problem in many atmospheric models is excessive expansion over cold water of shallow marine planetary boundary layer (PBL) topped by a thin cloud layer. This phenomenon is often accompanied by spurious light precipitation. The "Cloud Top Entrainment Instability" (CTEI) was proposed as an explanation of the mechanism controlling this process in reality thereby preventing spurious enlargement of the cloudy area and widely spread light precipitation observed in the models. A key element of this hypothesis is evaporative cooling at the PBL top. However, the CTEI hypothesis remains controversial. For example, a recent direct simulation experiment indicated that the evaporative cooling couldn't explain the break-up of the cloudiness as hypothesized by the CTEI. Here, it is shown that the cloud break-up can be achieved in numerical models by a further modification of the nonsingular implementation of the Mellor-Yamada Level 2.5 turbulence closure model (MYJ) developed at the National Centers for Environmental Prediction (NCEP) Washington. Namely, the impact of moist convective instability is included into the turbulent energy production/dissipation equation if (a) the stratification is stable, (b) the lifting condensation level (LCL) for a particle starting at a model level is below the next upper model level, and (c) there is enough turbulent kinetic energy so that, due to random vertical turbulent motions, a particle starting from a model level can reach its LCL. The criterion (c) should be sufficiently restrictive because otherwise the cloud cover can be completely removed. A real data example will be shown demonstrating the ability of the method to break the spurious cloud cover during the day, but also to allow its recovery over night.

Modeling of Shallow Marine Cloud Topped Boundary Layer

NASA Astrophysics Data System (ADS)

Janjic, Z.

2017-12-01

A common problem in many atmospheric models is excessive expansion over cold water of shallow marine planetary boundary layer (PBL) topped by a thin cloud layer. This phenomenon is often accompanied by spurious light precipitation. The "Cloud Top Entrainment Instability" (CTEI) was proposed as an explanation of the mechanism controlling this process and thus preventing spurious enlargement of the cloudy area and widely spread light precipitation observed in the models. A key element of this hypothesis is evaporative cooling at the PBL top. However, the CTEI hypothesis remains controversial. For example, a recent direct simulation experiment indicated that the evaporative cooling couldn't explain the break-up of the cloudiness as hypothesized by the CTEI. Here, it is shown that the cloud break-up can be achieved in numerical models by a further modification of the nonsingular implementation of the nonsingular Mellor-Yamada Level 2.5 turbulence closure model (MYJ) developed at the National Centers for Environmental Prediction (NCEP) Washington. Namely, the impact of moist convective instability is included into the turbulent energy production/dissipation equation if (a) the stratification is stable, (b) the lifting condensation level (LCL) for a particle starting at a model level is below the next upper model level, and (c) there is enough turbulent kinetic energy so that, due to random vertical turbulent motions, a particle starting from a model level can reach its LCL. The criterion (c) should be sufficiently restrictive because otherwise the cloud cover can be completely removed. A real data example will be shown demonstrating the ability of the method to break the spurious cloud cover during the day, but also to allow its recovery over night.

Systematic variations of argon diffusion in feldspars and implications for thermochronometry

DOE PAGES

Cassata, William S.; Renne, Paul R.

2013-03-07

Coupled information about the time-dependent production and temperature-dependent diffusion of radiogenic argon in feldspars can be used to constrain the thermal evolution attending a host of Earth and planetary processes. To better assess the accuracy of thermal models, an understanding of the mechanisms and pathways by which argon diffuses in feldspars is desirable. Here we present step-heating Ar diffusion experiments conducted on feldspars with diverse compositions, structural states, and microstructural characteristics. The experiments reveal systematic variations in diffusive behavior that appear closely related to these variables, with apparent closure temperatures for 0.1–1 mm grains of ~200–400 °C (assuming a 10more » °C/Ma cooling rate). Given such variability, there is no broadly applicable set of diffusion parameters that can be utilized in feldspar thermal modeling; sample-specific data are required. Diffusion experiments conducted on oriented cleavage flakes do not reveal directionally-dependent diffusive anisotropy to within the resolution limits of our approach (approximately a factor of 2). Additional experiments aimed at constraining the physical significance of the diffusion domain are presented and indicate that unaltered feldspar crystals with or without coherent exsolution lamellae diffuse at the grain-scale, whereas feldspars containing hydrothermal alteration and/or incoherent sub-grain intergrowths do not. Arrhenius plots for argon diffusion in plagioclase and alkali feldspars appear to reflect a confluence of intrinsic diffusion kinetics and structural transitions that occur during incremental heating experiments. These structural transitions, along with sub-grain domain size variations, cause deviations from linearity (i.e., upward and downward curvature) on Arrhenius plots. An atomistic model for Arrhenius behavior is proposed that incorporates the variable lattice deformations of different feldspars in response to heating and compression. Furthermore, the resulting implications for accurately extrapolating laboratory-derived diffusion parameters to natural settings and over geologic time are discussed. We find that considerable inaccuracies may exist in published thermal histories obtained using multiple diffusion domain (MDD) models fit to Arrhenius plots for exsolved alkali feldspar, where the inferred Ar partial retention zones may be spuriously hot.« less

Spurious group differences due to head motion in a diffusion MRI study

PubMed Central

Yendiki, Anastasia; Koldewyn, Kami; Kakunoori, Sita; Kanwisher, Nancy; Fischl, Bruce

2014-01-01

Diffusion-weighted MRI (DW-MRI) has become a popular imaging modality for probing the microstructural properties of white matter and comparing them between populations in vivo. However, the contrast in DW-MRI arises from the microscopic random motion of water molecules in brain tissues, which makes it particularly sensitive to macroscopic head motion. Although this has been known since the introduction of DW-MRI, most studies that use this modality for group comparisons do not report measures of head motion for each group and rely on registration-based correction methods that cannot eliminate the full effects of head motion on the DW-MRI contrast. In this work we use data from children with autism and typically developing children to investigate the effects of head motion on differences in anisotropy and diffusivity measures between groups. We show that group differences in head motion can induce group differences in DW-MRI measures, and that this is the case even when comparing groups that include control subjects only, where no anisotropy or diffusivity differences are expected. We also show that such effects can be more prominent in some white-matter pathways than others, and that they can be ameliorated by including motion as a nuisance regressor in the analyses. Our results demonstrate the importance of taking head motion into account in any population study where one group might exhibit more head motion than the other. PMID:24269273

A third-order computational method for numerical fluxes to guarantee nonnegative difference coefficients for advection-diffusion equations in a semi-conservative form

NASA Astrophysics Data System (ADS)

Sakai, K.; Watabe, D.; Minamidani, T.; Zhang, G. S.

2012-10-01

According to Godunov theorem for numerical calculations of advection equations, there exist no higher-order schemes with constant positive difference coefficients in a family of polynomial schemes with an accuracy exceeding the first-order. We propose a third-order computational scheme for numerical fluxes to guarantee the non-negative difference coefficients of resulting finite difference equations for advection-diffusion equations in a semi-conservative form, in which there exist two kinds of numerical fluxes at a cell surface and these two fluxes are not always coincident in non-uniform velocity fields. The present scheme is optimized so as to minimize truncation errors for the numerical fluxes while fulfilling the positivity condition of the difference coefficients which are variable depending on the local Courant number and diffusion number. The feature of the present optimized scheme consists in keeping the third-order accuracy anywhere without any numerical flux limiter. We extend the present method into multi-dimensional equations. Numerical experiments for advection-diffusion equations showed nonoscillatory solutions.

A moving mesh finite difference method for equilibrium radiation diffusion equations

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

Yang, Xiaobo, E-mail: xwindyb@126.com; Huang, Weizhang, E-mail: whuang@ku.edu; Qiu, Jianxian, E-mail: jxqiu@xmu.edu.cn

2015-10-01

An efficient moving mesh finite difference method is developed for the numerical solution of equilibrium radiation diffusion equations in two dimensions. The method is based on the moving mesh partial differential equation approach and moves the mesh continuously in time using a system of meshing partial differential equations. The mesh adaptation is controlled through a Hessian-based monitor function and the so-called equidistribution and alignment principles. Several challenging issues in the numerical solution are addressed. Particularly, the radiation diffusion coefficient depends on the energy density highly nonlinearly. This nonlinearity is treated using a predictor–corrector and lagged diffusion strategy. Moreover, the nonnegativitymore » of the energy density is maintained using a cutoff method which has been known in literature to retain the accuracy and convergence order of finite difference approximation for parabolic equations. Numerical examples with multi-material, multiple spot concentration situations are presented. Numerical results show that the method works well for radiation diffusion equations and can produce numerical solutions of good accuracy. It is also shown that a two-level mesh movement strategy can significantly improve the efficiency of the computation.« less

Adaptive Numerical Dissipation Control in High Order Schemes for Multi-D Non-Ideal MHD

NASA Technical Reports Server (NTRS)

Yee, H. C.; Sjoegreen, B.

2005-01-01

The required type and amount of numerical dissipation/filter to accurately resolve all relevant multiscales of complex MHD unsteady high-speed shock/shear/turbulence/combustion problems are not only physical problem dependent, but also vary from one flow region to another. In addition, proper and efficient control of the divergence of the magnetic field (Div(B)) numerical error for high order shock-capturing methods poses extra requirements for the considered type of CPU intensive computations. The goal is to extend our adaptive numerical dissipation control in high order filter schemes and our new divergence-free methods for ideal MHD to non-ideal MHD that include viscosity and resistivity. The key idea consists of automatic detection of different flow features as distinct sensors to signal the appropriate type and amount of numerical dissipation/filter where needed and leave the rest of the region free from numerical dissipation contamination. These scheme-independent detectors are capable of distinguishing shocks/shears, flame sheets, turbulent fluctuations and spurious high-frequency oscillations. The detection algorithm is based on an artificial compression method (ACM) (for shocks/shears), and redundant multiresolution wavelets (WAV) (for the above types of flow feature). These filters also provide a natural and efficient way for the minimization of Div(B) numerical error.

Fourth order Douglas implicit scheme for solving three dimension reaction diffusion equation with non-linear source term

NASA Astrophysics Data System (ADS)

Hasnain, Shahid; Saqib, Muhammad; Mashat, Daoud Suleiman

2017-07-01

This research paper represents a numerical approximation to non-linear three dimension reaction diffusion equation with non-linear source term from population genetics. Since various initial and boundary value problems exist in three dimension reaction diffusion phenomena, which are studied numerically by different numerical methods, here we use finite difference schemes (Alternating Direction Implicit and Fourth Order Douglas Implicit) to approximate the solution. Accuracy is studied in term of L2, L∞ and relative error norms by random selected grids along time levels for comparison with analytical results. The test example demonstrates the accuracy, efficiency and versatility of the proposed schemes. Numerical results showed that Fourth Order Douglas Implicit scheme is very efficient and reliable for solving 3-D non-linear reaction diffusion equation.

Numerical stability of the error diffusion concept

NASA Astrophysics Data System (ADS)

Weissbach, Severin; Wyrowski, Frank

1992-10-01

The error diffusion algorithm is an easy implementable mean to handle nonlinearities in signal processing, e.g. in picture binarization and coding of diffractive elements. The numerical stability of the algorithm depends on the choice of the diffusion weights. A criterion for the stability of the algorithm is presented and evaluated for some examples.

Linguistic Diversity and Traffic Accidents: Lessons from Statistical Studies of Cultural Traits

PubMed Central

Roberts, Seán; Winters, James

2013-01-01

The recent proliferation of digital databases of cultural and linguistic data, together with new statistical techniques becoming available has lead to a rise in so-called nomothetic studies [1]–[8]. These seek relationships between demographic variables and cultural traits from large, cross-cultural datasets. The insights from these studies are important for understanding how cultural traits evolve. While these studies are fascinating and are good at generating testable hypotheses, they may underestimate the probability of finding spurious correlations between cultural traits. Here we show that this kind of approach can find links between such unlikely cultural traits as traffic accidents, levels of extra-martial sex, political collectivism and linguistic diversity. This suggests that spurious correlations, due to historical descent, geographic diffusion or increased noise-to-signal ratios in large datasets, are much more likely than some studies admit. We suggest some criteria for the evaluation of nomothetic studies and some practical solutions to the problems. Since some of these studies are receiving media attention without a widespread understanding of the complexities of the issue, there is a risk that poorly controlled studies could affect policy. We hope to contribute towards a general skepticism for correlational studies by demonstrating the ease of finding apparently rigorous correlations between cultural traits. Despite this, we see well-controlled nomothetic studies as useful tools for the development of theories. PMID:23967132

Linguistic diversity and traffic accidents: lessons from statistical studies of cultural traits.

PubMed

Roberts, Seán; Winters, James

2013-01-01

The recent proliferation of digital databases of cultural and linguistic data, together with new statistical techniques becoming available has lead to a rise in so-called nomothetic studies [1]-[8]. These seek relationships between demographic variables and cultural traits from large, cross-cultural datasets. The insights from these studies are important for understanding how cultural traits evolve. While these studies are fascinating and are good at generating testable hypotheses, they may underestimate the probability of finding spurious correlations between cultural traits. Here we show that this kind of approach can find links between such unlikely cultural traits as traffic accidents, levels of extra-martial sex, political collectivism and linguistic diversity. This suggests that spurious correlations, due to historical descent, geographic diffusion or increased noise-to-signal ratios in large datasets, are much more likely than some studies admit. We suggest some criteria for the evaluation of nomothetic studies and some practical solutions to the problems. Since some of these studies are receiving media attention without a widespread understanding of the complexities of the issue, there is a risk that poorly controlled studies could affect policy. We hope to contribute towards a general skepticism for correlational studies by demonstrating the ease of finding apparently rigorous correlations between cultural traits. Despite this, we see well-controlled nomothetic studies as useful tools for the development of theories.

Particles at fluid-fluid interfaces: A new Navier-Stokes-Cahn-Hilliard surface-phase-field-crystal model

PubMed Central

Aland, Sebastian; Lowengrub, John; Voigt, Axel

2013-01-01

Colloid particles that are partially wetted by two immiscible fluids can become confined to fluid-fluid interfaces. At sufficiently high volume fractions, the colloids may jam and the interface may crystallize. The fluids together with the interfacial colloids form an emulsion with interesting material properties and offer an important route to new soft materials. A promising approach to simulate these emulsions was presented in Aland et al. [Phys. Fluids 23, 062103 (2011)], where a Navier-Stokes-Cahn-Hilliard model for the macroscopic two-phase fluid system was combined with a surface phase-field-crystal model for the microscopic colloidal particles along the interface. Unfortunately this model leads to spurious velocities which require very fine spatial and temporal resolutions to accurately and stably simulate. In this paper we develop an improved Navier-Stokes-Cahn-Hilliard-surface phase-field-crystal model based on the principles of mass conservation and thermodynamic consistency. To validate our approach, we derive a sharp interface model and show agreement with the improved diffuse interface model. Using simple flow configurations, we show that the new model has much better properties and does not lead to spurious velocities. Finally, we demonstrate the solid-like behavior of the crystallized interface by simulating the fall of a solid ball through a colloid-laden multiphase fluid. PMID:23214691

Wide Band Spurious Suppression of Multi-Strip Resonator BPF —Comprehensive Way to Suppress Spurious Responses in BPFs—

NASA Astrophysics Data System (ADS)

Awai, Ikuo

A new comprehensive method to suppress the spurious modes in a BPF is proposed taking the multi-strip resonator BPF as an example. It consists of disturbing the resonant frequency, coupling coefficient and external Q of the higher-order modes at the same time. The designed example has shown an extraordinarily good out-of-band response in the computer simulation.

A general population-genetic model for the production by population structure of spurious genotype-phenotype associations in discrete, admixed or spatially distributed populations.

PubMed

Rosenberg, Noah A; Nordborg, Magnus

2006-07-01

In linkage disequilibrium mapping of genetic variants causally associated with phenotypes, spurious associations can potentially be generated by any of a variety of types of population structure. However, mathematical theory of the production of spurious associations has largely been restricted to population structure models that involve the sampling of individuals from a collection of discrete subpopulations. Here, we introduce a general model of spurious association in structured populations, appropriate whether the population structure involves discrete groups, admixture among such groups, or continuous variation across space. Under the assumptions of the model, we find that a single common principle--applicable to both the discrete and admixed settings as well as to spatial populations--gives a necessary and sufficient condition for the occurrence of spurious associations. Using a mathematical connection between the discrete and admixed cases, we show that in admixed populations, spurious associations are less severe than in corresponding mixtures of discrete subpopulations, especially when the variance of admixture across individuals is small. This observation, together with the results of simulations that examine the relative influences of various model parameters, has important implications for the design and analysis of genetic association studies in structured populations.

Spurious RF signals emitted by mini-UAVs

NASA Astrophysics Data System (ADS)

Schleijpen, Ric (H. M. A.); Voogt, Vincent; Zwamborn, Peter; van den Oever, Jaap

2016-10-01

This paper presents experimental work on the detection of spurious RF emissions of mini Unmanned Aerial Vehicles (mini-UAV). Many recent events have shown that mini-UAVs can be considered as a potential threat for civil security. For this reason the detection of mini-UAVs has become of interest to the sensor community. The detection, classification and identification chain can take advantage of different sensor technologies. Apart from the signatures used by radar and electro-optical sensor systems, the UAV also emits RF signals. These RF signatures can be split in intentional signals for communication with the operator and un-intentional RF signals emitted by the UAV. These unintentional or spurious RF emissions are very weak but could be used to discriminate potential UAV detections from false alarms. The goal of this research was to assess the potential of exploiting spurious emissions in the classification and identification chain of mini-UAVs. It was already known that spurious signals are very weak, but the focus was on the question whether the emission pattern could be correlated to the behaviour of the UAV. In this paper experimental examples of spurious RF emission for different types of mini-UAVs and their correlation with the electronic circuits in the UAVs will be shown

A residual-based shock capturing scheme for the continuous/discontinuous spectral element solution of the 2D shallow water equations

NASA Astrophysics Data System (ADS)

Marras, Simone; Kopera, Michal A.; Constantinescu, Emil M.; Suckale, Jenny; Giraldo, Francis X.

2018-04-01

The high-order numerical solution of the non-linear shallow water equations is susceptible to Gibbs oscillations in the proximity of strong gradients. In this paper, we tackle this issue by presenting a shock capturing model based on the numerical residual of the solution. Via numerical tests, we demonstrate that the model removes the spurious oscillations in the proximity of strong wave fronts while preserving their strength. Furthermore, for coarse grids, it prevents energy from building up at small wave-numbers. When applied to the continuity equation to stabilize the water surface, the addition of the shock capturing scheme does not affect mass conservation. We found that our model improves the continuous and discontinuous Galerkin solutions alike in the proximity of sharp fronts propagating on wet surfaces. In the presence of wet/dry interfaces, however, the model needs to be enhanced with the addition of an inundation scheme which, however, we do not address in this paper.

3D numerical simulations of oblique droplet impact onto a deep liquid pool

NASA Astrophysics Data System (ADS)

Gelderblom, Hanneke; Reijers, Sten A.; Gielen, Marise; Sleutel, Pascal; Lohse, Detlef; Xie, Zhihua; Pain, Christopher C.; Matar, Omar K.

2017-11-01

We study the fluid dynamics of three-dimensional oblique droplet impact, which results in phenomena that include splashing and cavity formation. An adaptive, unstructured mesh modelling framework is employed here, which can modify and adapt unstructured meshes to better represent the underlying physics of droplet dynamics, and reduce computational effort without sacrificing accuracy. The numerical framework consists of a mixed control-volume and finite-element formulation, a volume-of-fluid-type method for the interface-capturing based on a compressive control-volume advection method. The framework also features second-order finite-element methods, and a force-balanced algorithm for the surface tension implementation, minimising the spurious velocities often found in many simulations involving capillary-driven flows. The numerical results generated using this framework are compared with high-speed images of the interfacial shapes of the deformed droplet, and the cavity formed upon impact, yielding good agreement. EPSRC, UK, MEMPHIS program Grant (EP/K003976/1), RAEng Research Chair (OKM).

Numerical simulation of double‐diffusive finger convection

USGS Publications Warehouse

Hughes, Joseph D.; Sanford, Ward E.; Vacher, H. Leonard

2005-01-01

A hybrid finite element, integrated finite difference numerical model is developed for the simulation of double‐diffusive and multicomponent flow in two and three dimensions. The model is based on a multidimensional, density‐dependent, saturated‐unsaturated transport model (SUTRA), which uses one governing equation for fluid flow and another for solute transport. The solute‐transport equation is applied sequentially to each simulated species. Density coupling of the flow and solute‐transport equations is accounted for and handled using a sequential implicit Picard iterative scheme. High‐resolution data from a double‐diffusive Hele‐Shaw experiment, initially in a density‐stable configuration, is used to verify the numerical model. The temporal and spatial evolution of simulated double‐diffusive convection is in good agreement with experimental results. Numerical results are very sensitive to discretization and correspond closest to experimental results when element sizes adequately define the spatial resolution of observed fingering. Numerical results also indicate that differences in the molecular diffusivity of sodium chloride and the dye used to visualize experimental sodium chloride concentrations are significant and cause inaccurate mapping of sodium chloride concentrations by the dye, especially at late times. As a result of reduced diffusion, simulated dye fingers are better defined than simulated sodium chloride fingers and exhibit more vertical mass transfer.

Algorithm For Hypersonic Flow In Chemical Equilibrium

NASA Technical Reports Server (NTRS)

Palmer, Grant

1989-01-01

Implicit, finite-difference, shock-capturing algorithm calculates inviscid, hypersonic flows in chemical equilibrium. Implicit formulation chosen because overcomes limitation on mathematical stability encountered in explicit formulations. For dynamical portion of problem, Euler equations written in conservation-law form in Cartesian coordinate system for two-dimensional or axisymmetric flow. For chemical portion of problem, equilibrium state of gas at each point in computational grid determined by minimizing local Gibbs free energy, subject to local conservation of molecules, atoms, ions, and total enthalpy. Major advantage: resulting algorithm naturally stable and captures strong shocks without help of artificial-dissipation terms to damp out spurious numerical oscillations.

New features in McStas, version 1.5

NASA Astrophysics Data System (ADS)

Åstrand, P.-O.; Lefmann, K.; Farhi, E.; Nielsen, K.; Skårup, P.

The neutron ray-tracing simulation package McStas has attracted numerous users, and the development of the package continues with version 1.5 released at the ICNS 2001 conference. New features include: support for neutron polarisation, labelling of neutrons, realistic source and sample components, and interface to the Riso instrument-control software TASCOM. We give a general introduction to McStas and present the latest developments. In particular, we give an example of how the neutron-label option has been used to locate the origin of a spurious side-peak, observed in an experiment with RITA-1 at Riso.

Orientation of doubly rotated quartz plates.

PubMed

Sherman, J R

1989-01-01

A derivation from classical spherical trigonometry of equations to compute the orientation of doubly-rotated quartz blanks from Bragg X-ray data is discussed. These are usually derived by compact and efficient vector methods, which are reviewed briefly. They are solved by generating a quadratic equation with numerical coefficients. Two methods exist for performing the computation from measurements against two planes: a direct solution by a quadratic equation and a process of convergent iteration. Both have a spurious solution. Measurement against three lattice planes yields a set of three linear equations the solution of which is an unambiguous result.

Implicit Total Variation Diminishing (TVD) schemes for steady-state calculations

NASA Technical Reports Server (NTRS)

Yee, H. C.; Warming, R. F.; Harten, A.

1983-01-01

The application of a new implicit unconditionally stable high resolution total variation diminishing (TVD) scheme to steady state calculations. It is a member of a one parameter family of explicit and implicit second order accurate schemes developed by Harten for the computation of weak solutions of hyperbolic conservation laws. This scheme is guaranteed not to generate spurious oscillations for a nonlinear scalar equation and a constant coefficient system. Numerical experiments show that this scheme not only has a rapid convergence rate, but also generates a highly resolved approximation to the steady state solution. A detailed implementation of the implicit scheme for the one and two dimensional compressible inviscid equations of gas dynamics is presented. Some numerical computations of one and two dimensional fluid flows containing shocks demonstrate the efficiency and accuracy of this new scheme.

TrackArt: the user friendly interface for single molecule tracking data analysis and simulation applied to complex diffusion in mica supported lipid bilayers.

PubMed

Matysik, Artur; Kraut, Rachel S

2014-05-01

Single molecule tracking (SMT) analysis of fluorescently tagged lipid and protein probes is an attractive alternative to ensemble averaged methods such as fluorescence correlation spectroscopy (FCS) or fluorescence recovery after photobleaching (FRAP) for measuring diffusion in artificial and plasma membranes. The meaningful estimation of diffusion coefficients and their errors is however not straightforward, and is heavily dependent on sample type, acquisition method, and equipment used. Many approaches require advanced computing and programming skills for their implementation. Here we present TrackArt software, an accessible graphic interface for simulation and complex analysis of multiple particle paths. Imported trajectories can be filtered to eliminate spurious or corrupted tracks, and are then analyzed using several previously described methodologies, to yield single or multiple diffusion coefficients, their population fractions, and estimated errors. We use TrackArt to analyze the single-molecule diffusion behavior of a sphingolipid analog SM-Atto647N, in mica supported DOPC (1,2-dioleoyl-sn-glycero-3-phosphocholine) bilayers. Fitting with a two-component diffusion model confirms the existence of two separate populations of diffusing particles in these bilayers on mica. As a demonstration of the TrackArt workflow, we characterize and discuss the effective activation energies required to increase the diffusion rates of these populations, obtained from Arrhenius plots of temperature-dependent diffusion. Finally, TrackArt provides a simulation module, allowing the user to generate models with multiple particle trajectories, diffusing with different characteristics. Maps of domains, acting as impermeable or permeable obstacles for particles diffusing with given rate constants and diffusion coefficients, can be simulated or imported from an image. Importantly, this allows one to use simulated data with a known diffusion behavior as a comparison for results acquired using particular algorithms on actual, "natural" samples whose diffusion behavior is to be extracted. It can also serve as a tool for demonstrating diffusion principles. TrackArt is an open source, platform-independent, Matlab-based graphical user interface, and is easy to use even for those unfamiliar with the Matlab programming environment. TrackArt can be used for accurate simulation and analysis of complex diffusion data, such as diffusion in lipid bilayers, providing publication-quality formatted results.

Boundary particle method for Laplace transformed time fractional diffusion equations

NASA Astrophysics Data System (ADS)

Fu, Zhuo-Jia; Chen, Wen; Yang, Hai-Tian

2013-02-01

This paper develops a novel boundary meshless approach, Laplace transformed boundary particle method (LTBPM), for numerical modeling of time fractional diffusion equations. It implements Laplace transform technique to obtain the corresponding time-independent inhomogeneous equation in Laplace space and then employs a truly boundary-only meshless boundary particle method (BPM) to solve this Laplace-transformed problem. Unlike the other boundary discretization methods, the BPM does not require any inner nodes, since the recursive composite multiple reciprocity technique (RC-MRM) is used to convert the inhomogeneous problem into the higher-order homogeneous problem. Finally, the Stehfest numerical inverse Laplace transform (NILT) is implemented to retrieve the numerical solutions of time fractional diffusion equations from the corresponding BPM solutions. In comparison with finite difference discretization, the LTBPM introduces Laplace transform and Stehfest NILT algorithm to deal with time fractional derivative term, which evades costly convolution integral calculation in time fractional derivation approximation and avoids the effect of time step on numerical accuracy and stability. Consequently, it can effectively simulate long time-history fractional diffusion systems. Error analysis and numerical experiments demonstrate that the present LTBPM is highly accurate and computationally efficient for 2D and 3D time fractional diffusion equations.

Efficient reactive Brownian dynamics

DOE PAGES

Donev, Aleksandar; Yang, Chiao-Yu; Kim, Changho

2018-01-21

We develop a Split Reactive Brownian Dynamics (SRBD) algorithm for particle simulations of reaction-diffusion systems based on the Doi or volume reactivity model, in which pairs of particles react with a specified Poisson rate if they are closer than a chosen reactive distance. In our Doi model, we ensure that the microscopic reaction rules for various association and dissociation reactions are consistent with detailed balance (time reversibility) at thermodynamic equilibrium. The SRBD algorithm uses Strang splitting in time to separate reaction and diffusion and solves both the diffusion-only and reaction-only subproblems exactly, even at high packing densities. To efficiently processmore » reactions without uncontrolled approximations, SRBD employs an event-driven algorithm that processes reactions in a time-ordered sequence over the duration of the time step. A grid of cells with size larger than all of the reactive distances is used to schedule and process the reactions, but unlike traditional grid-based methods such as reaction-diffusion master equation algorithms, the results of SRBD are statistically independent of the size of the grid used to accelerate the processing of reactions. We use the SRBD algorithm to compute the effective macroscopic reaction rate for both reaction-limited and diffusion-limited irreversible association in three dimensions and compare to existing theoretical predictions at low and moderate densities. We also study long-time tails in the time correlation functions for reversible association at thermodynamic equilibrium and compare to recent theoretical predictions. Finally, we compare different particle and continuum methods on a model exhibiting a Turing-like instability and pattern formation. Our studies reinforce the common finding that microscopic mechanisms and correlations matter for diffusion-limited systems, making continuum and even mesoscopic modeling of such systems difficult or impossible. We also find that for models in which particles diffuse off lattice, such as the Doi model, reactions lead to a spurious enhancement of the effective diffusion coefficients.« less

Efficient reactive Brownian dynamics

NASA Astrophysics Data System (ADS)

Donev, Aleksandar; Yang, Chiao-Yu; Kim, Changho

2018-01-01

We develop a Split Reactive Brownian Dynamics (SRBD) algorithm for particle simulations of reaction-diffusion systems based on the Doi or volume reactivity model, in which pairs of particles react with a specified Poisson rate if they are closer than a chosen reactive distance. In our Doi model, we ensure that the microscopic reaction rules for various association and dissociation reactions are consistent with detailed balance (time reversibility) at thermodynamic equilibrium. The SRBD algorithm uses Strang splitting in time to separate reaction and diffusion and solves both the diffusion-only and reaction-only subproblems exactly, even at high packing densities. To efficiently process reactions without uncontrolled approximations, SRBD employs an event-driven algorithm that processes reactions in a time-ordered sequence over the duration of the time step. A grid of cells with size larger than all of the reactive distances is used to schedule and process the reactions, but unlike traditional grid-based methods such as reaction-diffusion master equation algorithms, the results of SRBD are statistically independent of the size of the grid used to accelerate the processing of reactions. We use the SRBD algorithm to compute the effective macroscopic reaction rate for both reaction-limited and diffusion-limited irreversible association in three dimensions and compare to existing theoretical predictions at low and moderate densities. We also study long-time tails in the time correlation functions for reversible association at thermodynamic equilibrium and compare to recent theoretical predictions. Finally, we compare different particle and continuum methods on a model exhibiting a Turing-like instability and pattern formation. Our studies reinforce the common finding that microscopic mechanisms and correlations matter for diffusion-limited systems, making continuum and even mesoscopic modeling of such systems difficult or impossible. We also find that for models in which particles diffuse off lattice, such as the Doi model, reactions lead to a spurious enhancement of the effective diffusion coefficients.

Efficient reactive Brownian dynamics

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

Donev, Aleksandar; Yang, Chiao-Yu; Kim, Changho

We develop a Split Reactive Brownian Dynamics (SRBD) algorithm for particle simulations of reaction-diffusion systems based on the Doi or volume reactivity model, in which pairs of particles react with a specified Poisson rate if they are closer than a chosen reactive distance. In our Doi model, we ensure that the microscopic reaction rules for various association and dissociation reactions are consistent with detailed balance (time reversibility) at thermodynamic equilibrium. The SRBD algorithm uses Strang splitting in time to separate reaction and diffusion and solves both the diffusion-only and reaction-only subproblems exactly, even at high packing densities. To efficiently processmore » reactions without uncontrolled approximations, SRBD employs an event-driven algorithm that processes reactions in a time-ordered sequence over the duration of the time step. A grid of cells with size larger than all of the reactive distances is used to schedule and process the reactions, but unlike traditional grid-based methods such as reaction-diffusion master equation algorithms, the results of SRBD are statistically independent of the size of the grid used to accelerate the processing of reactions. We use the SRBD algorithm to compute the effective macroscopic reaction rate for both reaction-limited and diffusion-limited irreversible association in three dimensions and compare to existing theoretical predictions at low and moderate densities. We also study long-time tails in the time correlation functions for reversible association at thermodynamic equilibrium and compare to recent theoretical predictions. Finally, we compare different particle and continuum methods on a model exhibiting a Turing-like instability and pattern formation. Our studies reinforce the common finding that microscopic mechanisms and correlations matter for diffusion-limited systems, making continuum and even mesoscopic modeling of such systems difficult or impossible. We also find that for models in which particles diffuse off lattice, such as the Doi model, reactions lead to a spurious enhancement of the effective diffusion coefficients.« less

Comparison of AIRS Version-6 OLR Climatologies and Anomaly Time Series with Those of CERES and MERRA-2

NASA Technical Reports Server (NTRS)

Susskind, Joel; Lee, Jae; Iredell, Lena

2016-01-01

RCs of AIRS and MERRA-2 500 mb specific humidity agree very well in terms of spatial patterns, but MERRA-2 ARCs are larger in magnitude and show a spurious moistening globally and over Central Africa. AIRS and MERRA-2 fractional cloud cover ARCs agree less well with each other. MERRA-2 shows a spurious global mean increase in cloud cover that is not found in AIRS, including a large spurious cloud increase in Central Africa. AIRS and MERRA-2 ARCs of surface skin and surface air temperatures are all similar to each other in patterns. AIRS shows a small global warming over the 13 year period, while MERRA-2 shows a small global cooling. This difference results primarily from spurious MERRA-2 temperature trends at high latitudes and over Central Africa. These differences all contribute to the spurious negative global MERRA-2 OLR trend. AIRS Version-6 confirms that 2015 is the warmest year on record and that the Earth's surface is continuing to warm.

Numerical schemes for anomalous diffusion of single-phase fluids in porous media

NASA Astrophysics Data System (ADS)

Awotunde, Abeeb A.; Ghanam, Ryad A.; Al-Homidan, Suliman S.; Tatar, Nasser-eddine

2016-10-01

Simulation of fluid flow in porous media is an indispensable part of oil and gas reservoir management. Accurate prediction of reservoir performance and profitability of investment rely on our ability to model the flow behavior of reservoir fluids. Over the years, numerical reservoir simulation models have been based mainly on solutions to the normal diffusion of fluids in the porous reservoir. Recently, however, it has been documented that fluid flow in porous media does not always follow strictly the normal diffusion process. Small deviations from normal diffusion, called anomalous diffusion, have been reported in some experimental studies. Such deviations can be caused by different factors such as the viscous state of the fluid, the fractal nature of the porous media and the pressure pulse in the system. In this work, we present explicit and implicit numerical solutions to the anomalous diffusion of single-phase fluids in heterogeneous reservoirs. An analytical solution is used to validate the numerical solution to the simple homogeneous case. The conventional wellbore flow model is modified to account for anomalous behavior. Example applications are used to show the behavior of wellbore and wellblock pressures during the single-phase anomalous flow of fluids in the reservoirs considered.

Tractography optimization using quantitative T1 mapping in the human optic radiation.

PubMed

Schurr, Roey; Duan, Yiran; Norcia, Anthony M; Ogawa, Shumpei; Yeatman, Jason D; Mezer, Aviv A

2018-06-21

Diffusion MRI tractography is essential for reconstructing white-matter projections in the living human brain. Yet tractography results miss some projections and falsely identify others. A challenging example is the optic radiation (OR) that connects the thalamus and the primary visual cortex. Here, we tested whether OR tractography can be optimized using quantitative T1 mapping. Based on histology, we proposed that myelin-sensitive T1 values along the OR should remain consistently low compared with adjacent white matter. We found that complementary information from the T1 map allows for increasing the specificity of the reconstructed OR tract by eliminating falsely identified projections. This T1-filtering outperforms other, diffusion-based tractography filters. These results provide evidence that the smooth microstructural signature along the tract can be used as constructive input for tractography. Finally, we demonstrate that this approach can be generalized to the HCP-available MRI measurements. We conclude that multimodal MRI microstructural information can be used to eliminate spurious tractography results in the case of the OR. Copyright © 2018. Published by Elsevier Inc.

Monochromatic radio frequency accelerating cavity

DOEpatents

Giordano, S.

1984-02-09

A radio frequency resonant cavity having a fundamental resonant frequency and characterized by being free of spurious modes. A plurality of spaced electrically conductive bars are arranged in a generally cylindrical array within the cavity to define a chamber between the bars and an outer solid cylindrically shaped wall of the cavity. A first and second plurality of mode perturbing rods are mounted in two groups at determined random locations to extend radially and axially into the cavity thereby to perturb spurious modes and cause their fields to extend through passageways between the bars and into the chamber. At least one body of lossy material is disposed within the chamber to damp all spurious modes that do extend into the chamber thereby enabling the cavity to operate free of undesired spurious modes.

Monochromatic radio frequency accelerating cavity

DOEpatents

Giordano, Salvatore

1985-01-01

A radio frequency resonant cavity having a fundamental resonant frequency and characterized by being free of spurious modes. A plurality of spaced electrically conductive bars are arranged in a generally cylindrical array within the cavity to define a chamber between the bars and an outer solid cylindrically shaped wall of the cavity. A first and second plurality of mode perturbing rods are mounted in two groups at determined random locations to extend radially and axially into the cavity thereby to perturb spurious modes and cause their fields to extend through passageways between the bars and into the chamber. At least one body of lossy material is disposed within the chamber to damp all spurious modes that do extend into the chamber thereby enabling the cavity to operate free of undesired spurious modes.

Propagation of diffuse light in a turbid medium with multiple spherical inhomogeneities.

PubMed

Pustovit, Vitaliy N; Markel, Vadim A

2004-01-01

We develop a fast and accurate solver for the forward problem of diffusion tomography in the case of several spherical inhomogeneities. The approach allows one to take into account multiple scattering of diffuse waves between different inhomogeneities. Theoretical results are illustrated with numerical examples; excellent numerical convergence and efficiency are demonstrated. The method is generalized for the case of additional planar diffuse-nondiffuse interfaces and is therefore applicable to the half-space and slab imaging geometries.

How to Find a Bug in Ten Thousand Lines Transport Solver? Outline of Experiences from AN Advection-Diffusion Code Verification

NASA Astrophysics Data System (ADS)

Zamani, K.; Bombardelli, F.

2011-12-01

Almost all natural phenomena on Earth are highly nonlinear. Even simplifications to the equations describing nature usually end up being nonlinear partial differential equations. Transport (ADR) equation is a pivotal equation in atmospheric sciences and water quality. This nonlinear equation needs to be solved numerically for practical purposes so academicians and engineers thoroughly rely on the assistance of numerical codes. Thus, numerical codes require verification before they are utilized for multiple applications in science and engineering. Model verification is a mathematical procedure whereby a numerical code is checked to assure the governing equation is properly solved as it is described in the design document. CFD verification is not a straightforward and well-defined course. Only a complete test suite can uncover all the limitations and bugs. Results are needed to be assessed to make a distinction between bug-induced-defect and innate limitation of a numerical scheme. As Roache (2009) said, numerical verification is a state-of-the-art procedure. Sometimes novel tricks work out. This study conveys the synopsis of the experiences we gained during a comprehensive verification process which was done for a transport solver. A test suite was designed including unit tests and algorithmic tests. Tests were layered in complexity in several dimensions from simple to complex. Acceptance criteria defined for the desirable capabilities of the transport code such as order of accuracy, mass conservation, handling stiff source term, spurious oscillation, and initial shape preservation. At the begining, mesh convergence study which is the main craft of the verification is performed. To that end, analytical solution of ADR equation gathered. Also a new solution was derived. In the more general cases, lack of analytical solution could be overcome through Richardson Extrapolation and Manufactured Solution. Then, two bugs which were concealed during the mesh convergence study uncovered with the method of false injection and visualization of the results. Symmetry had dual functionality: there was a bug, which was hidden due to the symmetric nature of a test (it was detected afterward utilizing artificial false injection), on the other hand self-symmetry was used to design a new test, and in a case the analytical solution of the ADR equation was unknown. Assisting subroutines designed to check and post-process conservation of mass and oscillatory behavior. Finally, capability of the solver also checked for stiff reaction source term. The above test suite not only was a decent tool of error detection but also it provided a thorough feedback on the ADR solvers limitations. Such information is the crux of any rigorous numerical modeling for a modeler who deals with surface/subsurface pollution transport.

Evaluation of two-phase flow solvers using Level Set and Volume of Fluid methods

NASA Astrophysics Data System (ADS)

Bilger, C.; Aboukhedr, M.; Vogiatzaki, K.; Cant, R. S.

2017-09-01

Two principal methods have been used to simulate the evolution of two-phase immiscible flows of liquid and gas separated by an interface. These are the Level-Set (LS) method and the Volume of Fluid (VoF) method. Both methods attempt to represent the very sharp interface between the phases and to deal with the large jumps in physical properties associated with it. Both methods have their own strengths and weaknesses. For example, the VoF method is known to be prone to excessive numerical diffusion, while the basic LS method has some difficulty in conserving mass. Major progress has been made in remedying these deficiencies, and both methods have now reached a high level of physical accuracy. Nevertheless, there remains an issue, in that each of these methods has been developed by different research groups, using different codes and most importantly the implementations have been fine tuned to tackle different applications. Thus, it remains unclear what are the remaining advantages and drawbacks of each method relative to the other, and what might be the optimal way to unify them. In this paper, we address this gap by performing a direct comparison of two current state-of-the-art variations of these methods (LS: RCLSFoam and VoF: interPore) and implemented in the same code (OpenFoam). We subject both methods to a pair of benchmark test cases while using the same numerical meshes to examine a) the accuracy of curvature representation, b) the effect of tuning parameters, c) the ability to minimise spurious velocities and d) the ability to tackle fluids with very different densities. For each method, one of the test cases is chosen to be fairly benign while the other test case is expected to present a greater challenge. The results indicate that both methods can be made to work well on both test cases, while displaying different sensitivity to the relevant parameters.

Spurious Excitations in Semiclassical Scattering Theory.

ERIC Educational Resources Information Center

Gross, D. H. E.; And Others

1980-01-01

Shows how through proper handling of the nonuniform motion of semiclassical coordinates spurious excitation terms are eliminated. An application to the problem of nuclear Coulomb excitation is presented as an example. (HM)

Diffusion Influenced Adsorption Kinetics.

PubMed

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.

A direct numerical method for predicting concentration profiles in a turbulent boundary layer over a flat plate. M.S. Thesis

NASA Technical Reports Server (NTRS)

Dow, J. W.

1972-01-01

A numerical solution of the turbulent mass transport equation utilizing the concept of eddy diffusivity is presented as an efficient method of investigating turbulent mass transport in boundary layer type flows. A FORTRAN computer program is used to study the two-dimensional diffusion of ammonia, from a line source on the surface, into a turbulent boundary layer over a flat plate. The results of the numerical solution are compared with experimental data to verify the results of the solution. Several other solutions to diffusion problems are presented to illustrate the versatility of the computer program and to provide some insight into the problem of mass diffusion as a whole.

An enriched finite element method to fractional advection-diffusion equation

NASA Astrophysics Data System (ADS)

Luan, Shengzhi; Lian, Yanping; Ying, Yuping; Tang, Shaoqiang; Wagner, Gregory J.; Liu, Wing Kam

2017-08-01

In this paper, an enriched finite element method with fractional basis [ 1,x^{α }] for spatial fractional partial differential equations is proposed to obtain more stable and accurate numerical solutions. For pure fractional diffusion equation without advection, the enriched Galerkin finite element method formulation is demonstrated to simulate the exact solution successfully without any numerical oscillation, which is advantageous compared to the traditional Galerkin finite element method with integer basis [ 1,x] . For fractional advection-diffusion equation, the oscillatory behavior becomes complex due to the introduction of the advection term which can be characterized by a fractional element Peclet number. For the purpose of addressing the more complex numerical oscillation, an enriched Petrov-Galerkin finite element method is developed by using a dimensionless fractional stabilization parameter, which is formulated through a minimization of the residual of the nodal solution. The effectiveness and accuracy of the enriched finite element method are demonstrated by a series of numerical examples of fractional diffusion equation and fractional advection-diffusion equation, including both one-dimensional and two-dimensional, steady-state and time-dependent cases.

Improving the realism of white matter numerical phantoms: a step towards a better understanding of the influence of structural disorders in diffusion MRI

NASA Astrophysics Data System (ADS)

Ginsburger, Kévin; Poupon, Fabrice; Beaujoin, Justine; Estournet, Delphine; Matuschke, Felix; Mangin, Jean-François; Axer, Markus; Poupon, Cyril

2018-02-01

White matter is composed of irregularly packed axons leading to a structural disorder in the extra-axonal space. Diffusion MRI experiments using oscillating gradient spin echo sequences have shown that the diffusivity transverse to axons in this extra-axonal space is dependent on the frequency of the employed sequence. In this study, we observe the same frequency-dependence using 3D simulations of the diffusion process in disordered media. We design a novel white matter numerical phantom generation algorithm which constructs biomimicking geometric configurations with few design parameters, and enables to control the level of disorder of the generated phantoms. The influence of various geometrical parameters present in white matter, such as global angular dispersion, tortuosity, presence of Ranvier nodes, beading, on the extra-cellular perpendicular diffusivity frequency dependence was investigated by simulating the diffusion process in numerical phantoms of increasing complexity and fitting the resulting simulated diffusion MR signal attenuation with an adequate analytical model designed for trapezoidal OGSE sequences. This work suggests that angular dispersion and especially beading have non-negligible effects on this extracellular diffusion metrics that may be measured using standard OGSE DW-MRI clinical protocols.

Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework.

PubMed

Berger, Daniel; Logsdail, Andrew J; Oberhofer, Harald; Farrow, Matthew R; Catlow, C Richard A; Sherwood, Paul; Sokol, Alexey A; Blum, Volker; Reuter, Karsten

2014-07-14

We integrate the all-electron electronic structure code FHI-aims into the general ChemShell package for solid-state embedding quantum and molecular mechanical (QM/MM) calculations. A major undertaking in this integration is the implementation of pseudopotential functionality into FHI-aims to describe cations at the QM/MM boundary through effective core potentials and therewith prevent spurious overpolarization of the electronic density. Based on numeric atomic orbital basis sets, FHI-aims offers particularly efficient access to exact exchange and second order perturbation theory, rendering the established QM/MM setup an ideal tool for hybrid and double-hybrid level density functional theory calculations of solid systems. We illustrate this capability by calculating the reduction potential of Fe in the Fe-substituted ZSM-5 zeolitic framework and the reaction energy profile for (photo-)catalytic water oxidation at TiO2(110).

Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework

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

Berger, Daniel, E-mail: daniel.berger@ch.tum.de; Oberhofer, Harald; Reuter, Karsten

2014-07-14

We integrate the all-electron electronic structure code FHI-aims into the general ChemShell package for solid-state embedding quantum and molecular mechanical (QM/MM) calculations. A major undertaking in this integration is the implementation of pseudopotential functionality into FHI-aims to describe cations at the QM/MM boundary through effective core potentials and therewith prevent spurious overpolarization of the electronic density. Based on numeric atomic orbital basis sets, FHI-aims offers particularly efficient access to exact exchange and second order perturbation theory, rendering the established QM/MM setup an ideal tool for hybrid and double-hybrid level density functional theory calculations of solid systems. We illustrate this capabilitymore » by calculating the reduction potential of Fe in the Fe-substituted ZSM-5 zeolitic framework and the reaction energy profile for (photo-)catalytic water oxidation at TiO{sub 2}(110)« less

Riemann Solvers in Relativistic Hydrodynamics: Basics and Astrophysical Applications

NASA Astrophysics Data System (ADS)

Ibanez, Jose M.

2001-12-01

My contribution to these proceedings summarizes a general overview on t High Resolution Shock Capturing methods (HRSC) in the field of relativistic hydrodynamics with special emphasis on Riemann solvers. HRSC techniques achieve highly accurate numerical approximations (formally second order or better) in smooth regions of the flow, and capture the motion of unresolved steep gradients without creating spurious oscillations. In the first part I will show how these techniques have been extended to relativistic hydrodynamics, making it possible to explore some challenging astrophysical scenarios. I will review recent literature concerning the main properties of different special relativistic Riemann solvers, and discuss several 1D and 2D test problems which are commonly used to evaluate the performance of numerical methods in relativistic hydrodynamics. In the second part I will illustrate the use of HRSC methods in several astrophysical applications where special and general relativistic hydrodynamical processes play a crucial role.

DualSPHysics: A numerical tool to simulate real breakwaters

NASA Astrophysics Data System (ADS)

Zhang, Feng; Crespo, Alejandro; Altomare, Corrado; Domínguez, José; Marzeddu, Andrea; Shang, Shao-ping; Gómez-Gesteira, Moncho

2018-02-01

The open-source code DualSPHysics is used in this work to compute the wave run-up in an existing dike in the Chinese coast using realistic dimensions, bathymetry and wave conditions. The GPU computing power of the DualSPHysics allows simulating real-engineering problems that involve complex geometries with a high resolution in a reasonable computational time. The code is first validated by comparing the numerical free-surface elevation, the wave orbital velocities and the time series of the run-up with physical data in a wave flume. Those experiments include a smooth dike and an armored dike with two layers of cubic blocks. After validation, the code is applied to a real case to obtain the wave run-up under different incident wave conditions. In order to simulate the real open sea, the spurious reflections from the wavemaker are removed by using an active wave absorption technique.

Accounting for Population Structure in Gene-by-Environment Interactions in Genome-Wide Association Studies Using Mixed Models.

PubMed

Sul, Jae Hoon; Bilow, Michael; Yang, Wen-Yun; Kostem, Emrah; Furlotte, Nick; He, Dan; Eskin, Eleazar

2016-03-01

Although genome-wide association studies (GWASs) have discovered numerous novel genetic variants associated with many complex traits and diseases, those genetic variants typically explain only a small fraction of phenotypic variance. Factors that account for phenotypic variance include environmental factors and gene-by-environment interactions (GEIs). Recently, several studies have conducted genome-wide gene-by-environment association analyses and demonstrated important roles of GEIs in complex traits. One of the main challenges in these association studies is to control effects of population structure that may cause spurious associations. Many studies have analyzed how population structure influences statistics of genetic variants and developed several statistical approaches to correct for population structure. However, the impact of population structure on GEI statistics in GWASs has not been extensively studied and nor have there been methods designed to correct for population structure on GEI statistics. In this paper, we show both analytically and empirically that population structure may cause spurious GEIs and use both simulation and two GWAS datasets to support our finding. We propose a statistical approach based on mixed models to account for population structure on GEI statistics. We find that our approach effectively controls population structure on statistics for GEIs as well as for genetic variants.

NUMERICAL METHODS FOR SOLVING THE MULTI-TERM TIME-FRACTIONAL WAVE-DIFFUSION EQUATION.

PubMed

Liu, F; Meerschaert, M M; McGough, R J; Zhuang, P; Liu, Q

2013-03-01

In this paper, the multi-term time-fractional wave-diffusion equations are considered. The multi-term time fractional derivatives are defined in the Caputo sense, whose orders belong to the intervals [0,1], [1,2), [0,2), [0,3), [2,3) and [2,4), respectively. Some computationally effective numerical methods are proposed for simulating the multi-term time-fractional wave-diffusion equations. The numerical results demonstrate the effectiveness of theoretical analysis. These methods and techniques can also be extended to other kinds of the multi-term fractional time-space models with fractional Laplacian.

NUMERICAL METHODS FOR SOLVING THE MULTI-TERM TIME-FRACTIONAL WAVE-DIFFUSION EQUATION

PubMed Central

Liu, F.; Meerschaert, M.M.; McGough, R.J.; Zhuang, P.; Liu, Q.

2013-01-01

In this paper, the multi-term time-fractional wave-diffusion equations are considered. The multi-term time fractional derivatives are defined in the Caputo sense, whose orders belong to the intervals [0,1], [1,2), [0,2), [0,3), [2,3) and [2,4), respectively. Some computationally effective numerical methods are proposed for simulating the multi-term time-fractional wave-diffusion equations. The numerical results demonstrate the effectiveness of theoretical analysis. These methods and techniques can also be extended to other kinds of the multi-term fractional time-space models with fractional Laplacian. PMID:23772179

Numerical Modeling of HgCdTe Solidification: Effects of Phase Diagram, Double-Diffusion Convection and Microgravity Level

NASA Technical Reports Server (NTRS)

Bune, Andris V.; Gillies, Donald C.; Lehoczky, Sandor L.

1997-01-01

Melt convection, along with species diffusion and segregation on the solidification interface are the primary factors responsible for species redistribution during HgCdTe crystal growth from the melt. As no direct information about convection velocity is available, numerical modeling is a logical approach to estimate convection. Furthermore influence of microgravity level, double-diffusion and material properties should be taken into account. In the present study, HgCdTe is considered as a binary alloy with melting temperature available from a phase diagram. The numerical model of convection and solidification of binary alloy is based on the general equations of heat and mass transfer in two-dimensional region. Mathematical modeling of binary alloy solidification is still a challenging numericial problem. A Rigorous mathematical approach to this problem is available only when convection is not considered at all. The proposed numerical model was developed using the finite element code FIDAP. In the present study, the numerical model is used to consider thermal, solutal convection and a double diffusion source of mass transport.

Diffusion of Zonal Variables Using Node-Centered Diffusion Solver

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

Yang, T B

2007-08-06

Tom Kaiser [1] has done some preliminary work to use the node-centered diffusion solver (originally developed by T. Palmer [2]) in Kull for diffusion of zonal variables such as electron temperature. To avoid numerical diffusion, Tom used a scheme developed by Shestakov et al. [3] and found their scheme could, in the vicinity of steep gradients, decouple nearest-neighbor zonal sub-meshes leading to 'alternating-zone' (red-black mode) errors. Tom extended their scheme to couple the sub-meshes with appropriate chosen artificial diffusion and thereby solved the 'alternating-zone' problem. Because the choice of the artificial diffusion coefficient could be very delicate, it is desirablemore » to use a scheme that does not require the artificial diffusion but still able to avoid both numerical diffusion and the 'alternating-zone' problem. In this document we present such a scheme.« less

In Search of Multi-Peaked Reflective Spectrum with Optic Fiber Bragg Grating Sensor for Dynamic Strain Measurement

NASA Technical Reports Server (NTRS)

Tai, Hsiang

2006-01-01

In a typical optic fiber Bragg grating (FBG) strain measurement, unless in an ideal static laboratory environment, the presence of vibration or often disturbance always exists, which often creates spurious multiple peaks in the reflected spectrum, resulting in a non-unique determination of strain value. In this report we attempt to investigate the origin of this phenomenon by physical arguments and simple numerical simulation. We postulate that the fiber gratings execute small amplitude transverse vibrations changing the optical path in which the reflected light traverses slightly and non-uniformly. Ultimately, this causes the multi-peak reflected spectrum.

Geometrically derived difference formulae for the numerical integration of trajectory problems

NASA Technical Reports Server (NTRS)

Mcleod, R. J. Y.; Sanz-Serna, J. M.

1981-01-01

The term 'trajectory problem' is taken to include problems that can arise, for instance, in connection with contour plotting, or in the application of continuation methods, or during phase-plane analysis. Geometrical techniques are used to construct difference methods for these problems to produce in turn explicit and implicit circularly exact formulae. Based on these formulae, a predictor-corrector method is derived which, when compared with a closely related standard method, shows improved performance. It is found that this latter method produces spurious limit cycles, and this behavior is partly analyzed. Finally, a simple variable-step algorithm is constructed and tested.

A nonreflecting upper boundary condition for anelastic nonhydrostatic mesoscale gravity-wave models

NASA Technical Reports Server (NTRS)

Kim, Young-Joon; Kar, Sajal K.; Arakawa, Akio

1993-01-01

A sponge layer is formulated to prevent spurious reflection of vertically propagating quasi-stationary gravity waves at the upper boundary of a two-dimensional numerical anelastic nonhydrostatic model. The sponge layer includes damping of both Newtonian-cooling type and Rayleigh-friction type, whose coefficients are determined in such a way that the reflectivity of wave energy at the bottom of the layer is zero. Unlike the formulations in earlier studies, our formulation includes the effects of vertical discretization, vertical mean density variation, and nonhydrostaticity. This sponge formulation is found effective in suppressing false downward reflection of waves for various types of quasi-stationary forcing.

Interface- and discontinuity-aware numerical schemes for plasma 3-T radiation diffusion in two and three dimensions

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

Dai, William W., E-mail: dai@lanl.gov; Scannapieco, Anthony J.

2015-11-01

A set of numerical schemes is developed for two- and three-dimensional time-dependent 3-T radiation diffusion equations in systems involving multi-materials. To resolve sub-cell structure, interface reconstruction is implemented within any cell that has more than one material. Therefore, the system of 3-T radiation diffusion equations is solved on two- and three-dimensional polyhedral meshes. The focus of the development is on the fully coupling between radiation and material, the treatment of nonlinearity in the equations, i.e., in the diffusion terms and source terms, treatment of the discontinuity across cell interfaces in material properties, the formulations for both transient and steady states,more » the property for large time steps, and second order accuracy in both space and time. The discontinuity of material properties between different materials is correctly treated based on the governing physics principle for general polyhedral meshes and full nonlinearity. The treatment is exact for arbitrarily strong discontinuity. The scheme is fully nonlinear for the full nonlinearity in the 3-T diffusion equations. Three temperatures are fully coupled and are updated simultaneously. The scheme is general in two and three dimensions on general polyhedral meshes. The features of the scheme are demonstrated through numerical examples for transient problems and steady states. The effects of some simplifications of numerical schemes are also shown through numerical examples, such as linearization, simple average of diffusion coefficient, and approximate treatment for the coupling between radiation and material.« less

Locating Microseism Sources Using Spurious Arrivals in Intercontinental Noise Correlations

NASA Astrophysics Data System (ADS)

Retailleau, Lise; Boué, Pierre; Stehly, Laurent; Campillo, Michel

2017-10-01

The accuracy of Green's functions retrieved from seismic noise correlations in the microseism frequency band is limited by the uneven distribution of microseism sources at the surface of the Earth. As a result, correlation functions are often biased as compared to the expected Green's functions, and they can include spurious arrivals. These spurious arrivals are seismic arrivals that are visible on the correlation and do not belong to the theoretical impulse response. In this article, we propose to use Rayleigh wave spurious arrivals detected on correlation functions computed between European and United States seismic stations to locate microseism sources in the Atlantic Ocean. We perform a slant stack on a time distance gather of correlations obtained from an array of stations that comprises a regional deployment and a distant station. The arrival times and the apparent slowness of the spurious arrivals lead to the location of their source, which is obtained through a grid search procedure. We discuss improvements in the location through this methodology as compared to classical back projection of microseism energy. This method is interesting because it only requires an array and a distant station on each side of an ocean, conditions that can be met relatively easily.

Conductor disc used to suppress spurious mode and enhance electric coupling in a dielectric loaded combline resonator

NASA Astrophysics Data System (ADS)

Pholele, T. M.; Chuma, J. M.

2016-03-01

The effects of conductor disc in a dielectric loaded combline resonator on its spurious performance, unloaded quality factor (Qu), and coupling coefficients are analysed using a commercial electromagnetic software package CST Microwave Studio (CST MWS). The disc improves the spurious free band but simultaneously deteriorates the Qu. The presence of the disc substantially improves the electric coupling by a factor of 1.891 for an aperture opening of 12 mm, while it has insignificant effect on the magnetic coupling.

Remedying excessive numerical diapycnal mixing in a global 0.25° NEMO configuration

NASA Astrophysics Data System (ADS)

Megann, Alex; Nurser, George; Storkey, Dave

2016-04-01

If numerical ocean models are to simulate faithfully the upwelling branches of the global overturning circulation, they need to have a good representation of the diapycnal mixing processes which contribute to conversion of the bottom and deep waters produced in high latitudes into less dense watermasses. It is known that the default class of depth-coordinate ocean models such as NEMO and MOM5, as used in many state-of-the art coupled climate models and Earth System Models, have excessive numerical diapycnal mixing, resulting from irreversible advection across coordinate surfaces. The GO5.0 configuration of the NEMO ocean model, on an "eddy-permitting" 0.25° global grid, is used in the current UK GC1 and GC2 coupled models. Megann and Nurser (2016) have shown, using the isopycnal watermass analysis of Lee et al (2002), that spurious numerical mixing is substantially larger than the explicit mixing prescribed by the mixing scheme used by the model. It will be shown that increasing the biharmonic viscosity by a factor of three tends to suppress small-scale noise in the vertical velocity in the model. This significantly reduces the numerical mixing in GO5.0, and we shall show that it also leads to large-scale improvements in model biases.

Numerical method for angle-of-incidence correction factors for diffuse radiation incident photovoltaic modules

DOE PAGES

Marion, Bill

2017-03-27

Here, a numerical method is provided for solving the integral equation for the angle-of-incidence (AOI) correction factor for diffuse radiation incident photovoltaic (PV) modules. The types of diffuse radiation considered include sky, circumsolar, horizon, and ground-reflected. The method permits PV module AOI characteristics to be addressed when calculating AOI losses associated with diffuse radiation. Pseudo code is provided to aid users in the implementation, and results are shown for PV modules with tilt angles from 0° to 90°. Diffuse AOI losses are greatest for small PV module tilt angles. Including AOI losses associated with the diffuse irradiance will improve predictionsmore » of PV system performance.« less

Numerical applications of the advective-diffusive codes for the inner magnetosphere

NASA Astrophysics Data System (ADS)

Aseev, N. A.; Shprits, Y. Y.; Drozdov, A. Y.; Kellerman, A. C.

2016-11-01

In this study we present analytical solutions for convection and diffusion equations. We gather here the analytical solutions for the one-dimensional convection equation, the two-dimensional convection problem, and the one- and two-dimensional diffusion equations. Using obtained analytical solutions, we test the four-dimensional Versatile Electron Radiation Belt code (the VERB-4D code), which solves the modified Fokker-Planck equation with additional convection terms. The ninth-order upwind numerical scheme for the one-dimensional convection equation shows much more accurate results than the results obtained with the third-order scheme. The universal limiter eliminates unphysical oscillations generated by high-order linear upwind schemes. Decrease in the space step leads to convergence of a numerical solution of the two-dimensional diffusion equation with mixed terms to the analytical solution. We compare the results of the third- and ninth-order schemes applied to magnetospheric convection modeling. The results show significant differences in electron fluxes near geostationary orbit when different numerical schemes are used.

Collisions of unequal mass black holes and the point particle limit

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

Sperhake, Ulrich; CENTRA, Departamento de Fisica, Instituto Superior Tecnico, Universidade Tecnica de Lisboa - UTL, Av. Rovisco Pais 1, 1049 Lisboa; California Institute of Technology, Pasadena, California 91125

Numerical relativity has seen incredible progress in the last years, and is being applied with success to a variety of physical phenomena, from gravitational wave research and relativistic astrophysics to cosmology and high-energy physics. Here we probe the limits of current numerical setups, by studying collisions of unequal mass, nonrotating black holes of mass ratios up to 1 ratio 100 and making contact with a classical calculation in general relativity: the infall of a pointlike particle into a massive black hole. Our results agree well with the predictions coming from linearized calculations of the infall of pointlike particles into nonrotatingmore » black holes. In particular, in the limit that one hole is much smaller than the other, and the infall starts from an infinite initial separation, we recover the point-particle limit. Thus, numerical relativity is able to bridge the gap between fully nonlinear dynamics and linearized approximations, which may have important applications. Finally, we also comment on the 'spurious' radiation content in the initial data and the linearized predictions.« less

An Entropy-Based Approach to Nonlinear Stability

NASA Technical Reports Server (NTRS)

Merriam, Marshal L.

1989-01-01

Many numerical methods used in computational fluid dynamics (CFD) incorporate an artificial dissipation term to suppress spurious oscillations and control nonlinear instabilities. The same effect can be accomplished by using upwind techniques, sometimes augmented with limiters to form Total Variation Diminishing (TVD) schemes. An analysis based on numerical satisfaction of the second law of thermodynamics allows many such methods to be compared and improved upon. A nonlinear stability proof is given for discrete scalar equations arising from a conservation law. Solutions to such equations are bounded in the L sub 2 norm if the second law of thermodynamics is satisfied in a global sense over a periodic domain. It is conjectured that an analogous statement is true for discrete equations arising from systems of conservation laws. Analysis and numerical experiments suggest that a more restrictive condition, a positive entropy production rate in each cell, is sufficient to exclude unphysical phenomena such as oscillations and expansion shocks. Construction of schemes which satisfy this condition is demonstrated for linear and nonlinear wave equations and for the one-dimensional Euler equations.

A New Runge-Kutta Discontinuous Galerkin Method with Conservation Constraint to Improve CFL Condition for Solving Conservation Laws

PubMed Central

Xu, Zhiliang; Chen, Xu-Yan; Liu, Yingjie

2014-01-01

We present a new formulation of the Runge-Kutta discontinuous Galerkin (RKDG) method [9, 8, 7, 6] for solving conservation Laws with increased CFL numbers. The new formulation requires the computed RKDG solution in a cell to satisfy additional conservation constraint in adjacent cells and does not increase the complexity or change the compactness of the RKDG method. Numerical computations for solving one-dimensional and two-dimensional scalar and systems of nonlinear hyperbolic conservation laws are performed with approximate solutions represented by piecewise quadratic and cubic polynomials, respectively. The hierarchical reconstruction [17, 33] is applied as a limiter to eliminate spurious oscillations in discontinuous solutions. From both numerical experiments and the analytic estimate of the CFL number of the newly formulated method, we find that: 1) this new formulation improves the CFL number over the original RKDG formulation by at least three times or more and thus reduces the overall computational cost; and 2) the new formulation essentially does not compromise the resolution of the numerical solutions of shock wave problems compared with ones computed by the RKDG method. PMID:25414520

Sound Emission of Rotor Induced Deformations of Generator Casings

NASA Technical Reports Server (NTRS)

Polifke, W.; Mueller, B.; Yee, H. C.; Mansour, Nagi (Technical Monitor)

2001-01-01

The casing of large electrical generators can be deformed slightly by the rotor's magnetic field. The sound emission produced by these periodic deformations, which could possibly exceed guaranteed noise emission limits, is analysed analytically and numerically. From the deformation of the casing, the normal velocity of the generator's surface is computed. Taking into account the corresponding symmetry, an analytical solution for the acoustic pressure outside the generator is round in terms of the Hankel function of second order. The normal velocity or the generator surface provides the required boundary condition for the acoustic pressure and determines the magnitude of pressure oscillations. For the numerical simulation, the nonlinear 2D Euler equations are formulated In a perturbation form for low Mach number Computational Aeroacoustics (CAA). The spatial derivatives are discretized by the classical sixth-order central interior scheme and a third-order boundary scheme. Spurious high frequency oscillations are damped by a characteristic-based artificial compression method (ACM) filter. The time derivatives are approximated by the classical 4th-order Runge-Kutta method. The numerical results are In excellent agreement with the analytical solution.

Radiation Diffusion:. AN Overview of Physical and Numerical Concepts

NASA Astrophysics Data System (ADS)

Graziani, Frank

2005-12-01

An overview of the physical and mathematical foundations of radiation transport is given. Emphasis is placed on how the diffusion approximation and its transport corrections arise. An overview of the numerical handling of radiation diffusion coupled to matter is also given. Discussions center on partial temperature and grey methods with comments concerning fully implicit methods. In addition finite difference, finite element and Pert representations of the div-grad operator is also discussed

Scaling characteristics of one-dimensional fractional diffusion processes in the presence of power-law distributed random noise

NASA Astrophysics Data System (ADS)

Nezhadhaghighi, Mohsen Ghasemi

2017-08-01

Here, we present results of numerical simulations and the scaling characteristics of one-dimensional random fluctuations with heavy-tailed probability distribution functions. Assuming that the distribution function of the random fluctuations obeys Lévy statistics with a power-law scaling exponent, we investigate the fractional diffusion equation in the presence of μ -stable Lévy noise. We study the scaling properties of the global width and two-point correlation functions and then compare the analytical and numerical results for the growth exponent β and the roughness exponent α . We also investigate the fractional Fokker-Planck equation for heavy-tailed random fluctuations. We show that the fractional diffusion processes in the presence of μ -stable Lévy noise display special scaling properties in the probability distribution function (PDF). Finally, we numerically study the scaling properties of the heavy-tailed random fluctuations by using the diffusion entropy analysis. This method is based on the evaluation of the Shannon entropy of the PDF generated by the random fluctuations, rather than on the measurement of the global width of the process. We apply the diffusion entropy analysis to extract the growth exponent β and to confirm the validity of our numerical analysis.

Scaling characteristics of one-dimensional fractional diffusion processes in the presence of power-law distributed random noise.

PubMed

Nezhadhaghighi, Mohsen Ghasemi

2017-08-01

Here, we present results of numerical simulations and the scaling characteristics of one-dimensional random fluctuations with heavy-tailed probability distribution functions. Assuming that the distribution function of the random fluctuations obeys Lévy statistics with a power-law scaling exponent, we investigate the fractional diffusion equation in the presence of μ-stable Lévy noise. We study the scaling properties of the global width and two-point correlation functions and then compare the analytical and numerical results for the growth exponent β and the roughness exponent α. We also investigate the fractional Fokker-Planck equation for heavy-tailed random fluctuations. We show that the fractional diffusion processes in the presence of μ-stable Lévy noise display special scaling properties in the probability distribution function (PDF). Finally, we numerically study the scaling properties of the heavy-tailed random fluctuations by using the diffusion entropy analysis. This method is based on the evaluation of the Shannon entropy of the PDF generated by the random fluctuations, rather than on the measurement of the global width of the process. We apply the diffusion entropy analysis to extract the growth exponent β and to confirm the validity of our numerical analysis.

On the chaotic diffusion in multidimensional Hamiltonian systems

NASA Astrophysics Data System (ADS)

Cincotta, P. M.; Giordano, C. M.; Martí, J. G.; Beaugé, C.

2018-01-01

We present numerical evidence that diffusion in the herein studied multidimensional near-integrable Hamiltonian systems departs from a normal process, at least for realistic timescales. Therefore, the derivation of a diffusion coefficient from a linear fit on the variance evolution of the unperturbed integrals fails. We review some topics on diffusion in the Arnold Hamiltonian and yield numerical and theoretical arguments to show that in the examples we considered, a standard coefficient would not provide a good estimation of the speed of diffusion. However, numerical experiments concerning diffusion would provide reliable information about the stability of the motion within chaotic regions of the phase space. In this direction, we present an extension of previous results concerning the dynamical structure of the Laplace resonance in Gliese-876 planetary system considering variations of the orbital parameters accordingly to the error introduced by the radial velocity determination. We found that a slight variation of the eccentricity of planet c would destabilize the inner region of the resonance that, though chaotic, shows stable when adopting the best fit values for the parameters.

Transport and fluctuation-dissipation relations in asymptotic and preasymptotic diffusion across channels with variable section.

PubMed

Forte, Giuseppe; Cecconi, Fabio; Vulpiani, Angelo

2014-12-01

We study the asymptotic and preasymptotic diffusive properties of Brownian particles in channels whose section varies periodically in space. The effective diffusion coefficient D(eff) is numerically determined by the asymptotic behavior of the root mean square displacement in different geometries, considering even cases of steep variations of the channel boundaries. Moreover, we compared the numerical results to the predictions from the various corrections proposed in the literature to the well known Fick-Jacobs approximation. Building an effective one-dimensional equation for the longitudinal diffusion, we obtain an approximation for the effective diffusion coefficient. Such a result goes beyond a perturbation approach, and it is in good agreement with the actual values obtained by the numerical simulations. We discuss also the preasymptotic diffusion which is observed up to a crossover time whose value, in the presence of strong spatial variation of the channel cross section, can be very large. In addition, we show how the Einstein's relation between the mean drift induced by a small external field and the mean square displacement of the unperturbed system is valid in both asymptotic and preasymptotic regimes.

Numerical study of influence of molecular diffusion in the Mild combustion regime

NASA Astrophysics Data System (ADS)

Mardani, Amir; Tabejamaat, Sadegh; Ghamari, Mohsen

2010-09-01

In this paper, the importance of molecular diffusion versus turbulent transport in the moderate or intense low-oxygen dilution (Mild) combustion mode has been numerically studied. The experimental conditions of Dally et al. [Proc. Combust. Inst. 29 (2002) 1147-1154] were used for modelling. The EDC model was used to describe the turbulence-chemistry interaction. The DRM-22 reduced mechanism and the GRI 2.11 full mechanism were used to represent the chemical reactions of an H2/methane jet flame. The importance of molecular diffusion for various O2 levels, jet Reynolds numbers and H2 fuel contents was investigated. Results show that the molecular diffusion in Mild combustion cannot be ignored in comparison with the turbulent transport. Also, the method of inclusion of molecular diffusion in combustion modelling has a considerable effect on the accuracy of numerical modelling of Mild combustion. By decreasing the jet Reynolds number, decreasing the oxygen concentration in the airflow or increasing H2 in the fuel mixture, the influence of molecular diffusion on Mild combustion increases.

Implicit Space-Time Conservation Element and Solution Element Schemes

NASA Technical Reports Server (NTRS)

Chang, Sin-Chung; Himansu, Ananda; Wang, Xiao-Yen

1999-01-01

Artificial numerical dissipation is in important issue in large Reynolds number computations. In such computations, the artificial dissipation inherent in traditional numerical schemes can overwhelm the physical dissipation and yield inaccurate results on meshes of practical size. In the present work, the space-time conservation element and solution element method is used to construct new and accurate implicit numerical schemes such that artificial numerical dissipation will not overwhelm physical dissipation. Specifically, these schemes have the property that numerical dissipation vanishes when the physical viscosity goes to zero. These new schemes therefore accurately model the physical dissipation even when it is extremely small. The new schemes presented are two highly accurate implicit solvers for a convection-diffusion equation. The two schemes become identical in the pure convection case, and in the pure diffusion case. The implicit schemes are applicable over the whole Reynolds number range, from purely diffusive equations to convection-dominated equations with very small viscosity. The stability and consistency of the schemes are analysed, and some numerical results are presented. It is shown that, in the inviscid case, the new schemes become explicit and their amplification factors are identical to those of the Leapfrog scheme. On the other hand, in the pure diffusion case, their principal amplification factor becomes the amplification factor of the Crank-Nicolson scheme.

Benefits of a 4th Ice Class in the Simulated Radar Reflectivities of Convective Systems Using a Bulk Microphysics Scheme

NASA Technical Reports Server (NTRS)

Lang, Stephen E.; Tao, Wei-Kuo; Chern, Jiun-Dar; Wu, Di; Li, Xiaowen

2015-01-01

Numerous cloud microphysical schemes designed for cloud and mesoscale models are currently in use, ranging from simple bulk to multi-moment, multi-class to explicit bin schemes. This study details the benefits of adding a 4th ice class (hail) to an already improved 3-class ice bulk microphysics scheme developed for the Goddard Cumulus Ensemble model based on Rutledge and Hobbs (1983,1984). Besides the addition and modification of several hail processes from Lin et al. (1983), further modifications were made to the 3-ice processes, including allowing greater ice super saturation and mitigating spurious evaporationsublimation in the saturation adjustment scheme, allowing graupelhail to become snow via vapor growth and hail to become graupel via riming, and the inclusion of a rain evaporation correction and vapor diffusivity factor. The improved 3-ice snowgraupel size-mapping schemes were adjusted to be more stable at higher mixing rations and to increase the aggregation effect for snow. A snow density mapping was also added. The new scheme was applied to an intense continental squall line and a weaker, loosely-organized continental case using three different hail intercepts. Peak simulated reflectivities agree well with radar for both the intense and weaker case and were better than earlier 3-ice versions when using a moderate and large intercept for hail, respectively. Simulated reflectivity distributions versus height were also improved versus radar in both cases compared to earlier 3-ice versions. The bin-based rain evaporation correction affected the squall line case more but did not change the overall agreement in reflectivity distributions.

A multiscale MD-FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure.

PubMed

Kojic, M; Milosevic, M; Kojic, N; Kim, K; Ferrari, M; Ziemys, A

2014-02-01

Mass transport by diffusion within composite materials may depend not only on internal microstructural geometry, but also on the chemical interactions between the transported substance and the material of the microstructure. Retrospectively, there is a gap in methods and theory to connect material microstructure properties with macroscale continuum diffusion characteristics. Here we present a new hierarchical multiscale model for diffusion within composite materials that couples material microstructural geometry and interactions between diffusing particles and the material matrix. This model, which bridges molecular dynamics (MD) and the finite element (FE) method, is employed to construct a continuum diffusion model based on a novel numerical homogenization procedure. The procedure is general and robust for evaluating constitutive material parameters of the continuum model. These parameters include the traditional bulk diffusion coefficients and, additionally, the distances from the solid surface accounting for surface interaction effects. We implemented our models to glucose diffusion through the following two geometrical/material configurations: tightly packed silica nanospheres, and a complex fibrous structure surrounding nanospheres. Then, rhodamine 6G diffusion analysis through an aga-rose gel network was performed, followed by a model validation using our experimental results. The microstructural model, numerical homogenization and continuum model offer a new platform for modeling and predicting mass diffusion through complex biological environment and within composite materials that are used in a wide range of applications, like drug delivery and nanoporous catalysts.

A multiscale MD–FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure

PubMed Central

Kojic, M.; Milosevic, M.; Kojic, N.; Kim, K.; Ferrari, M.; Ziemys, A.

2014-01-01

Mass transport by diffusion within composite materials may depend not only on internal microstructural geometry, but also on the chemical interactions between the transported substance and the material of the microstructure. Retrospectively, there is a gap in methods and theory to connect material microstructure properties with macroscale continuum diffusion characteristics. Here we present a new hierarchical multiscale model for diffusion within composite materials that couples material microstructural geometry and interactions between diffusing particles and the material matrix. This model, which bridges molecular dynamics (MD) and the finite element (FE) method, is employed to construct a continuum diffusion model based on a novel numerical homogenization procedure. The procedure is general and robust for evaluating constitutive material parameters of the continuum model. These parameters include the traditional bulk diffusion coefficients and, additionally, the distances from the solid surface accounting for surface interaction effects. We implemented our models to glucose diffusion through the following two geometrical/material configurations: tightly packed silica nanospheres, and a complex fibrous structure surrounding nanospheres. Then, rhodamine 6G diffusion analysis through an aga-rose gel network was performed, followed by a model validation using our experimental results. The microstructural model, numerical homogenization and continuum model offer a new platform for modeling and predicting mass diffusion through complex biological environment and within composite materials that are used in a wide range of applications, like drug delivery and nanoporous catalysts. PMID:24578582

Method to suppress DDFS spurious signals in a frequency-hopping synthesizer with DDFS-driven PLL architecture.

PubMed

Kwon, Kun-Sup; Yoon, Won-Sang

2010-01-01

In this paper we propose a method of removing from synthesizer output spurious signals due to quasi-amplitude modulation and superposition effect in a frequency-hopping synthesizer with direct digital frequency synthesizer (DDFS)-driven phase-locked loop (PLL) architecture, which has the advantages of high frequency resolution, fast transition time, and small size. There are spurious signals that depend on normalized frequency of DDFS. They can be dominant if they occur within the PLL loop bandwidth. We suggest that such signals can be eliminated by purposefully creating frequency errors in the developed synthesizer.

Second ROSAT all-sky survey (2RXS) source catalogue

NASA Astrophysics Data System (ADS)

Boller, Th.; Freyberg, M. J.; Trümper, J.; Haberl, F.; Voges, W.; Nandra, K.

2016-04-01

Aims: We present the second ROSAT all-sky survey source catalogue, hereafter referred to as the 2RXS catalogue. This is the second publicly released ROSAT catalogue of point-like sources obtained from the ROSAT all-sky survey (RASS) observations performed with the position-sensitive proportional counter (PSPC) between June 1990 and August 1991, and is an extended and revised version of the bright and faint source catalogues. Methods: We used the latest version of the RASS processing to produce overlapping X-ray images of 6.4° × 6.4° sky regions. To create a source catalogue, a likelihood-based detection algorithm was applied to these, which accounts for the variable point-spread function (PSF) across the PSPC field of view. Improvements in the background determination compared to 1RXS were also implemented. X-ray control images showing the source and background extraction regions were generated, which were visually inspected. Simulations were performed to assess the spurious source content of the 2RXS catalogue. X-ray spectra and light curves were extracted for the 2RXS sources, with spectral and variability parameters derived from these products. Results: We obtained about 135 000 X-ray detections in the 0.1-2.4 keV energy band down to a likelihood threshold of 6.5, as adopted in the 1RXS faint source catalogue. Our simulations show that the expected spurious content of the catalogue is a strong function of detection likelihood, and the full catalogue is expected to contain about 30% spurious detections. A more conservative likelihood threshold of 9, on the other hand, yields about 71 000 detections with a 5% spurious fraction. We recommend thresholds appropriate to the scientific application. X-ray images and overlaid X-ray contour lines provide an additional user product to evaluate the detections visually, and we performed our own visual inspections to flag uncertain detections. Intra-day variability in the X-ray light curves was quantified based on the normalised excess variance and a maximum amplitude variability analysis. X-ray spectral fits were performed using three basic models, a power law, a thermal plasma emission model, and black-body emission. Thirty-two large extended regions with diffuse emission and embedded point sources were identified and excluded from the present analysis. Conclusions: The 2RXS catalogue provides the deepest and cleanest X-ray all-sky survey catalogue in advance of eROSITA. The catalogue is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/588/A103

Diagnostic power of diffuse reflectance spectroscopy for targeted detection of breast lesions with microcalcifications

PubMed Central

Soares, Jaqueline S.; Barman, Ishan; Dingari, Narahara Chari; Volynskaya, Zoya; Liu, Wendy; Klein, Nina; Plecha, Donna; Dasari, Ramachandra R.; Fitzmaurice, Maryann

2013-01-01

Microcalcifications geographically target the location of abnormalities within the breast and are of critical importance in breast cancer diagnosis. However, despite stereotactic guidance, core needle biopsy fails to retrieve microcalcifications in up to 15% of patients. Here, we introduce an approach based on diffuse reflectance spectroscopy for detection of microcalcifications that focuses on variations in optical absorption stemming from the calcified clusters and the associated cross-linking molecules. In this study, diffuse reflectance spectra are acquired ex vivo from 203 sites in fresh biopsy tissue cores from 23 patients undergoing stereotactic breast needle biopsies. By correlating the spectra with the corresponding radiographic and histologic assessment, we have developed a support vector machine-derived decision algorithm, which shows high diagnostic power (positive predictive value and negative predictive value of 97% and 88%, respectively) for diagnosis of lesions with microcalcifications. We further show that these results are robust and not due to any spurious correlations. We attribute our findings to the presence of proteins (such as elastin), and desmosine and isodesmosine cross-linkers in the microcalcifications. It is important to note that the performance of the diffuse reflectance decision algorithm is comparable to one derived from the corresponding Raman spectra, and the considerably higher intensity of the reflectance signal enables the detection of the targeted lesions in a fraction of the spectral acquisition time. Our findings create a unique landscape for spectroscopic validation of breast core needle biopsy for detection of microcalcifications that can substantially improve the likelihood of an adequate, diagnostic biopsy in the first attempt. PMID:23267090

Asymptotic analysis of dissipative waves with applications to their numerical simulation

NASA Technical Reports Server (NTRS)

Hagstrom, Thomas

1990-01-01

Various problems involving the interplay of asymptotics and numerics in the analysis of wave propagation in dissipative systems are studied. A general approach to the asymptotic analysis of linear, dissipative waves is developed. It was applied to the derivation of asymptotic boundary conditions for numerical solutions on unbounded domains. Applications include the Navier-Stokes equations. Multidimensional traveling wave solutions to reaction-diffusion equations are also considered. A preliminary numerical investigation of a thermo-diffusive model of flame propagation in a channel with heat loss at the walls is presented.

Some remarks on the numerical solution of parabolic partial differential equations

NASA Astrophysics Data System (ADS)

Campagna, R.; Cuomo, S.; Leveque, S.; Toraldo, G.; Giannino, F.; Severino, G.

2017-11-01

Numerous environmental/engineering applications relying upon the theory of diffusion phenomena into chaotic environments have recently stimulated the interest toward the numerical solution of parabolic partial differential equations (PDEs). In the present paper, we outline a formulation of the mathematical problem underlying a quite general diffusion mechanism in the natural environments, and we shortly emphasize some remarks concerning the applicability of the (straightforward) finite difference method. An illustration example is also presented.

The development of an advanced vertical discretisation scheme for a regional ocean model

NASA Astrophysics Data System (ADS)

Bruciaferri, Diego; Shapiro, Georgy; Wobus, Fred

2017-04-01

When designing an ocean model, the choice of the vertical coordinate system must be pursued very carefully (Griffies et al., 2000); especially in those regional areas where local multi-scale processes interact with large-scale oceanographic features. Three main vertical coordinates are usually used in ocean modelling, namely the geopotential, terrain-following and isopycnic, but each one presents its own limitations and strengths. In the last decades, much research has been spent to investigate and develop hybrid approaches able to combine the advantages of each vertical coordinate system but minimising their disadvantages. Here we propose the hybrid s-s-z vertical discretisation scheme, an advanced version of the approach used by Shapiro et al. (2013). In our new scheme, the vertical domain is divided into three zones: in the upper and middle zones use s-coordinates while the deeper zone uses z-levels. The s-s-z vertical grid is introduced into the NEMO (Nucleus for European Modelling of the Ocean) model code and we compare the model skill of our new vertical discretisation scheme with the NEMO vertical grid using z-levels with partial steps through a set of idealized numerical experiments for which analytical solutions or theoretical models exist. Modelling results demonstrate that the magnitude of spurious currents arising from the horizontal pressure gradient errors are of the same order (10 ^ -3 m/s ) both with z-partial steps or with s-s-z vertical grids for the conditions favourable for the geopotential grids ( horizontal initial density levels). For a number of more realistic conditions representing a general cyclonic circulation in the sea, the new discretisation scheme produces smaller spurious currents and hence is more accurate than the z-level approach. Moreover, the enhanced capability of the s-s-z scheme to reproduce dense water cascades as compared to the z-partial steps grid is shown. Finally, we show how the new s-s-z grid can be useful to improve lateral sub-grid-physics parametrisation in ocean model with s-levels. References: Griffies, S. M., Boning, C., Bryan, F. O., Chassignet, E. P., Gerdes, R., Hasumi, H., Hirst, A., Treguier, A.-M., and Webb, D., 2000. Developments in Ocean Climate Modelling, Ocean Modelling, 2, 123-192. Shapiro, G., Luneva, M., Pickering, J., and Storkey, D.: The effect of various vertical discretisation schemes and horizontal diffusion parameterisation on the performance of a 3-D ocean model: the Black Sea case study, Ocean Sci., 9, 377-390, doi:10.5194/os-9-377-2013, 2013.

Numerical Evaluation of Lateral Diffusion Inside Diffusive Gradients in Thin Films Samplers

PubMed Central

2015-01-01

Using numerical simulation of diffusion inside diffusive gradients in thin films (DGT) samplers, we show that the effect of lateral diffusion inside the sampler on the solute flux into the sampler is a nonlinear function of the diffusion layer thickness and the physical sampling window size. In contrast, earlier work concluded that this effect was constant irrespective of parameters of the sampler geometry. The flux increase caused by lateral diffusion inside the sampler was determined to be ∼8.8% for standard samplers, which is considerably lower than the previous estimate of ∼20%. Lateral diffusion is also propagated to the diffusive boundary layer (DBL), where it leads to a slightly stronger decrease in the mass uptake than suggested by the common 1D diffusion model that is applied for evaluating DGT results. We introduce a simple correction procedure for lateral diffusion and demonstrate how the effect of lateral diffusion on diffusion in the DBL can be accounted for. These corrections often result in better estimates of the DBL thickness (δ) and the DGT-measured concentration than earlier approaches and will contribute to more accurate concentration measurements in solute monitoring in waters. PMID:25877251

Estimation of water diffusion coefficient into polycarbonate at different temperatures using numerical simulation

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

Nasirabadi, P. Shojaee; Jabbari, M.; Hattel, J. H.

2016-06-08

Nowadays, many electronic systems are exposed to harsh conditions of relative humidity and temperature. Mass transport properties of electronic packaging materials are needed in order to investigate the influence of moisture and temperature on reliability of electronic devices. Polycarbonate (PC) is widely used in the electronics industry. Thus, in this work the water diffusion coefficient into PC is investigated. Furthermore, numerical methods used for estimation of the diffusion coefficient and their assumptions are discussed. 1D and 3D numerical solutions are compared and based on this, it is shown how the estimated value can be different depending on the choice ofmore » dimensionality in the model.« less

Lagrangian numerical methods for ocean biogeochemical simulations

NASA Astrophysics Data System (ADS)

Paparella, Francesco; Popolizio, Marina

2018-05-01

We propose two closely-related Lagrangian numerical methods for the simulation of physical processes involving advection, reaction and diffusion. The methods are intended to be used in settings where the flow is nearly incompressible and the Péclet numbers are so high that resolving all the scales of motion is unfeasible. This is commonplace in ocean flows. Our methods consist in augmenting the method of characteristics, which is suitable for advection-reaction problems, with couplings among nearby particles, producing fluxes that mimic diffusion, or unresolved small-scale transport. The methods conserve mass, obey the maximum principle, and allow to tune the strength of the diffusive terms down to zero, while avoiding unwanted numerical dissipation effects.

47 CFR 2.1051 - Measurements required: Spurious emissions at antenna terminals.

Code of Federal Regulations, 2014 CFR

2014-10-01

... antenna terminals. 2.1051 Section 2.1051 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL... Procedures Certification § 2.1051 Measurements required: Spurious emissions at antenna terminals. The radio... checked at the equipment output terminals when properly loaded with a suitable artificial antenna. Curves...

47 CFR 2.1051 - Measurements required: Spurious emissions at antenna terminals.

Code of Federal Regulations, 2010 CFR

2010-10-01

... antenna terminals. 2.1051 Section 2.1051 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL... Procedures Certification § 2.1051 Measurements required: Spurious emissions at antenna terminals. The radio... checked at the equipment output terminals when properly loaded with a suitable artificial antenna. Curves...

47 CFR 2.1051 - Measurements required: Spurious emissions at antenna terminals.

Code of Federal Regulations, 2013 CFR

2013-10-01

... antenna terminals. 2.1051 Section 2.1051 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL... Procedures Certification § 2.1051 Measurements required: Spurious emissions at antenna terminals. The radio... checked at the equipment output terminals when properly loaded with a suitable artificial antenna. Curves...

47 CFR 2.1051 - Measurements required: Spurious emissions at antenna terminals.

Code of Federal Regulations, 2011 CFR

2011-10-01

... antenna terminals. 2.1051 Section 2.1051 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL... Procedures Certification § 2.1051 Measurements required: Spurious emissions at antenna terminals. The radio... checked at the equipment output terminals when properly loaded with a suitable artificial antenna. Curves...

47 CFR 2.1051 - Measurements required: Spurious emissions at antenna terminals.

Code of Federal Regulations, 2012 CFR

2012-10-01

... antenna terminals. 2.1051 Section 2.1051 Telecommunication FEDERAL COMMUNICATIONS COMMISSION GENERAL... Procedures Certification § 2.1051 Measurements required: Spurious emissions at antenna terminals. The radio... checked at the equipment output terminals when properly loaded with a suitable artificial antenna. Curves...

Numerical Simulation of the Perrin-Like Experiments

ERIC Educational Resources Information Center

Mazur, Zygmunt; Grech, Dariusz

2008-01-01

A simple model of the random Brownian walk of a spherical mesoscopic particle in viscous liquids is proposed. The model can be solved analytically and simulated numerically. The analytic solution gives the known Einstein-Smoluchowski diffusion law r[superscript 2] = 2Dt, where the diffusion constant D is expressed by the mass and geometry of a…

Identification of Spurious Signals from Permeable Ffowcs Williams and Hawkings Surfaces

NASA Technical Reports Server (NTRS)

Lopes, Leonard V.; Boyd, David D., Jr.; Nark, Douglas M.; Wiedemann, Karl E.

2017-01-01

Integral forms of the permeable surface formulation of the Ffowcs Williams and Hawkings (FW-H) equation often require an input in the form of a near field Computational Fluid Dynamics (CFD) solution to predict noise in the near or far field from various types of geometries. The FW-H equation involves three source terms; two surface terms (monopole and dipole) and a volume term (quadrupole). Many solutions to the FW-H equation, such as several of Farassat's formulations, neglect the quadrupole term. Neglecting the quadrupole term in permeable surface formulations leads to inaccuracies called spurious signals. This paper explores the concept of spurious signals, explains how they are generated by specifying the acoustic and hydrodynamic surface properties individually, and provides methods to determine their presence, regardless of whether a correction algorithm is employed. A potential approach based on the equivalent sources method (ESM) and the sensitivity of Formulation 1A (Formulation S1A) is also discussed for the removal of spurious signals.

Chaotic advection at large Péclet number: Electromagnetically driven experiments, numerical simulations, and theoretical predictions

NASA Astrophysics Data System (ADS)

Figueroa, Aldo; Meunier, Patrice; Cuevas, Sergio; Villermaux, Emmanuel; Ramos, Eduardo

2014-01-01

We present a combination of experiment, theory, and modelling on laminar mixing at large Péclet number. The flow is produced by oscillating electromagnetic forces in a thin electrolytic fluid layer, leading to oscillating dipoles, quadrupoles, octopoles, and disordered flows. The numerical simulations are based on the Diffusive Strip Method (DSM) which was recently introduced (P. Meunier and E. Villermaux, "The diffusive strip method for scalar mixing in two-dimensions," J. Fluid Mech. 662, 134-172 (2010)) to solve the advection-diffusion problem by combining Lagrangian techniques and theoretical modelling of the diffusion. Numerical simulations obtained with the DSM are in reasonable agreement with quantitative dye visualization experiments of the scalar fields. A theoretical model based on log-normal Probability Density Functions (PDFs) of stretching factors, characteristic of homogeneous turbulence in the Batchelor regime, allows to predict the PDFs of scalar in agreement with numerical and experimental results. This model also indicates that the PDFs of scalar are asymptotically close to log-normal at late stages, except for the large concentration levels which correspond to low stretching factors.

Polyhedral meshing in numerical analysis of conjugate heat transfer

NASA Astrophysics Data System (ADS)

Sosnowski, Marcin; Krzywanski, Jaroslaw; Grabowska, Karolina; Gnatowska, Renata

2018-06-01

Computational methods have been widely applied in conjugate heat transfer analysis. The very first and crucial step in such research is the meshing process which consists in dividing the analysed geometry into numerous small control volumes (cells). In Computational Fluid Dynamics (CFD) applications it is desirable to use the hexahedral cells as the resulting mesh is characterized by low numerical diffusion. Unfortunately generating such mesh can be a very time-consuming task and in case of complicated geometry - it may not be possible to generate cells of good quality. Therefore tetrahedral cells have been implemented into commercial pre-processors. Their advantage is the ease of its generation even in case of very complex geometry. On the other hand tetrahedrons cannot be stretched excessively without decreasing the mesh quality factor, so significantly larger number of cells has to be used in comparison to hexahedral mesh in order to achieve a reasonable accuracy. Moreover the numerical diffusion of tetrahedral elements is significantly higher. Therefore the polyhedral cells are proposed within the paper in order to combine the advantages of hexahedrons (low numerical diffusion resulting in accurate solution) and tetrahedrons (rapid semi-automatic generation) as well as to overcome the disadvantages of both the above mentioned mesh types. The major benefit of polyhedral mesh is that each individual cell has many neighbours, so gradients can be well approximated. Polyhedrons are also less sensitive to stretching than tetrahedrons which results in better mesh quality leading to improved numerical stability of the model. In addition, numerical diffusion is reduced due to mass exchange over numerous faces. This leads to a more accurate solution achieved with a lower cell count. Therefore detailed comparison of numerical modelling results concerning conjugate heat transfer using tetrahedral and polyhedral meshes is presented in the paper.

Numerical Methods for Analysis of Charged Vacancy Diffusion in Dielectric Solids

DTIC Science & Technology

2006-12-01

theory for charged vacancy diffusion in elastic dielectric materials is formulated and implemented numerically in a finite difference code. The...one of the co-authors on neutral vacancy kinetics (Grinfeld and Hazzledine, 1997). The theory is implemented numerically in a finite difference code...accuracy of order ( )2x∆ , using a finite difference approximation (Hoffman, 1992) for the second spatial derivative of φ : ( )21 1 0ˆ2 /i i i i Rxφ

Complete Numerical Solution of the Diffusion Equation of Random Genetic Drift

PubMed Central

Zhao, Lei; Yue, Xingye; Waxman, David

2013-01-01

A numerical method is presented to solve the diffusion equation for the random genetic drift that occurs at a single unlinked locus with two alleles. The method was designed to conserve probability, and the resulting numerical solution represents a probability distribution whose total probability is unity. We describe solutions of the diffusion equation whose total probability is unity as complete. Thus the numerical method introduced in this work produces complete solutions, and such solutions have the property that whenever fixation and loss can occur, they are automatically included within the solution. This feature demonstrates that the diffusion approximation can describe not only internal allele frequencies, but also the boundary frequencies zero and one. The numerical approach presented here constitutes a single inclusive framework from which to perform calculations for random genetic drift. It has a straightforward implementation, allowing it to be applied to a wide variety of problems, including those with time-dependent parameters, such as changing population sizes. As tests and illustrations of the numerical method, it is used to determine: (i) the probability density and time-dependent probability of fixation for a neutral locus in a population of constant size; (ii) the probability of fixation in the presence of selection; and (iii) the probability of fixation in the presence of selection and demographic change, the latter in the form of a changing population size. PMID:23749318

Short-time self-diffusion coefficient of a particle in a colloidal suspension bounded by a microchannel: Virial expansions and simulation

NASA Astrophysics Data System (ADS)

Kȩdzierski, Marcin; Wajnryb, Eligiusz

2011-10-01

Self-diffusion of colloidal particles confined to a cylindrical microchannel is considered theoretically and numerically. Virial expansion of the self-diffusion coefficient is performed. Two-body and three-body hydrodynamic interactions are evaluated with high precision using the multipole method. The multipole expansion algorithm is also used to perform numerical simulations of the self-diffusion coefficient, valid for all possible particle packing fractions. Comparison with earlier results shows that the widely used method of reflections is insufficient for calculations of hydrodynamic interactions even for small packing fractions and small particles radii, contrary to the prevalent opinion.

Two tandem queues with general renewal input. 2: Asymptotic expansions for the diffusion model

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

Knessl, C.; Tier, C.

1999-10-01

In Part 1 the authors formulated and solved a diffusion model for two tandem queues with exponential servers and general renewal arrivals. They thus obtained the easy traffic diffusion approximation to the steady state joint queue length distribution for this network. Here they study asymptotic and numerical properties of the diffusion approximation. In particular, analytical expressions are obtained for the tail probabilities. Both the joint distribution of the two queues and the marginal distribution of the second queue are considered. They also give numerical illustrations of how this marginal is affected by changes in the arrival and service processes.

``Phantom'' Modes in Ab Initio Tunneling Calculations: Implications for Theoretical Materials Optimization, Tunneling, and Transport

NASA Astrophysics Data System (ADS)

Barabash, Sergey V.; Pramanik, Dipankar

2015-03-01

Development of low-leakage dielectrics for semiconductor industry, together with many other areas of academic and industrial research, increasingly rely upon ab initio tunneling and transport calculations. Complex band structure (CBS) is a powerful formalism to establish the nature of tunneling modes, providing both a deeper understanding and a guided optimization of materials, with practical applications ranging from screening candidate dielectrics for lowest ``ultimate leakage'' to identifying charge-neutrality levels and Fermi level pinning. We demonstrate that CBS is prone to a particular type of spurious ``phantom'' solution, previously deemed true but irrelevant because of a very fast decay. We demonstrate that (i) in complex materials, phantom modes may exhibit very slow decay (appearing as leading tunneling terms implying qualitative and huge quantitative errors), (ii) the phantom modes are spurious, (iii) unlike the pseudopotential ``ghost'' states, phantoms are an apparently unavoidable artifact of large numerical basis sets, (iv) a presumed increase in computational accuracy increases the number of phantoms, effectively corrupting the CBS results despite the higher accuracy achieved in resolving the true CBS modes and the real band structure, and (v) the phantom modes cannot be easily separated from the true CBS modes. We discuss implications for direct transport calculations. The strategy for dealing with the phantom states is discussed in the context of optimizing high-quality high- κ dielectric materials for decreased tunneling leakage.

Why Ineffective Psychotherapies Appear to Work: A Taxonomy of Causes of Spurious Therapeutic Effectiveness.

PubMed

Lilienfeld, Scott O; Ritschel, Lorie A; Lynn, Steven Jay; Cautin, Robin L; Latzman, Robert D

2014-07-01

The past 40 years have generated numerous insights regarding errors in human reasoning. Arguably, clinical practice is the domain of applied psychology in which acknowledging and mitigating these errors is most crucial. We address one such set of errors here, namely, the tendency of some psychologists and other mental health professionals to assume that they can rely on informal clinical observations to infer whether treatments are effective. We delineate four broad, underlying cognitive impediments to accurately evaluating improvement in psychotherapy-naive realism, confirmation bias, illusory causation, and the illusion of control. We then describe 26 causes of spurious therapeutic effectiveness (CSTEs), organized into a taxonomy of three overarching categories: (a) the perception of client change in its actual absence, (b) misinterpretations of actual client change stemming from extratherapeutic factors, and (c) misinterpretations of actual client change stemming from nonspecific treatment factors. These inferential errors can lead clinicians, clients, and researchers to misperceive useless or even harmful psychotherapies as effective. We (a) examine how methodological safeguards help to control for different CSTEs, (b) delineate fruitful directions for research on CSTEs, and (c) consider the implications of CSTEs for everyday clinical practice. An enhanced appreciation of the inferential problems posed by CSTEs may narrow the science-practice gap and foster a heightened appreciation of the need for the methodological safeguards afforded by evidence-based practice. © The Author(s) 2014.

GPS measurement error gives rise to spurious 180 degree turning angles and strong directional biases in animal movement data.

PubMed

Hurford, Amy

2009-05-20

Movement data are frequently collected using Global Positioning System (GPS) receivers, but recorded GPS locations are subject to errors. While past studies have suggested methods to improve location accuracy, mechanistic movement models utilize distributions of turning angles and directional biases and these data present a new challenge in recognizing and reducing the effect of measurement error. I collected locations from a stationary GPS collar, analyzed a probabilistic model and used Monte Carlo simulations to understand how measurement error affects measured turning angles and directional biases. Results from each of the three methods were in complete agreement: measurement error gives rise to a systematic bias where a stationary animal is most likely to be measured as turning 180 degrees or moving towards a fixed point in space. These spurious effects occur in GPS data when the measured distance between locations is <20 meters. Measurement error must be considered as a possible cause of 180 degree turning angles in GPS data. Consequences of failing to account for measurement error are predicting overly tortuous movement, numerous returns to previously visited locations, inaccurately predicting species range, core areas, and the frequency of crossing linear features. By understanding the effect of GPS measurement error, ecologists are able to disregard false signals to more accurately design conservation plans for endangered wildlife.

Scanning Kirkpatrick-Baez X-ray telescope to maximize effective area and eliminate spurious images - Design

NASA Technical Reports Server (NTRS)

Kast, J. W.

1975-01-01

We consider the design of a Kirkpatrick-Baez grazing-incidence X-ray telescope to be used in a scan of the sky and analyze the distribution of both properly reflected rays and spurious images over the field of view. To obtain maximum effective area over the field of view, it is necessary to increase the spacing between plates for a scanning telescope as compared to a pointing telescope. Spurious images are necessarily present in this type of lens, but they can be eliminated from the field of view by adding properly located baffles or collimators. Results of a computer design are presented.

Alternative formulations of the Laplace transform boundary element (LTBE) numerical method for the solution of diffusion-type equations

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

Moridis, G.

1992-03-01

The Laplace Transform Boundary Element (LTBE) method is a recently introduced numerical method, and has been used for the solution of diffusion-type PDEs. It completely eliminates the time dependency of the problem and the need for time discretization, yielding solutions numerical in space and semi-analytical in time. In LTBE solutions are obtained in the Laplace spare, and are then inverted numerically to yield the solution in time. The Stehfest and the DeHoog formulations of LTBE, based on two different inversion algorithms, are investigated. Both formulations produce comparable, extremely accurate solutions.

A New Numerical Scheme for Cosmic-Ray Transport

NASA Astrophysics Data System (ADS)

Jiang, Yan-Fei; Oh, S. Peng

2018-02-01

Numerical solutions of the cosmic-ray (CR) magnetohydrodynamic equations are dogged by a powerful numerical instability, which arises from the constraint that CRs can only stream down their gradient. The standard cure is to regularize by adding artificial diffusion. Besides introducing ad hoc smoothing, this has a significant negative impact on either computational cost or complexity and parallel scalings. We describe a new numerical algorithm for CR transport, with close parallels to two-moment methods for radiative transfer under the reduced speed of light approximation. It stably and robustly handles CR streaming without any artificial diffusion. It allows for both isotropic and field-aligned CR streaming and diffusion, with arbitrary streaming and diffusion coefficients. CR transport is handled explicitly, while source terms are handled implicitly. The overall time step scales linearly with resolution (even when computing CR diffusion) and has a perfect parallel scaling. It is given by the standard Courant condition with respect to a constant maximum velocity over the entire simulation domain. The computational cost is comparable to that of solving the ideal MHD equation. We demonstrate the accuracy and stability of this new scheme with a wide variety of tests, including anisotropic streaming and diffusion tests, CR-modified shocks, CR-driven blast waves, and CR transport in multiphase media. The new algorithm opens doors to much more ambitious and hitherto intractable calculations of CR physics in galaxies and galaxy clusters. It can also be applied to other physical processes with similar mathematical structure, such as saturated, anisotropic heat conduction.

Designing Adaptive Low-Dissipative High Order Schemes for Long-Time Integrations. Chapter 1

NASA Technical Reports Server (NTRS)

Yee, Helen C.; Sjoegreen, B.; Mansour, Nagi N. (Technical Monitor)

2001-01-01

A general framework for the design of adaptive low-dissipative high order schemes is presented. It encompasses a rather complete treatment of the numerical approach based on four integrated design criteria: (1) For stability considerations, condition the governing equations before the application of the appropriate numerical scheme whenever it is possible; (2) For consistency, compatible schemes that possess stability properties, including physical and numerical boundary condition treatments, similar to those of the discrete analogue of the continuum are preferred; (3) For the minimization of numerical dissipation contamination, efficient and adaptive numerical dissipation control to further improve nonlinear stability and accuracy should be used; and (4) For practical considerations, the numerical approach should be efficient and applicable to general geometries, and an efficient and reliable dynamic grid adaptation should be used if necessary. These design criteria are, in general, very useful to a wide spectrum of flow simulations. However, the demand on the overall numerical approach for nonlinear stability and accuracy is much more stringent for long-time integration of complex multiscale viscous shock/shear/turbulence/acoustics interactions and numerical combustion. Robust classical numerical methods for less complex flow physics are not suitable or practical for such applications. The present approach is designed expressly to address such flow problems, especially unsteady flows. The minimization of employing very fine grids to overcome the production of spurious numerical solutions and/or instability due to under-resolved grids is also sought. The incremental studies to illustrate the performance of the approach are summarized. Extensive testing and full implementation of the approach is forthcoming. The results shown so far are very encouraging.

Cosmic-ray propagation with DRAGON2: I. numerical solver and astrophysical ingredients

NASA Astrophysics Data System (ADS)

Evoli, Carmelo; Gaggero, Daniele; Vittino, Andrea; Di Bernardo, Giuseppe; Di Mauro, Mattia; Ligorini, Arianna; Ullio, Piero; Grasso, Dario

2017-02-01

We present version 2 of the DRAGON code designed for computing realistic predictions of the CR densities in the Galaxy. The code numerically solves the interstellar CR transport equation (including inhomogeneous and anisotropic diffusion, either in space and momentum, advective transport and energy losses), under realistic conditions. The new version includes an updated numerical solver and several models for the astrophysical ingredients involved in the transport equation. Improvements in the accuracy of the numerical solution are proved against analytical solutions and in reference diffusion scenarios. The novel features implemented in the code allow to simulate the diverse scenarios proposed to reproduce the most recent measurements of local and diffuse CR fluxes, going beyond the limitations of the homogeneous galactic transport paradigm. To this end, several applications using DRAGON2 are presented as well. This new version facilitates the users to include their own physical models by means of a modular C++ structure.

Genetic Structure of the Han Chinese Population Revealed by Genome-wide SNP Variation

PubMed Central

Chen, Jieming; Zheng, Houfeng; Bei, Jin-Xin; Sun, Liangdan; Jia, Wei-hua; Li, Tao; Zhang, Furen; Seielstad, Mark; Zeng, Yi-Xin; Zhang, Xuejun; Liu, Jianjun

2009-01-01

Population stratification is a potential problem for genome-wide association studies (GWAS), confounding results and causing spurious associations. Hence, understanding how allele frequencies vary across geographic regions or among subpopulations is an important prelude to analyzing GWAS data. Using over 350,000 genome-wide autosomal SNPs in over 6000 Han Chinese samples from ten provinces of China, our study revealed a one-dimensional “north-south” population structure and a close correlation between geography and the genetic structure of the Han Chinese. The north-south population structure is consistent with the historical migration pattern of the Han Chinese population. Metropolitan cities in China were, however, more diffused “outliers,” probably because of the impact of modern migration of peoples. At a very local scale within the Guangdong province, we observed evidence of population structure among dialect groups, probably on account of endogamy within these dialects. Via simulation, we show that empirical levels of population structure observed across modern China can cause spurious associations in GWAS if not properly handled. In the Han Chinese, geographic matching is a good proxy for genetic matching, particularly in validation and candidate-gene studies in which population stratification cannot be directly accessed and accounted for because of the lack of genome-wide data, with the exception of the metropolitan cities, where geographical location is no longer a good indicator of ancestral origin. Our findings are important for designing GWAS in the Chinese population, an activity that is expected to intensify greatly in the near future. PMID:19944401

Multi-phase SPH model for simulation of erosion and scouring by means of the shields and Drucker-Prager criteria.

NASA Astrophysics Data System (ADS)

Zubeldia, Elizabeth H.; Fourtakas, Georgios; Rogers, Benedict D.; Farias, Márcio M.

2018-07-01

A two-phase numerical model using Smoothed Particle Hydrodynamics (SPH) is developed to model the scouring of two-phase liquid-sediments flows with large deformation. The rheology of sediment scouring due to flows with slow kinematics and high shear forces presents a challenge in terms of spurious numerical fluctuations. This paper bridges the gap between the non-Newtonian and Newtonian flows by proposing a model that combines the yielding, shear and suspension layer mechanics which are needed to predict accurately the local erosion phenomena. A critical bed-mobility condition based on the Shields criterion is imposed to the particles located at the sediment surface. Thus, the onset of the erosion process is independent on the pressure field and eliminates the numerical problem of pressure dependant erosion at the interface. This is combined with the Drucker-Prager yield criterion to predict the onset of yielding of the sediment surface and a concentration suspension model. The multi-phase model has been implemented in the open-source DualSPHysics code accelerated with a graphics processing unit (GPU). The multi-phase model has been compared with 2-D reference numerical models and new experimental data for scour with convergent results. Numerical results for a dry-bed dam break over an erodible bed shows improved agreement with experimental scour and water surface profiles compared to well-known SPH multi-phase models.

Numerical analysis for the stick-slip vibration of a transversely moving beam in contact with a frictional wall

NASA Astrophysics Data System (ADS)

Won, Hong-In; Chung, Jintai

2018-04-01

This paper presents a numerical analysis for the stick-slip vibration of a transversely moving beam, considering both stick-slip transition and friction force discontinuity. The dynamic state of the beam was separated into the stick state and the slip state, and boundary conditions were defined for both. By applying the finite element method, two matrix-vector equations were derived: one for stick state and the other for slip state. However, the equations have different degrees of freedom depending on whether the end of a beam sticks or slips, so we encountered difficulties in time integration. To overcome the difficulties, we proposed a new numerical technique to alternatively use the matrix-vector equations with different matrix sizes. In addition, to eliminate spurious high-frequency responses, we applied the generalized-α time integration method with appropriate value of high-frequency numerical dissipation. Finally, the dynamic responses of stick-slip vibration were analyzed in time and frequency domains: the dynamic behavior of the beam was explained to facilitate understanding of the stick-slip motion, and frequency characteristics of the stick-slip vibration were investigated in relation to the natural frequencies of the beam. The effects of the axial load and the moving speed upon the dynamic response were also examined.

Bernstein modes in a non-neutral plasma column

NASA Astrophysics Data System (ADS)

Walsh, Daniel; Dubin, Daniel H. E.

2018-05-01

This paper presents theory and numerical calculations of electrostatic Bernstein modes in an inhomogeneous cylindrical plasma column. These modes rely on finite Larmor radius effects to propagate radially across the column until they are reflected when their frequency matches the upper hybrid frequency. This reflection sets up an internal normal mode on the column and also mode-couples to the electrostatic surface cyclotron wave (which allows the normal mode to be excited and observed using external electrodes). Numerical results predicting the mode spectra, using a novel linear Vlasov code on a cylindrical grid, are presented and compared to an analytical Wentzel Kramers Brillouin (WKB) theory. A previous version of the theory [D. H. E. Dubin, Phys. Plasmas 20(4), 042120 (2013)] expanded the plasma response in powers of 1/B, approximating the local upper hybrid frequency, and consequently, its frequency predictions are spuriously shifted with respect to the numerical results presented here. A new version of the WKB theory avoids this approximation using the exact cold fluid plasma response and does a better job of reproducing the numerical frequency spectrum. The effect of multiple ion species on the mode spectrum is also considered, to make contact with experiments that observe cyclotron modes in a multi-species pure ion plasma [M. Affolter et al., Phys. Plasmas 22(5), 055701 (2015)].

Numerical and experimental modelling of the centrifugal compressor stage - setting the model of impellers with 2D blades

NASA Astrophysics Data System (ADS)

Matas, Richard; Syka, Tomáš; Luňáček, Ondřej

The article deals with a description of results from research and development of a radial compressor stage. The experimental compressor and used numerical models are briefly described. In the first part, the comparisons of characteristics obtained experimentally and by numerical simulations for stage with vaneless diffuser are described. In the second part, the results for stage with vanned diffuser are presented. The results are relevant for next studies in research and development process.

Elimination of numerical diffusion in 1 - phase and 2 - phase flows

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

Rajamaeki, M.

1997-07-01

The new hydraulics solution method PLIM (Piecewise Linear Interpolation Method) is capable of avoiding the excessive errors, numerical diffusion and also numerical dispersion. The hydraulics solver CFDPLIM uses PLIM and solves the time-dependent one-dimensional flow equations in network geometry. An example is given for 1-phase flow in the case when thermal-hydraulics and reactor kinetics are strongly coupled. Another example concerns oscillations in 2-phase flow. Both the example computations are not possible with conventional methods.

An exploratory study of a finite difference method for calculating unsteady transonic potential flow

NASA Technical Reports Server (NTRS)

Bennett, R. M.; Bland, S. R.

1979-01-01

A method for calculating transonic flow over steady and oscillating airfoils was developed by Isogai. The full potential equation is solved with a semi-implicit, time-marching, finite difference technique. Steady flow solutions are obtained from time asymptotic solutions for a steady airfoil. Corresponding oscillatory solutions are obtained by initiating an oscillation and marching in time for several cycles until a converged periodic solution is achieved. The method is described in general terms and results for the case of an airfoil with an oscillating flap are presented for Mach numbers 0.500 and 0.875. Although satisfactory results are obtained for some reduced frequencies, it is found that the numerical technique generates spurious oscillations in the indicial response functions and in the variation of the aerodynamic coefficients with reduced frequency. These oscillations are examined with a dynamic data reduction method to evaluate their effects and trends with reduced frequency and Mach number. Further development of the numerical method is needed to eliminate these oscillations.

Nonreflective Conditions for Perfectly Matched Layer in Computational Aeroacoustics

NASA Astrophysics Data System (ADS)

Choung, Hanahchim; Jang, Seokjong; Lee, Soogab

2018-05-01

In computational aeroacoustics, boundary conditions such as radiation, outflow, or absorbing boundary conditions are critical issues in that they can affect the entire solution of the computation. Among these types of boundary conditions, the perfectly matched layer boundary condition, which has been widely used in computational fluid dynamics and computational aeroacoustics, is developed by augmenting the additional term in the original governing equations by an absorption function so as to stably absorb the outgoing waves. Even if the perfectly matched layer is analytically a perfectly nonreflective boundary condition, spurious waves occur at the interface, since the analysis is performed in discretized space. Hence, this study is focused on factors that affect numerical errors from perfectly matched layer to find the optimum conditions for nonreflective PML. Through a mathematical approach, a minimum width of perfectly matched layer and an optimum absorption coefficient are suggested. To validate the prediction of the analysis, numerical simulations are performed in a generalized coordinate system, as well as in a Cartesian coordinate system.

A stabilized element-based finite volume method for poroelastic problems

NASA Astrophysics Data System (ADS)

Honório, Hermínio T.; Maliska, Clovis R.; Ferronato, Massimiliano; Janna, Carlo

2018-07-01

The coupled equations of Biot's poroelasticity, consisting of stress equilibrium and fluid mass balance in deforming porous media, are numerically solved. The governing partial differential equations are discretized by an Element-based Finite Volume Method (EbFVM), which can be used in three dimensional unstructured grids composed of elements of different types. One of the difficulties for solving these equations is the numerical pressure instability that can arise when undrained conditions take place. In this paper, a stabilization technique is developed to overcome this problem by employing an interpolation function for displacements that considers also the pressure gradient effect. The interpolation function is obtained by the so-called Physical Influence Scheme (PIS), typically employed for solving incompressible fluid flows governed by the Navier-Stokes equations. Classical problems with analytical solutions, as well as three-dimensional realistic cases are addressed. The results reveal that the proposed stabilization technique is able to eliminate the spurious pressure instabilities arising under undrained conditions at a low computational cost.

Direct numerical simulation of incompressible multiphase flow with phase change

NASA Astrophysics Data System (ADS)

Lee, Moon Soo; Riaz, Amir; Aute, Vikrant

2017-09-01

Simulation of multiphase flow with phase change is challenging because of the potential for unphysical pressure oscillations, spurious velocity fields and mass flux errors across the interface. The resulting numerical errors may become critical when large density contrasts are present. To address these issues, we present a new approach for multiphase flow with phase change that features, (i) a smooth distribution of sharp velocity jumps and mass flux within a narrow region surrounding the interface, (ii) improved mass flux projection from the implicit interface onto the uniform Cartesian grid and (iii) post-advection velocity correction step to ensure accurate velocity divergence in interfacial cells. These new features are implemented in combination with a sharp treatment of the jumps in pressure and temperature gradient. A series of 1-D, 2-D, axisymmetric and 3-D problems are solved to verify the improvements afforded by the new approach. Axisymmetric film boiling results are also presented, which show good qualitative agreement with heat transfer correlations as well as experimental observations of bubble shapes.

Molecular dynamics simulation of self-diffusion processes in titanium in bulk material, on grain junctions and on surface.

PubMed

Sushko, Gennady B; Verkhovtsev, Alexey V; Yakubovich, Alexander V; Schramm, Stefan; Solov'yov, Andrey V

2014-08-21

The process of self-diffusion of titanium atoms in a bulk material, on grain junctions and on surface is explored numerically in a broad temperature range by means of classical molecular dynamics simulation. The analysis is carried out for a nanoscale cylindrical sample consisting of three adjacent sectors and various junctions between nanocrystals. The calculated diffusion coefficient varies by several orders of magnitude for different regions of the sample. The calculated values of the bulk diffusion coefficient correspond reasonably well to the experimental data obtained for solid and molten states of titanium. Investigation of diffusion in the nanocrystalline titanium is of a significant importance because of its numerous technological applications. This paper aims to reduce the lack of data on diffusion in titanium and describe the processes occurring in bulk, at different interfaces and on surface of the crystalline titanium.

Nature of self-diffusion in two-dimensional fluids

NASA Astrophysics Data System (ADS)

Choi, Bongsik; Han, Kyeong Hwan; Kim, Changho; Talkner, Peter; Kidera, Akinori; Lee, Eok Kyun

2017-12-01

Self-diffusion in a two-dimensional simple fluid is investigated by both analytical and numerical means. We investigate the anomalous aspects of self-diffusion in two-dimensional fluids with regards to the mean square displacement, the time-dependent diffusion coefficient, and the velocity autocorrelation function (VACF) using a consistency equation relating these quantities. We numerically confirm the consistency equation by extensive molecular dynamics simulations for finite systems, corroborate earlier results indicating that the kinematic viscosity approaches a finite, non-vanishing value in the thermodynamic limit, and establish the finite size behavior of the diffusion coefficient. We obtain the exact solution of the consistency equation in the thermodynamic limit and use this solution to determine the large time asymptotics of the mean square displacement, the diffusion coefficient, and the VACF. An asymptotic decay law of the VACF resembles the previously known self-consistent form, 1/(t\\sqrt{{ln}t}), however with a rescaled time.

Numerical investigations of hybrid rocket engines

NASA Astrophysics Data System (ADS)

Betelin, V. B.; Kushnirenko, A. G.; Smirnov, N. N.; Nikitin, V. F.; Tyurenkova, V. V.; Stamov, L. I.

2018-03-01

Paper presents the results of numerical studies of hybrid rocket engines operating cycle including unsteady-state transition stage. A mathematical model is developed accounting for the peculiarities of diffusion combustion of fuel in the flow of oxidant, which is composed of oxygen-nitrogen mixture. Three dimensional unsteady-state simulations of chemically reacting gas mixture above thermochemically destructing surface are performed. The results show that the diffusion combustion brings to strongly non-uniform fuel mass regression rate in the flow direction. Diffusive deceleration of chemical reaction brings to the decrease of fuel regression rate in the longitudinal direction.

A Fractional PDE Approach to Turbulent Mixing; Part II: Numerical Simulation

NASA Astrophysics Data System (ADS)

Samiee, Mehdi; Zayernouri, Mohsen

2016-11-01

We propose a generalizing fractional order transport model of advection-diffusion kind with fractional time- and space-derivatives, governing the evolution of passive scalar turbulence. This approach allows one to incorporate the nonlocal and memory effects in the underlying anomalous diffusion i.e., sub-to-standard diffusion to model the trapping of particles inside the eddied, and super-diffusion associated with the sudden jumps of particles from one coherent region to another. For this nonlocal model, we develop a high order numerical (spectral) method in addition to a fast solver, examined in the context of some canonical problems. PhD student, Department of Mechanical Engineering, & Department Computational Mathematics, Science, and Engineering.

Diffusion in random networks: Asymptotic properties, and numerical and engineering approximations

NASA Astrophysics Data System (ADS)

Padrino, Juan C.; Zhang, Duan Z.

2016-11-01

The ensemble phase averaging technique is applied to model mass transport by diffusion in random networks. The system consists of an ensemble of random networks, where each network is made of a set of pockets connected by tortuous channels. Inside a channel, we assume that fluid transport is governed by the one-dimensional diffusion equation. Mass balance leads to an integro-differential equation for the pores mass density. The so-called dual porosity model is found to be equivalent to the leading order approximation of the integration kernel when the diffusion time scale inside the channels is small compared to the macroscopic time scale. As a test problem, we consider the one-dimensional mass diffusion in a semi-infinite domain, whose solution is sought numerically. Because of the required time to establish the linear concentration profile inside a channel, for early times the similarity variable is xt- 1 / 4 rather than xt- 1 / 2 as in the traditional theory. This early time sub-diffusive similarity can be explained by random walk theory through the network. In addition, by applying concepts of fractional calculus, we show that, for small time, the governing equation reduces to a fractional diffusion equation with known solution. We recast this solution in terms of special functions easier to compute. Comparison of the numerical and exact solutions shows excellent agreement.

Residual Negative Pressure in Vacuum Tubes Might Increase the Risk of Spurious Hemolysis.

PubMed

Xiao, Tong-Tong; Zhang, Qiao-Xin; Hu, Jing; Ouyang, Hui-Zhen; Cai, Ying-Mu

2017-05-01

We planned a study to establish whether spurious hemolysis may occur when negative pressure remains in vacuum tubes. Four tubes with different vacuum levels (-54, -65, -74, and -86 kPa) were used to examine blood drawn from one healthy volunteer; the tubes were allowed to stand for different times (1, 2, 3, and 4 hours). The plasma was separated and immediately tested for free hemoglobin (FHb). Thirty patients were enrolled in a verification experiment. The degree of hemolysis observed was greater when the remaining negative pressure was higher. Significant differences were recorded in the verification experiment. The results suggest that residual negative pressure might increase the risk of spurious hemolysis.

Quantum State Diffusion

NASA Astrophysics Data System (ADS)

Percival, Ian

2005-10-01

1. Introduction; 2. Brownian motion and Itô calculus; 3. Open quantum systems; 4. Quantum state diffusion; 5. Localisation; 6. Numerical methods and examples; 7. Quantum foundations; 8. Primary state diffusion; 9. Classical dynamics of quantum localisation; 10. Semiclassical theory and linear dynamics.

Space-time adaptive ADER-DG schemes for dissipative flows: Compressible Navier-Stokes and resistive MHD equations

NASA Astrophysics Data System (ADS)

Fambri, Francesco; Dumbser, Michael; Zanotti, Olindo

2017-11-01

This paper presents an arbitrary high-order accurate ADER Discontinuous Galerkin (DG) method on space-time adaptive meshes (AMR) for the solution of two important families of non-linear time dependent partial differential equations for compressible dissipative flows : the compressible Navier-Stokes equations and the equations of viscous and resistive magnetohydrodynamics in two and three space-dimensions. The work continues a recent series of papers concerning the development and application of a proper a posteriori subcell finite volume limiting procedure suitable for discontinuous Galerkin methods (Dumbser et al., 2014, Zanotti et al., 2015 [40,41]). It is a well known fact that a major weakness of high order DG methods lies in the difficulty of limiting discontinuous solutions, which generate spurious oscillations, namely the so-called 'Gibbs phenomenon'. In the present work, a nonlinear stabilization of the scheme is sequentially and locally introduced only for troubled cells on the basis of a novel a posteriori detection criterion, i.e. the MOOD approach. The main benefits of the MOOD paradigm, i.e. the computational robustness even in the presence of strong shocks, are preserved and the numerical diffusion is considerably reduced also for the limited cells by resorting to a proper sub-grid. In practice the method first produces a so-called candidate solution by using a high order accurate unlimited DG scheme. Then, a set of numerical and physical detection criteria is applied to the candidate solution, namely: positivity of pressure and density, absence of floating point errors and satisfaction of a discrete maximum principle in the sense of polynomials. Furthermore, in those cells where at least one of these criteria is violated the computed candidate solution is detected as troubled and is locally rejected. Subsequently, a more reliable numerical solution is recomputed a posteriori by employing a more robust but still very accurate ADER-WENO finite volume scheme on the subgrid averages within that troubled cell. Finally, a high order DG polynomial is reconstructed back from the evolved subcell averages. We apply the whole approach for the first time to the equations of compressible gas dynamics and magnetohydrodynamics in the presence of viscosity, thermal conductivity and magnetic resistivity, therefore extending our family of adaptive ADER-DG schemes to cases for which the numerical fluxes also depend on the gradient of the state vector. The distinguished high-resolution properties of the presented numerical scheme standout against a wide number of non-trivial test cases both for the compressible Navier-Stokes and the viscous and resistive magnetohydrodynamics equations. The present results show clearly that the shock-capturing capability of the news schemes is significantly enhanced within a cell-by-cell Adaptive Mesh Refinement (AMR) implementation together with time accurate local time stepping (LTS).

Adaptive Osher-type scheme for the Euler equations with highly nonlinear equations of state

NASA Astrophysics Data System (ADS)

Lee, Bok Jik; Toro, Eleuterio F.; Castro, Cristóbal E.; Nikiforakis, Nikolaos

2013-08-01

For the numerical simulation of detonation of condensed phase explosives, a complex equation of state (EOS), such as the Jones-Wilkins-Lee (JWL) EOS or the Cochran-Chan (C-C) EOS, are widely used. However, when a conservative scheme is used for solving the Euler equations with such equations of state, a spurious solution across the contact discontinuity, a well known phenomenon in multi-fluid systems, arises even for single materials. In this work, we develop a generalised Osher-type scheme in an adaptive primitive-conservative framework to overcome the aforementioned difficulties. Resulting numerical solutions are compared with the exact solutions and with the numerical solutions from the Godunov method in conjunction with the exact Riemann solver for the Euler equations with Mie-Grüneisen form of equations of state, such as the JWL and the C-C equations of state. The adaptive scheme is extended to second order and its empirical convergence rates are presented, verifying second order accuracy for smooth solutions. Through a suite of several tests problems in one and two space dimensions we illustrate the failure of conservative schemes and the capability of the methods of this paper to overcome the difficulties.

Chaotic advection at large Péclet number: Electromagnetically driven experiments, numerical simulations, and theoretical predictions

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

Figueroa, Aldo; Meunier, Patrice; Villermaux, Emmanuel

2014-01-15

We present a combination of experiment, theory, and modelling on laminar mixing at large Péclet number. The flow is produced by oscillating electromagnetic forces in a thin electrolytic fluid layer, leading to oscillating dipoles, quadrupoles, octopoles, and disordered flows. The numerical simulations are based on the Diffusive Strip Method (DSM) which was recently introduced (P. Meunier and E. Villermaux, “The diffusive strip method for scalar mixing in two-dimensions,” J. Fluid Mech. 662, 134–172 (2010)) to solve the advection-diffusion problem by combining Lagrangian techniques and theoretical modelling of the diffusion. Numerical simulations obtained with the DSM are in reasonable agreement withmore » quantitative dye visualization experiments of the scalar fields. A theoretical model based on log-normal Probability Density Functions (PDFs) of stretching factors, characteristic of homogeneous turbulence in the Batchelor regime, allows to predict the PDFs of scalar in agreement with numerical and experimental results. This model also indicates that the PDFs of scalar are asymptotically close to log-normal at late stages, except for the large concentration levels which correspond to low stretching factors.« less

Leakage flow simulation in a specific pump model

NASA Astrophysics Data System (ADS)

Dupont, P.; Bayeul-Lainé, A. C.; Dazin, A.; Bois, G.; Roussette, O.; Si, Q.

2014-03-01

This paper deals with the influence of leakage flow existing in SHF pump model on the analysis of internal flow behaviour inside the vane diffuser of the pump model performance using both experiments and calculations. PIV measurements have been performed at different hub to shroud planes inside one diffuser channel passage for a given speed of rotation and various flow rates. For each operating condition, the PIV measurements have been trigged with different angular impeller positions. The performances and the static pressure rise of the diffuser were also measured using a three-hole probe. The numerical simulations were carried out with Star CCM+ 8.06 code (RANS frozen and unsteady calculations). Comparisons between numerical and experimental results are presented and discussed for three flow rates. The performances of the diffuser obtained by numerical simulation results are compared to the performances obtained by three-hole probe indications. The comparisons show few influence of fluid leakage on global performances but a real improvement concerning the efficiency of the impeller, the pump and the velocity distributions. These results show that leakage is an important parameter that has to be taken into account in order to make improved comparisons between numerical approaches and experiments in such a specific model set up.

Mode suppression means for gyrotron cavities

DOEpatents

Chodorow, Marvin; Symons, Robert S.

1983-08-09

In a gyrotron electron tube of the gyro-klystron or gyro-monotron type, having a cavity supporting an electromagnetic mode with circular electric field, spurious resonances can occur in modes having noncircular electric field. These spurious resonances are damped and their frequencies shifted by a circular groove in the cavity parallel to the electric field.

Numerical investigation of a centrifugal compressor with circumferential grooves in vane diffuser

NASA Astrophysics Data System (ADS)

Chen, X. F.; Qin, G. L.; Ai, Z. J.

2015-08-01

Enhancing stall and surge margin has a great importance for the development of turbo compressors. The application of casing treatment is an effective measure to expand the stall margin and stable operation range. Numerical investigations were conducted to predict the performance of a low flow rate centrifugal compressor with circumferential groove casing treatment in vane diffuser. Numerical cases with different radial location, radial width and axial depth of a circumferential single groove and different numbers of circumferential grooves were carried out to compare the results. The CFD analyses results show that the centrifugal compressor with circumferential grooves in diffuser can extend stable range by about 9% while the efficiency over the whole operating range decreases by 0.2 to 1.7%. The evaluation based on stall margin improvement showed the optimal position for the groove to be located was indicated to exist near the leading edge of the diffuser, and a combination of position, width, depth and numbers of circumferential grooves that will maximize both surge margin range and efficiency.

Numerical Analysis of Transient Temperature Response of Soap Film

NASA Astrophysics Data System (ADS)

Tanaka, Seiichi; Tatesaku, Akihiro; Dantsuka, Yuki; Fujiwara, Seiji; Kunimine, Kanji

2015-11-01

Measurements of thermophysical properties of thin liquid films are important to understand interfacial phenomena due to film structures composed of amphiphilic molecules in soap film, phospholipid bilayer of biological cell and emulsion. A transient hot-wire technique for liquid films less than 1 \\upmu m thick such as soap film has been proposed to measure the thermal conductivity and diffusivity simultaneously. Two-dimensional heat conduction equations for a solid cylinder with a liquid film have been solved numerically. The temperature of a thin wire with liquid film increases steeply with its own heat generation. The feasibility of this technique is verified through numerical experiments for various thermal conductivities, diffusivities, and film thicknesses. Calculated results indicate that the increase in the volumetric average temperature of the thin wire sufficiently varies with the change of thermal conductivity and diffusivity of the soap film. Therefore, the temperature characteristics could be utilized to evaluate both the thermal conductivity and diffusivity using the Gauss-Newton method.

A signature of anisotropic cosmic-ray transport in the gamma-ray sky

NASA Astrophysics Data System (ADS)

Cerri, Silvio Sergio; Gaggero, Daniele; Vittino, Andrea; Evoli, Carmelo; Grasso, Dario

2017-10-01

A crucial process in Galactic cosmic-ray (CR) transport is the spatial diffusion due to the interaction with the interstellar turbulent magnetic field. Usually, CR diffusion is assumed to be uniform and isotropic all across the Galaxy. However, this picture is clearly inaccurate: several data-driven and theoretical arguments, as well as dedicated numerical simulations, show that diffusion exhibits highly anisotropic properties with respect to the direction of a background (ordered) magnetic field (i.e., parallel or perpendicular to it). In this paper we focus on a recently discovered anomaly in the hadronic CR spectrum inferred by the Fermi-LAT gamma-ray data at different positions in the Galaxy, i.e. the progressive hardening of the proton slope at low Galactocentric radii. We propose the idea that this feature can be interpreted as a signature of anisotropic diffusion in the complex Galactic magnetic field: in particular, the harder slope in the inner Galaxy is due, in our scenario, to the parallel diffusive escape along the poloidal component of the large-scale, regular, magnetic field. We implement this idea in a numerical framework, based on the DRAGON code, and perform detailed numerical tests on the accuracy of our setup. We discuss how the effect proposed depends on the relevant free parameters involved. Based on low-energy extrapolation of the few focused numerical simulations aimed at determining the scalings of the anisotropic diffusion coefficients, we finally present a set of plausible models that reproduce the behavior of the CR proton slopes inferred by gamma-ray data.

A signature of anisotropic cosmic-ray transport in the gamma-ray sky

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

Cerri, Silvio Sergio; Grasso, Dario; Gaggero, Daniele

A crucial process in Galactic cosmic-ray (CR) transport is the spatial diffusion due to the interaction with the interstellar turbulent magnetic field. Usually, CR diffusion is assumed to be uniform and isotropic all across the Galaxy. However, this picture is clearly inaccurate: several data-driven and theoretical arguments, as well as dedicated numerical simulations, show that diffusion exhibits highly anisotropic properties with respect to the direction of a background (ordered) magnetic field (i.e., parallel or perpendicular to it). In this paper we focus on a recently discovered anomaly in the hadronic CR spectrum inferred by the Fermi-LAT gamma-ray data at differentmore » positions in the Galaxy, i.e. the progressive hardening of the proton slope at low Galactocentric radii. We propose the idea that this feature can be interpreted as a signature of anisotropic diffusion in the complex Galactic magnetic field: in particular, the harder slope in the inner Galaxy is due, in our scenario, to the parallel diffusive escape along the poloidal component of the large-scale, regular, magnetic field. We implement this idea in a numerical framework, based on the DRAGON code, and perform detailed numerical tests on the accuracy of our setup. We discuss how the effect proposed depends on the relevant free parameters involved. Based on low-energy extrapolation of the few focused numerical simulations aimed at determining the scalings of the anisotropic diffusion coefficients, we finally present a set of plausible models that reproduce the behavior of the CR proton slopes inferred by gamma-ray data.« less

Numerical Simulation of Transient Liquid Phase Bonding under Temperature Gradient

NASA Astrophysics Data System (ADS)

Ghobadi Bigvand, Arian

Transient Liquid Phase bonding under Temperature Gradient (TG-TLP bonding) is a relatively new process of TLP diffusion bonding family for joining difficult-to-weld aerospace materials. Earlier studies have suggested that in contrast to the conventional TLP bonding process, liquid state diffusion drives joint solidification in TG-TLP bonding process. In the present work, a mass conservative numerical model that considers asymmetry in joint solidification is developed using finite element method to properly study the TG-TLP bonding process. The numerical results, which are experimentally verified, show that unlike what has been previously reported, solid state diffusion plays a major role in controlling the solidification behavior during TG-TLP bonding process. The newly developed model provides a vital tool for further elucidation of the TG-TLP bonding process.

Simulation of Helical Flow Hydrodynamics in Meanders and Advection-Turbulent Diffusion Using Smoothed Particle Hydrodynamics

NASA Astrophysics Data System (ADS)

Gusti, T. P.; Hertanti, D. R.; Bahsan, E.; Soeryantono, H.

2013-12-01

Particle-based numerical methods, such as Smoothed Particle Hydrodynamics (SPH), may be able to simulate some hydrodynamic and morphodynamic behaviors better than grid-based numerical methods. This study simulates hydrodynamics in meanders and advection and turbulent diffusion in straight river channels using Microsoft Excel and Visual Basic. The simulators generate three-dimensional data for hydrodynamics and one-dimensional data for advection-turbulent diffusion. Fluid at rest, sloshing, and helical flow are simulated in the river meanders. Spill loading and step loading are done to simulate concentration patterns associated with advection-turbulent diffusion. Results indicate that helical flow is formed due to disturbance in morphology and particle velocity in the stream and the number of particles does not have a significant effect on the pattern of advection-turbulent diffusion concentration.

Analysis and design of numerical schemes for gas dynamics. 2: Artificial diffusion and discrete shock structure

NASA Technical Reports Server (NTRS)

Jameson, Antony

1994-01-01

The effect of artificial diffusion on discrete shock structures is examined for a family of schemes which includes scalar diffusion, convective upwind and split pressure (CUSP) schemes, and upwind schemes with characteristics splitting. The analysis leads to conditions on the diffusive flux such that stationary discrete shocks can contain a single interior point. The simplest formulation which meets these conditions is a CUSP scheme in which the coefficients of the pressure differences is fully determined by the coefficient of convective diffusion. It is also shown how both the characteristic and CUSP schemes can be modified to preserve constant stagnation enthalpy in steady flow, leading to four variants, the E and H-characteristic schemes, and the E and H-CUSP schemes. Numerical results are presented which confirm the properties of these schemes.

Determining anisotropic conductivity using diffusion tensor imaging data in magneto-acoustic tomography with magnetic induction

NASA Astrophysics Data System (ADS)

Ammari, Habib; Qiu, Lingyun; Santosa, Fadil; Zhang, Wenlong

2017-12-01

In this paper we present a mathematical and numerical framework for a procedure of imaging anisotropic electrical conductivity tensor by integrating magneto-acoutic tomography with data acquired from diffusion tensor imaging. Magneto-acoustic tomography with magnetic induction (MAT-MI) is a hybrid, non-invasive medical imaging technique to produce conductivity images with improved spatial resolution and accuracy. Diffusion tensor imaging (DTI) is also a non-invasive technique for characterizing the diffusion properties of water molecules in tissues. We propose a model for anisotropic conductivity in which the conductivity is proportional to the diffusion tensor. Under this assumption, we propose an optimal control approach for reconstructing the anisotropic electrical conductivity tensor. We prove convergence and Lipschitz type stability of the algorithm and present numerical examples to illustrate its accuracy and feasibility.

Effective diffusion coefficient including the Marangoni effect

NASA Astrophysics Data System (ADS)

Kitahata, Hiroyuki; Yoshinaga, Natsuhiko

2018-04-01

Surface-active molecules supplied from a particle fixed at the water surface create a spatial gradient of the molecule concentration, resulting in Marangoni convection. Convective flow transports the molecules far from the particle, enhancing diffusion. We analytically derive the effective diffusion coefficient associated with the Marangoni convection rolls. The resulting estimated effective diffusion coefficient is consistent with our numerical results and the apparent diffusion coefficient measured in experiments.

Non-standard finite difference and Chebyshev collocation methods for solving fractional diffusion equation

NASA Astrophysics Data System (ADS)

Agarwal, P.; El-Sayed, A. A.

2018-06-01

In this paper, a new numerical technique for solving the fractional order diffusion equation is introduced. This technique basically depends on the Non-Standard finite difference method (NSFD) and Chebyshev collocation method, where the fractional derivatives are described in terms of the Caputo sense. The Chebyshev collocation method with the (NSFD) method is used to convert the problem into a system of algebraic equations. These equations solved numerically using Newton's iteration method. The applicability, reliability, and efficiency of the presented technique are demonstrated through some given numerical examples.

Phase-field-based lattice Boltzmann model for incompressible binary fluid systems with density and viscosity contrasts.

PubMed

Zu, Y Q; He, S

2013-04-01

A lattice Boltzmann model (LBM) is proposed based on the phase-field theory to simulate incompressible binary fluids with density and viscosity contrasts. Unlike many existing diffuse interface models which are limited to density matched binary fluids, the proposed model is capable of dealing with binary fluids with moderate density ratios. A new strategy for projecting the phase field to the viscosity field is proposed on the basis of the continuity of viscosity flux. The new LBM utilizes two lattice Boltzmann equations (LBEs): one for the interface tracking and the other for solving the hydrodynamic properties. The LBE for interface tracking can recover the Chan-Hilliard equation without any additional terms; while the LBE for hydrodynamic properties can recover the exact form of the divergence-free incompressible Navier-Stokes equations avoiding spurious interfacial forces. A series of 2D and 3D benchmark tests have been conducted for validation, which include a rigid-body rotation, stationary and moving droplets, a spinodal decomposition, a buoyancy-driven bubbly flow, a layered Poiseuille flow, and the Rayleigh-Taylor instability. It is shown that the proposed method can track the interface with high accuracy and stability and can significantly and systematically reduce the parasitic current across the interface. Comparisons with momentum-based models indicate that the newly proposed velocity-based model can better satisfy the incompressible condition in the flow fields, and eliminate or reduce the velocity fluctuations in the higher-pressure-gradient region and, therefore, achieve a better numerical stability. In addition, the test of a layered Poiseuille flow demonstrates that the proposed scheme for mixture viscosity performs significantly better than the traditional mixture viscosity methods.

Qualitative simulation for process modeling and control

NASA Technical Reports Server (NTRS)

Dalle Molle, D. T.; Edgar, T. F.

1989-01-01

A qualitative model is developed for a first-order system with a proportional-integral controller without precise knowledge of the process or controller parameters. Simulation of the qualitative model yields all of the solutions to the system equations. In developing the qualitative model, a necessary condition for the occurrence of oscillatory behavior is identified. Initializations that cannot exhibit oscillatory behavior produce a finite set of behaviors. When the phase-space behavior of the oscillatory behavior is properly constrained, these initializations produce an infinite but comprehensible set of asymptotically stable behaviors. While the predictions include all possible behaviors of the real system, a class of spurious behaviors has been identified. When limited numerical information is included in the model, the number of predictions is significantly reduced.

Investigations inside a vaned diffuser of a centrifugal pump at low flowrates.

NASA Astrophysics Data System (ADS)

Bayeul-Lainé, A. C.; Dupont, P.; Dazin, A.; Bois, G.

2016-11-01

This paper focuses on the unsteady flow behaviour inside the vaned diffuser of a radial flow pump model, operating at partial flowrates (0.387Qi, 0.584Qi and 0.766Qi where Qi is the impeller design flowrate).The effects of the leakage flows are taken into account in the analysis. PIV measurements have been performed at different hub to shroud planes inside one diffuser channel passage for a given speed of rotation, for several flowrates and different angular impeller positions. The performances and the static pressure rise of the diffuser were also measured using a three-holes probe in the same experimental conditions. The unsteady numerical simulations were carried out with Star CCM+ 10.02 code with and without leakage flow. The PIV measurements showed a high unsteadiness at very low flowrate which was confirmed by the numerical calculations. In previous studies it has been shown that the global performances, as the efficiencies are in good agreement between calculations and measurements. In this paper, a joint analysis of measurements and numerical calculations is proposed to improve the understanding of the flow behaviour in a vaned diffuser.

Turbulent diffusion of chemically reacting flows: Theory and numerical simulations

NASA Astrophysics Data System (ADS)

Elperin, T.; Kleeorin, N.; Liberman, M.; Lipatnikov, A. N.; Rogachevskii, I.; Yu, R.

2017-11-01

The theory of turbulent diffusion of chemically reacting gaseous admixtures developed previously [T. Elperin et al., Phys. Rev. E 90, 053001 (2014), 10.1103/PhysRevE.90.053001] is generalized for large yet finite Reynolds numbers and the dependence of turbulent diffusion coefficient on two parameters, the Reynolds number and Damköhler number (which characterizes a ratio of turbulent and reaction time scales), is obtained. Three-dimensional direct numerical simulations (DNSs) of a finite-thickness reaction wave for the first-order chemical reactions propagating in forced, homogeneous, isotropic, and incompressible turbulence are performed to validate the theoretically predicted effect of chemical reactions on turbulent diffusion. It is shown that the obtained DNS results are in good agreement with the developed theory.

Turbulent diffusion of chemically reacting flows: Theory and numerical simulations.

PubMed

Elperin, T; Kleeorin, N; Liberman, M; Lipatnikov, A N; Rogachevskii, I; Yu, R

2017-11-01

The theory of turbulent diffusion of chemically reacting gaseous admixtures developed previously [T. Elperin et al., Phys. Rev. E 90, 053001 (2014)PLEEE81539-375510.1103/PhysRevE.90.053001] is generalized for large yet finite Reynolds numbers and the dependence of turbulent diffusion coefficient on two parameters, the Reynolds number and Damköhler number (which characterizes a ratio of turbulent and reaction time scales), is obtained. Three-dimensional direct numerical simulations (DNSs) of a finite-thickness reaction wave for the first-order chemical reactions propagating in forced, homogeneous, isotropic, and incompressible turbulence are performed to validate the theoretically predicted effect of chemical reactions on turbulent diffusion. It is shown that the obtained DNS results are in good agreement with the developed theory.

A numerical study of the steady scalar convective diffusion equation for small viscosity

NASA Technical Reports Server (NTRS)

Giles, M. B.; Rose, M. E.

1983-01-01

A time-independent convection diffusion equation is studied by means of a compact finite difference scheme and numerical solutions are compared to the analytic inviscid solutions. The correct internal and external boundary layer behavior is observed, due to an inherent feature of the scheme which automatically produces upwind differencing in inviscid regions and the correct viscous behavior in viscous regions.

A Bayesian Scoring Technique for Mining Predictive and Non-Spurious Rules

PubMed Central

Batal, Iyad; Cooper, Gregory; Hauskrecht, Milos

2015-01-01

Rule mining is an important class of data mining methods for discovering interesting patterns in data. The success of a rule mining method heavily depends on the evaluation function that is used to assess the quality of the rules. In this work, we propose a new rule evaluation score - the Predictive and Non-Spurious Rules (PNSR) score. This score relies on Bayesian inference to evaluate the quality of the rules and considers the structure of the rules to filter out spurious rules. We present an efficient algorithm for finding rules with high PNSR scores. The experiments demonstrate that our method is able to cover and explain the data with a much smaller rule set than existing methods. PMID:25938136

A Bayesian Scoring Technique for Mining Predictive and Non-Spurious Rules.

PubMed

Batal, Iyad; Cooper, Gregory; Hauskrecht, Milos

Rule mining is an important class of data mining methods for discovering interesting patterns in data. The success of a rule mining method heavily depends on the evaluation function that is used to assess the quality of the rules. In this work, we propose a new rule evaluation score - the Predictive and Non-Spurious Rules (PNSR) score. This score relies on Bayesian inference to evaluate the quality of the rules and considers the structure of the rules to filter out spurious rules. We present an efficient algorithm for finding rules with high PNSR scores. The experiments demonstrate that our method is able to cover and explain the data with a much smaller rule set than existing methods.

A numerical simulation of the flow in the diffuser of the NASA Lewis icing research tunnel

NASA Technical Reports Server (NTRS)

Addy, Harold E., Jr.; Keith, Theo G., Jr.

1990-01-01

The flow in the diffuser section of the Icing Research Tunnel at the NASA Lewis Research Center is numerically investigated. To accomplish this, an existing computer code is utilized. The code, known as PARC3D, is based on the Beam-Warming algorithm applied to the strong conservation law form of the complete Navier-Stokes equations. The first portion of the paper consists of a brief description of the diffuser and its current flow characteristics. A brief discussion of the code work follows. Predicted velocity patterns are then compared with the measured values.

Cosmic-ray propagation with DRAGON2: I. numerical solver and astrophysical ingredients

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

Evoli, Carmelo; Gaggero, Daniele; Vittino, Andrea

2017-02-01

We present version 2 of the DRAGON code designed for computing realistic predictions of the CR densities in the Galaxy. The code numerically solves the interstellar CR transport equation (including inhomogeneous and anisotropic diffusion, either in space and momentum, advective transport and energy losses), under realistic conditions. The new version includes an updated numerical solver and several models for the astrophysical ingredients involved in the transport equation. Improvements in the accuracy of the numerical solution are proved against analytical solutions and in reference diffusion scenarios. The novel features implemented in the code allow to simulate the diverse scenarios proposed tomore » reproduce the most recent measurements of local and diffuse CR fluxes, going beyond the limitations of the homogeneous galactic transport paradigm. To this end, several applications using DRAGON2 are presented as well. This new version facilitates the users to include their own physical models by means of a modular C++ structure.« less

NUMERICAL ANALYSES FOR TREATING DIFFUSION IN SINGLE-, TWO-, AND THREE-PHASE BINARY ALLOY SYSTEMS

NASA Technical Reports Server (NTRS)

Tenney, D. R.

1994-01-01

This package consists of a series of three computer programs for treating one-dimensional transient diffusion problems in single and multiple phase binary alloy systems. An accurate understanding of the diffusion process is important in the development and production of binary alloys. Previous solutions of the diffusion equations were highly restricted in their scope and application. The finite-difference solutions developed for this package are applicable for planar, cylindrical, and spherical geometries with any diffusion-zone size and any continuous variation of the diffusion coefficient with concentration. Special techniques were included to account for differences in modal volumes, initiation and growth of an intermediate phase, disappearance of a phase, and the presence of an initial composition profile in the specimen. In each analysis, an effort was made to achieve good accuracy while minimizing computation time. The solutions to the diffusion equations for single-, two-, and threephase binary alloy systems are numerically calculated by the three programs NAD1, NAD2, and NAD3. NAD1 treats the diffusion between pure metals which belong to a single-phase system. Diffusion in this system is described by a one-dimensional Fick's second law and will result in a continuous composition variation. For computational purposes, Fick's second law is expressed as an explicit second-order finite difference equation. Finite difference calculations are made by choosing the grid spacing small enough to give convergent solutions of acceptable accuracy. NAD2 treats diffusion between pure metals which form a two-phase system. Diffusion in the twophase system is described by two partial differential equations (a Fick's second law for each phase) and an interface-flux-balance equation which describes the location of the interface. Actual interface motion is obtained by a mass conservation procedure. To account for changes in the thicknesses of the two phases as diffusion progresses, a variable grid technique developed by Murray and Landis is employed. These equations are expressed in finite difference form and solved numerically. Program NAD3 treats diffusion between pure metals which form a two-phase system with an intermediate third phase. Diffusion in the three-phase system is described by three partial differential expressions of Fick's second law and two interface-flux-balance equations. As with the two-phase case, a variable grid finite difference is used to numerically solve the diffusion equations. Computation time is minimized without sacrificing solution accuracy by treating the three-phase problem as a two-phase problem when the thickness of the intermediate phase is less than a preset value. Comparisons between these programs and other solutions have shown excellent agreement. The programs are written in FORTRAN IV for batch execution on the CDC 6600 with a central memory requirement of approximately 51K (octal) 60 bit words.

Optimal Network Modularity for Information Diffusion

NASA Astrophysics Data System (ADS)

Nematzadeh, Azadeh; Ferrara, Emilio; Flammini, Alessandro; Ahn, Yong-Yeol

2014-08-01

We investigate the impact of community structure on information diffusion with the linear threshold model. Our results demonstrate that modular structure may have counterintuitive effects on information diffusion when social reinforcement is present. We show that strong communities can facilitate global diffusion by enhancing local, intracommunity spreading. Using both analytic approaches and numerical simulations, we demonstrate the existence of an optimal network modularity, where global diffusion requires the minimal number of early adopters.

Nature of self-diffusion in two-dimensional fluids

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

Choi, Bongsik; Han, Kyeong Hwan; Kim, Changho

Self-diffusion in a two-dimensional simple fluid is investigated by both analytical and numerical means. We investigate the anomalous aspects of self-diffusion in two-dimensional fluids with regards to the mean square displacement, the time-dependent diffusion coefficient, and the velocity autocorrelation function (VACF) using a consistency equation relating these quantities. Here, we numerically confirm the consistency equation by extensive molecular dynamics simulations for finite systems, corroborate earlier results indicating that the kinematic viscosity approaches a finite, non-vanishing value in the thermodynamic limit, and establish the finite size behavior of the diffusion coefficient. We obtain the exact solution of the consistency equation in the thermodynamic limit and use this solution to determine the large time asymptotics of the mean square displacement, the diffusion coefficient, and the VACF. An asymptotic decay law of the VACF resembles the previously known self-consistent form, 1/(more » $$t\\sqrt{In t)}$$ however with a rescaled time.« less

Nature of self-diffusion in two-dimensional fluids

DOE PAGES

Choi, Bongsik; Han, Kyeong Hwan; Kim, Changho; ...

2017-12-18

Self-diffusion in a two-dimensional simple fluid is investigated by both analytical and numerical means. We investigate the anomalous aspects of self-diffusion in two-dimensional fluids with regards to the mean square displacement, the time-dependent diffusion coefficient, and the velocity autocorrelation function (VACF) using a consistency equation relating these quantities. Here, we numerically confirm the consistency equation by extensive molecular dynamics simulations for finite systems, corroborate earlier results indicating that the kinematic viscosity approaches a finite, non-vanishing value in the thermodynamic limit, and establish the finite size behavior of the diffusion coefficient. We obtain the exact solution of the consistency equation in the thermodynamic limit and use this solution to determine the large time asymptotics of the mean square displacement, the diffusion coefficient, and the VACF. An asymptotic decay law of the VACF resembles the previously known self-consistent form, 1/(more » $$t\\sqrt{In t)}$$ however with a rescaled time.« less

The effects of the Asselin time filter on numerical solutions to the linearized shallow-water wave equations

NASA Technical Reports Server (NTRS)

Schlesinger, R. E.; Johnson, D. R.; Uccellini, L. W.

1983-01-01

In the present investigation, a one-dimensional linearized analysis is used to determine the effect of Asselin's (1972) time filter on both the computational stability and phase error of numerical solutions for the shallow water wave equations, in cases with diffusion but without rotation. An attempt has been made to establish the approximate optimal values of the filtering parameter nu for each of the 'lagged', Dufort-Frankel, and Crank-Nicholson diffusion schemes, suppressing the computational wave mode without materially altering the physical wave mode. It is determined that in the presence of diffusion, the optimum filter length depends on whether waves are undergoing significant propagation. When moderate propagation is present, with or without diffusion, the Asselin filter has little effect on the spatial phase lag of the physical mode for the leapfrog advection scheme of the three diffusion schemes considered.

Axi-symmetric generalized thermoelastic diffusion problem with two-temperature and initial stress under fractional order heat conduction

NASA Astrophysics Data System (ADS)

Deswal, Sunita; Kalkal, Kapil Kumar; Sheoran, Sandeep Singh

2016-09-01

A mathematical model of fractional order two-temperature generalized thermoelasticity with diffusion and initial stress is proposed to analyze the transient wave phenomenon in an infinite thermoelastic half-space. The governing equations are derived in cylindrical coordinates for a two dimensional axi-symmetric problem. The analytical solution is procured by employing the Laplace and Hankel transforms for time and space variables respectively. The solutions are investigated in detail for a time dependent heat source. By using numerical inversion method of integral transforms, we obtain the solutions for displacement, stress, temperature and diffusion fields in physical domain. Computations are carried out for copper material and displayed graphically. The effect of fractional order parameter, two-temperature parameter, diffusion, initial stress and time on the different thermoelastic and diffusion fields is analyzed on the basis of analytical and numerical results. Some special cases have also been deduced from the present investigation.

Unified Heat Kernel Regression for Diffusion, Kernel Smoothing and Wavelets on Manifolds and Its Application to Mandible Growth Modeling in CT Images

PubMed Central

Chung, Moo K.; Qiu, Anqi; Seo, Seongho; Vorperian, Houri K.

2014-01-01

We present a novel kernel regression framework for smoothing scalar surface data using the Laplace-Beltrami eigenfunctions. Starting with the heat kernel constructed from the eigenfunctions, we formulate a new bivariate kernel regression framework as a weighted eigenfunction expansion with the heat kernel as the weights. The new kernel regression is mathematically equivalent to isotropic heat diffusion, kernel smoothing and recently popular diffusion wavelets. Unlike many previous partial differential equation based approaches involving diffusion, our approach represents the solution of diffusion analytically, reducing numerical inaccuracy and slow convergence. The numerical implementation is validated on a unit sphere using spherical harmonics. As an illustration, we have applied the method in characterizing the localized growth pattern of mandible surfaces obtained in CT images from subjects between ages 0 and 20 years by regressing the length of displacement vectors with respect to the template surface. PMID:25791435

Silent inflow condition for turbulent boundary layers

NASA Astrophysics Data System (ADS)

Gloerfelt, X.; Robinet, J.-C.

2017-12-01

The generation of a turbulent inflow is a tricky problem. In the framework of aeroacoustics, another important constraint is that the numerical strategy used to reach a turbulent state induces a spurious noise which is lower than the acoustic field of interest. For the study of noise radiated directly by a turbulent boundary layer on a flat plate, this constraint is severe since wall turbulence is a very inefficient source. That is why a method based on a transition by modal interaction using a base flow with an inflection point is proposed to cope with that. The base flow must be a solution of the equations so we use a profile behind a backward-facing step representative of experimental trip bands. A triad of resonant waves is selected by a local stability analysis of the linearized compressible equations and is added with a weak amplitude in the inlet plane. The compressible stability calculation allows the specification of the thermodynamic quantities at the inlet, which turns out to be fundamental to ensure a quiet inflow. A smooth transition is achieved with the rapid formation of Λ -shape vortices in a staggered organization as in subharmonic transition. The dominance of oblique waves promotes a rapid breakdown by the liftup mechanism of low-speed streaks. The quality of the fully turbulent state is assessed and the direct noise radiation from a turbulent boundary layer at Mach 0.5 is obtained with a very low level of spurious noise.

Anisotropic diffusion in mesh-free numerical magnetohydrodynamics

NASA Astrophysics Data System (ADS)

Hopkins, Philip F.

2017-04-01

We extend recently developed mesh-free Lagrangian methods for numerical magnetohydrodynamics (MHD) to arbitrary anisotropic diffusion equations, including: passive scalar diffusion, Spitzer-Braginskii conduction and viscosity, cosmic ray diffusion/streaming, anisotropic radiation transport, non-ideal MHD (Ohmic resistivity, ambipolar diffusion, the Hall effect) and turbulent 'eddy diffusion'. We study these as implemented in the code GIZMO for both new meshless finite-volume Godunov schemes (MFM/MFV). We show that the MFM/MFV methods are accurate and stable even with noisy fields and irregular particle arrangements, and recover the correct behaviour even in arbitrarily anisotropic cases. They are competitive with state-of-the-art AMR/moving-mesh methods, and can correctly treat anisotropic diffusion-driven instabilities (e.g. the MTI and HBI, Hall MRI). We also develop a new scheme for stabilizing anisotropic tensor-valued fluxes with high-order gradient estimators and non-linear flux limiters, which is trivially generalized to AMR/moving-mesh codes. We also present applications of some of these improvements for SPH, in the form of a new integral-Godunov SPH formulation that adopts a moving-least squares gradient estimator and introduces a flux-limited Riemann problem between particles.

Detailed numerical investigation of the Bohm limit in cosmic ray diffusion theory

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

Hussein, M.; Shalchi, A., E-mail: m_hussein@physics.umanitoba.ca, E-mail: andreasm4@yahoo.com

2014-04-10

A standard model in cosmic ray diffusion theory is the so-called Bohm limit in which the particle mean free path is assumed to be equal to the Larmor radius. This type of diffusion is often employed to model the propagation and acceleration of energetic particles. However, recent analytical and numerical work has shown that standard Bohm diffusion is not realistic. In the present paper, we perform test-particle simulations to explore particle diffusion in the strong turbulence limit in which the wave field is much stronger than the mean magnetic field. We show that there is indeed a lower limit ofmore » the particle mean free path along the mean field. In this limit, the mean free path is directly proportional to the unperturbed Larmor radius like in the traditional Bohm limit, but it is reduced by the factor δB/B {sub 0} where B {sub 0} is the mean field and δB the turbulent field. Although we focus on parallel diffusion, we also explore diffusion across the mean field in the strong turbulence limit.« less

Vertical and horizontal resolution dependency in the model representation of tracer dispersion along the continental slope in the northern Gulf of Mexico

NASA Astrophysics Data System (ADS)

Bracco, Annalisa; Choi, Jun; Kurian, Jaison; Chang, Ping

2018-02-01

A set of nine regional ocean model simulations at various horizontal (from 1 to 9 km) and vertical (from 25 to 150 layers) resolutions with different vertical mixing parameterizations is carried out to examine the transport and mixing of a passive tracer released near the ocean bottom over the continental slope in the northern Gulf of Mexico. The release location is in proximity to the Deepwater Horizon oil well that ruptured in April 2010. Horizontal and diapycnal diffusivities are calculated and their dependence on the model set-up and on the representation of mesoscale and submesoscale circulations is discussed. Horizontal and vertical resolutions play a comparable role in determining the modeled horizontal diffusivities. Vertical resolution is key to a proper representation of passive tracer propagation and - in the case of the Gulf of Mexico - contributes to both confining the tracer along the continental slope and limiting its vertical spreading. The choice of the tracer advection scheme is also important, with positive definiteness in the tracer concentration being achieved at the price of spurious mixing across density surfaces. In all cases, however, the diapycnal mixing coefficient derived from the model simulations overestimates the observed value, indicating an area where model improvement is needed.

On a new functional form for the dispersive flux in porous media

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

Tompson, A.F.B.

A recently developed second-order model for local dispersive transport in porous media has been simplified to yield a new, closed-form relationship for the dispersive flux. In situations characterized by negligible velocity gradients, the flux can generally be represented as a convolution or memory integral over time of previous concentration gradients. The strength of this memory is controlled by an exponential weighting factor related to the magnitudes of the velocity and local molecular diffusive flux. The form of this result is consistent with other models of diffusive and dispersive transport phenomena over various spatial scales. In circumstances where the memory strengthmore » is small, the integral can be simplified and cast in the form of a standard Fickian relationship with apparent time-dependent dispersivity functions that grow to finite, asymptotic values. This specific formulation can be manipulated to yield a one-equation transport balance law in the form of a telegraph equation. Nonphysical effects, such as spurious upstream dispersion and instantaneous propagation of mass to extremely distant points predicted with a Fickian law, are reduced or eliminated. Although the importance of the new result in transport simulations will depend on the spatial and temporal scales of interest, it should provide some insight in the interpretation and design of new experiments.« less

Convective drying of osmo-dehydrated apple slices: kinetics and spatial behavior of effective mass diffusivity and moisture content

NASA Astrophysics Data System (ADS)

de Farias Aires, Juarez Everton; da Silva, Wilton Pereira; de Almeida Farias Aires, Kalina Lígia Cavalcante; da Silva Júnior, Aluízio Freire; da Silva e Silva, Cleide Maria Diniz Pereira

2018-04-01

The main objective of this study is the presentation of a numerical model of liquid diffusion for the description of the convective drying of apple slices submitted to pretreatment of osmotic dehydration able of predicting the spatial distribution of effective mass diffusivity values in apple slabs. Two models that use numerical solutions of the two-dimensional diffusion equation in Cartesian coordinates with the boundary condition of third kind were proposed to describe drying. The first one does not consider the shrinkage of the product and assumes that the process parameters remain constant along the convective drying. The second one considers the shrinkage of the product and assumes that the effective mass diffusivity of water varies according to the local value of the water content in the apple samples. Process parameters were estimated from experimental data through an optimizer coupled to the numerical solutions. The osmotic pretreatment did not reduce the drying time in relation to the fresh fruits when the drying temperature was equal to 40 °C. The use of the temperature of 60 °C led to a reduction in the drying time. The model that considers the variations in the dimensions of the product and the variation in the effective mass diffusivity proved to be more adequate to describe the process.

Long-range correlations in time series generated by time-fractional diffusion: A numerical study

NASA Astrophysics Data System (ADS)

Barbieri, Davide; Vivoli, Alessandro

2005-09-01

Time series models showing power law tails in autocorrelation functions are common in econometrics. A special non-Markovian model for such kind of time series is provided by the random walk introduced by Gorenflo et al. as a discretization of time fractional diffusion. The time series so obtained are analyzed here from a numerical point of view in terms of autocorrelations and covariance matrices.

CONDIF - A modified central-difference scheme for convective flows

NASA Technical Reports Server (NTRS)

Runchal, Akshai K.

1987-01-01

The paper presents a method, called CONDIF, which modifies the CDS (central-difference scheme) by introducing a controlled amount of numerical diffusion based on the local gradients. The numerical diffusion can be adjusted to be negligibly low for most problems. CONDIF results are significantly more accurate than those obtained from the hybrid scheme when the Peclet number is very high and the flow is at large angles to the grid.

Polarization Calibration of the Chromospheric Lyman-Alpha SpectroPolarimeter for a 0.1% Polarization Sensitivity in the VUV Range. Part II: In-Flight Calibration

NASA Astrophysics Data System (ADS)

Giono, G.; Ishikawa, R.; Narukage, N.; Kano, R.; Katsukawa, Y.; Kubo, M.; Ishikawa, S.; Bando, T.; Hara, H.; Suematsu, Y.; Winebarger, A.; Kobayashi, K.; Auchère, F.; Trujillo Bueno, J.; Tsuneta, S.; Shimizu, T.; Sakao, T.; Cirtain, J.; Champey, P.; Asensio Ramos, A.; Štěpán, J.; Belluzzi, L.; Manso Sainz, R.; De Pontieu, B.; Ichimoto, K.; Carlsson, M.; Casini, R.; Goto, M.

2017-04-01

The Chromospheric Lyman-Alpha SpectroPolarimeter is a sounding rocket instrument designed to measure for the first time the linear polarization of the hydrogen Lyman-{α} line (121.6 nm). The instrument was successfully launched on 3 September 2015 and observations were conducted at the solar disc center and close to the limb during the five-minutes flight. In this article, the disc center observations are used to provide an in-flight calibration of the instrument spurious polarization. The derived in-flight spurious polarization is consistent with the spurious polarization levels determined during the pre-flight calibration and a statistical analysis of the polarization fluctuations from solar origin is conducted to ensure a 0.014% precision on the spurious polarization. The combination of the pre-flight and the in-flight polarization calibrations provides a complete picture of the instrument response matrix, and a proper error transfer method is used to confirm the achieved polarization accuracy. As a result, the unprecedented 0.1% polarization accuracy of the instrument in the vacuum ultraviolet is ensured by the polarization calibration.

A quantitative evaluation of spurious results in the infrared spectroscopic measurement of CO2 isotope ratios

NASA Astrophysics Data System (ADS)

Mansfield, C. D.; Rutt, H. N.

2002-02-01

The possible generation of spurious results, arising from the application of infrared spectroscopic techniques to the measurement of carbon isotope ratios in breath, due to coincident absorption bands has been re-examined. An earlier investigation, which approached the problem qualitatively, fulfilled its aspirations in providing an unambiguous assurance that 13C16O2/12C16O2 ratios can be confidently measured for isotopic breath tests using instruments based on infrared absorption. Although this conclusion still stands, subsequent quantitative investigation has revealed an important exception that necessitates a strict adherence to sample collection protocol. The results show that concentrations and decay rates of the coincident breath trace compounds acetonitrile and carbon monoxide, found in the breath sample of a heavy smoker, can produce spurious results. Hence, findings from this investigation justify the concern that breath trace compounds present a risk to the accurate measurement of carbon isotope ratios in breath when using broadband, non-dispersive, ground state absorption infrared spectroscopy. It provides recommendations on the length of smoking abstention required to avoid generation of spurious results and also reaffirms, through quantitative argument, the validity of using infrared absorption spectroscopy to measure CO2 isotope ratios in breath.

Reproducibility of Illumina platform deep sequencing errors allows accurate determination of DNA barcodes in cells.

PubMed

Beltman, Joost B; Urbanus, Jos; Velds, Arno; van Rooij, Nienke; Rohr, Jan C; Naik, Shalin H; Schumacher, Ton N

2016-04-02

Next generation sequencing (NGS) of amplified DNA is a powerful tool to describe genetic heterogeneity within cell populations that can both be used to investigate the clonal structure of cell populations and to perform genetic lineage tracing. For applications in which both abundant and rare sequences are biologically relevant, the relatively high error rate of NGS techniques complicates data analysis, as it is difficult to distinguish rare true sequences from spurious sequences that are generated by PCR or sequencing errors. This issue, for instance, applies to cellular barcoding strategies that aim to follow the amount and type of offspring of single cells, by supplying these with unique heritable DNA tags. Here, we use genetic barcoding data from the Illumina HiSeq platform to show that straightforward read threshold-based filtering of data is typically insufficient to filter out spurious barcodes. Importantly, we demonstrate that specific sequencing errors occur at an approximately constant rate across different samples that are sequenced in parallel. We exploit this observation by developing a novel approach to filter out spurious sequences. Application of our new method demonstrates its value in the identification of true sequences amongst spurious sequences in biological data sets.

Modeling the sound transmission between rooms coupled through partition walls by using a diffusion model.

PubMed

Billon, Alexis; Foy, Cédric; Picaut, Judicaël; Valeau, Vincent; Sakout, Anas

2008-06-01

In this paper, a modification of the diffusion model for room acoustics is proposed to account for sound transmission between two rooms, a source room and an adjacent room, which are coupled through a partition wall. A system of two diffusion equations, one for each room, together with a set of two boundary conditions, one for the partition wall and one for the other walls of a room, is obtained and numerically solved. The modified diffusion model is validated by numerical comparisons with the statistical theory for several coupled-room configurations by varying the coupling area surface, the absorption coefficient of each room, and the volume of the adjacent room. An experimental comparison is also carried out for two coupled classrooms. The modified diffusion model results agree very well with both the statistical theory and the experimental data. The diffusion model can then be used as an alternative to the statistical theory, especially when the statistical theory is not applicable, that is, when the reverberant sound field is not diffuse. Moreover, the diffusion model allows the prediction of the spatial distribution of sound energy within each coupled room, while the statistical theory gives only one sound level for each room.

A Hyperbolic Solver for Black Hole Initial Data in Numerical Relativity

NASA Astrophysics Data System (ADS)

Babiuc, Maria

2016-03-01

Numerical relativity is essential to the efforts of detecting gravitational waves emitted at the inspiral and merger of binary black holes. The first requirement for the generation of reliable gravitational wave templates is an accurate method of constructing initial data (ID). The standard approach is to solve the constraint equations for general relativity by formulating them as an elliptic system. A shortcoming of the ID constructed this way is an initial burst of spurious unphysical radiation (junk radiation). Recently, Racz and Winicour formulated the constraints as a hyperbolic problem, requiring boundary conditions only on a large sphere surrounding the system, where the physical behavior of the gravitational field is well understood. We investigate the applicability of this new approach, by developing a new 4th order numerical code that implements the fully nonlinear constraints equations on a two dimensional stereographic foliation, and evolves them radially inward using a Runge-Kutta integrator. The tensorial quantities are written as spin-weighted fields and the angular derivatives are replaced with ``eth'' operators. We present here results for the simulation of nonlinear perturbations to Schwarzschild ID in Kerr-Schild coordinates. The code shows stability and convergence at both large and small radii. Our long-term goal is to develop this new approach into a numerical scheme for generating ID for binary black holes and to analyze its performance in eliminating the junk radiation.

An AMR capable finite element diffusion solver for ALE hydrocodes [An AMR capable diffusion solver for ALE-AMR

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

Fisher, A. C.; Bailey, D. S.; Kaiser, T. B.

2015-02-01

Here, we present a novel method for the solution of the diffusion equation on a composite AMR mesh. This approach is suitable for including diffusion based physics modules to hydrocodes that support ALE and AMR capabilities. To illustrate, we proffer our implementations of diffusion based radiation transport and heat conduction in a hydrocode called ALE-AMR. Numerical experiments conducted with the diffusion solver and associated physics packages yield 2nd order convergence in the L 2 norm.

Three FORTRAN programs for finite-difference solutions to binary diffusion in one and two phases with composition-and time-dependent diffusion coefficients

USGS Publications Warehouse

Sanford, R.F.

1982-01-01

Geological examples of binary diffusion are numerous. They are potential indicators of the duration and rates of geological processes. Analytical solutions to the diffusion equations generally do not allow for variable diffusion coefficients, changing boundary conditions, and impingement of diffusion fields. The three programs presented here are based on Crank-Nicholson finite-difference approximations, which can take into account these complicating factors. Program 1 describes the diffusion of a component into an initially homogeneous phase that has a constant surface composition. Specifically it is written for Fe-Mg exchange in olivine at oxygen fugacities appropriate for the lunar crust, but other components, phases, or fugacities may be substituted by changing the values of the diffusion coefficient. Program 2 simulates the growth of exsolution lamellae. Program 3 describes the growth of reaction rims. These two programs are written for pseudobinary Ca-(Mg, Fe) exchange in pyroxenes. In all three programs, the diffusion coefficients and boundary conditions can be varied systematically with time. To enable users to employ widely different numerical values for diffusion coefficients and diffusion distance, the grid spacing in the space dimension and the increment by which the grid spacing in the time dimension is increased at each time step are input constants that can be varied each time the programs are run to yield a solution of the desired accuracy. ?? 1982.

Numerical solution of the time fractional reaction-diffusion equation with a moving boundary

NASA Astrophysics Data System (ADS)

Zheng, Minling; Liu, Fawang; Liu, Qingxia; Burrage, Kevin; Simpson, Matthew J.

2017-06-01

A fractional reaction-diffusion model with a moving boundary is presented in this paper. An efficient numerical method is constructed to solve this moving boundary problem. Our method makes use of a finite difference approximation for the temporal discretization, and spectral approximation for the spatial discretization. The stability and convergence of the method is studied, and the errors of both the semi-discrete and fully-discrete schemes are derived. Numerical examples, motivated by problems from developmental biology, show a good agreement with the theoretical analysis and illustrate the efficiency of our method.

Finite-time robust passive control for a class of switched reaction-diffusion stochastic complex dynamical networks with coupling delays and impulsive control

NASA Astrophysics Data System (ADS)

Syed Ali, M.; Yogambigai, J.; Kwon, O. M.

2018-03-01

Finite-time boundedness and finite-time passivity for a class of switched stochastic complex dynamical networks (CDNs) with coupling delays, parameter uncertainties, reaction-diffusion term and impulsive control are studied. Novel finite-time synchronisation criteria are derived based on passivity theory. This paper proposes a CDN consisting of N linearly and diffusively coupled identical reaction- diffusion neural networks. By constructing of a suitable Lyapunov-Krasovskii's functional and utilisation of Jensen's inequality and Wirtinger's inequality, new finite-time passivity criteria for the networks are established in terms of linear matrix inequalities (LMIs), which can be checked numerically using the effective LMI toolbox in MATLAB. Finally, two interesting numerical examples are given to show the effectiveness of the theoretical results.

The effect of a realistic thermal diffusivity on numerical model of a subducting slab

NASA Astrophysics Data System (ADS)

Maierova, P.; Steinle-Neumann, G.; Cadek, O.

2010-12-01

A number of numerical studies of subducting slab assume simplified (constant or only depth-dependent) models of thermal conductivity. The available mineral physics data indicate, however, that thermal diffusivity is strongly temperature- and pressure-dependent and may also vary among different mantle materials. In the present study, we examine the influence of realistic thermal properties of mantle materials on the thermal state of the upper mantle and the dynamics of subducting slabs. On the basis of the data published in mineral physics literature we compile analytical relationships that approximate the pressure and temperature dependence of thermal diffusivity for major mineral phases of the mantle (olivine, wadsleyite, ringwoodite, garnet, clinopyroxenes, stishovite and perovskite). We propose a simplified composition of mineral assemblages predominating in the subducting slab and the surrounding mantle (pyrolite, mid-ocean ridge basalt, harzburgite) and we estimate their thermal diffusivity using the Hashin-Shtrikman bounds. The resulting complex formula for the diffusivity of each aggregate is then approximated by a simpler analytical relationship that is used in our numerical model as an input parameter. For the numerical modeling we use the Elmer software (open source finite element software for multiphysical problems, see http://www.csc.fi/english/pages/elmer). We set up a 2D Cartesian thermo-mechanical steady-state model of a subducting slab. The model is partly kinematic as the flow is driven by a boundary condition on velocity that is prescribed on the top of the subducting lithospheric plate. Reology of the material is non-linear and is coupled with the thermal equation. Using the realistic relationship for thermal diffusivity of mantle materials, we compute the thermal and flow fields for different input velocity and age of the subducting plate and we compare the results against the models assuming a constant thermal diffusivity. The importance of the realistic description of thermal properties in models of subducted slabs is discussed.

Elimination of Spurious Fractional Charges in Dissociating Molecules by Correcting the Shape of Approximate Kohn-Sham Potentials.

PubMed

Komsa, Darya N; Staroverov, Viktor N

2016-11-08

Standard density-functional approximations often incorrectly predict that heteronuclear diatomic molecules dissociate into fractionally charged atoms. We demonstrate that these spurious charges can be eliminated by adapting the shape-correction method for Kohn-Sham potentials that was originally introduced to improve Rydberg excitation energies [ Phys. Rev. Lett. 2012 , 108 , 253005 ]. Specifically, we show that if a suitably determined fraction of electron charge is added to or removed from a frontier Kohn-Sham orbital level, the approximate Kohn-Sham potential of a stretched molecule self-corrects by developing a semblance of step structure; if this potential is used to obtain the electron density of the neutral molecule, charge delocalization is blocked and spurious fractional charges disappear beyond a certain internuclear distance.

Spurious cross-frequency amplitude-amplitude coupling in nonstationary, nonlinear signals

NASA Astrophysics Data System (ADS)

Yeh, Chien-Hung; Lo, Men-Tzung; Hu, Kun

2016-07-01

Recent studies of brain activities show that cross-frequency coupling (CFC) plays an important role in memory and learning. Many measures have been proposed to investigate the CFC phenomenon, including the correlation between the amplitude envelopes of two brain waves at different frequencies - cross-frequency amplitude-amplitude coupling (AAC). In this short communication, we describe how nonstationary, nonlinear oscillatory signals may produce spurious cross-frequency AAC. Utilizing the empirical mode decomposition, we also propose a new method for assessment of AAC that can potentially reduce the effects of nonlinearity and nonstationarity and, thus, help to avoid the detection of artificial AACs. We compare the performances of this new method and the traditional Fourier-based AAC method. We also discuss the strategies to identify potential spurious AACs.

Random element method for numerical modeling of diffusional processes

NASA Technical Reports Server (NTRS)

Ghoniem, A. F.; Oppenheim, A. K.

1982-01-01

The random element method is a generalization of the random vortex method that was developed for the numerical modeling of momentum transport processes as expressed in terms of the Navier-Stokes equations. The method is based on the concept that random walk, as exemplified by Brownian motion, is the stochastic manifestation of diffusional processes. The algorithm based on this method is grid-free and does not require the diffusion equation to be discritized over a mesh, it is thus devoid of numerical diffusion associated with finite difference methods. Moreover, the algorithm is self-adaptive in space and explicit in time, resulting in an improved numerical resolution of gradients as well as a simple and efficient computational procedure. The method is applied here to an assortment of problems of diffusion of momentum and energy in one-dimension as well as heat conduction in two-dimensions in order to assess its validity and accuracy. The numerical solutions obtained are found to be in good agreement with exact solution except for a statistical error introduced by using a finite number of elements, the error can be reduced by increasing the number of elements or by using ensemble averaging over a number of solutions.

Magnetic field line random walk in models and simulations of reduced magnetohydrodynamic turbulence

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

Snodin, A. P.; Ruffolo, D.; Oughton, S.

2013-12-10

The random walk of magnetic field lines is examined numerically and analytically in the context of reduced magnetohydrodynamic (RMHD) turbulence, which provides a useful description of plasmas dominated by a strong mean field, such as in the solar corona. A recently developed non-perturbative theory of magnetic field line diffusion is compared with the diffusion coefficients obtained by accurate numerical tracing of magnetic field lines for both synthetic models and direct numerical simulations of RMHD. Statistical analysis of an ensemble of trajectories confirms the applicability of the theory, which very closely matches the numerical field line diffusion coefficient as a functionmore » of distance z along the mean magnetic field for a wide range of the Kubo number R. This theory employs Corrsin's independence hypothesis, sometimes thought to be valid only at low R. However, the results demonstrate that it works well up to R = 10, both for a synthetic RMHD model and an RMHD simulation. The numerical results from the RMHD simulation are compared with and without phase randomization, demonstrating a clear effect of coherent structures on the field line random walk for a very low Kubo number.« less

Efficient numerical simulation of non-integer-order space-fractional reaction-diffusion equation via the Riemann-Liouville operator

NASA Astrophysics Data System (ADS)

Owolabi, Kolade M.

2018-03-01

In this work, we are concerned with the solution of non-integer space-fractional reaction-diffusion equations with the Riemann-Liouville space-fractional derivative in high dimensions. We approximate the Riemann-Liouville derivative with the Fourier transform method and advance the resulting system in time with any time-stepping solver. In the numerical experiments, we expect the travelling wave to arise from the given initial condition on the computational domain (-∞, ∞), which we terminate in the numerical experiments with a large but truncated value of L. It is necessary to choose L large enough to allow the waves to have enough space to distribute. Experimental results in high dimensions on the space-fractional reaction-diffusion models with applications to biological models (Fisher and Allen-Cahn equations) are considered. Simulation results reveal that fractional reaction-diffusion equations can give rise to a range of physical phenomena when compared to non-integer-order cases. As a result, most meaningful and practical situations are found to be modelled with the concept of fractional calculus.

Modeling Morphogenesis with Reaction-Diffusion Equations Using Galerkin Spectral Methods

DTIC Science & Technology

2002-05-06

reaction- diffusion equation is a difficult problem in analysis that will not be addressed here. Errors will also arise from numerically approx solutions to...the ODEs. When comparing the approximate solution to actual reaction- diffusion systems found in nature, we must also take into account errors that...

A novel improved method for analysis of 2D diffusion relaxation data—2D PARAFAC-Laplace decomposition

NASA Astrophysics Data System (ADS)

Tønning, Erik; Polders, Daniel; Callaghan, Paul T.; Engelsen, Søren B.

2007-09-01

This paper demonstrates how the multi-linear PARAFAC model can with advantage be used to decompose 2D diffusion-relaxation correlation NMR spectra prior to 2D-Laplace inversion to the T2- D domain. The decomposition is advantageous for better interpretation of the complex correlation maps as well as for the quantification of extracted T2- D components. To demonstrate the new method seventeen mixtures of wheat flour, starch, gluten, oil and water were prepared and measured with a 300 MHz nuclear magnetic resonance (NMR) spectrometer using a pulsed gradient stimulated echo (PGSTE) pulse sequence followed by a Carr-Purcell-Meiboom-Gill (CPMG) pulse echo train. By varying the gradient strength, 2D diffusion-relaxation data were recorded for each sample. From these double exponentially decaying relaxation data the PARAFAC algorithm extracted two unique diffusion-relaxation components, explaining 99.8% of the variation in the data set. These two components were subsequently transformed to the T2- D domain using 2D-inverse Laplace transformation and quantitatively assigned to the oil and water components of the samples. The oil component was one distinct distribution with peak intensity at D = 3 × 10 -12 m 2 s -1 and T2 = 180 ms. The water component consisted of two broad populations of water molecules with diffusion coefficients and relaxation times centered around correlation pairs: D = 10 -9 m 2 s -1, T2 = 10 ms and D = 3 × 10 -13 m 2 s -1, T2 = 13 ms. Small spurious peaks observed in the inverse Laplace transformation of original complex data were effectively filtered by the PARAFAC decomposition and thus considered artefacts from the complex Laplace transformation. The oil-to-water ratio determined by PARAFAC followed by 2D-Laplace inversion was perfectly correlated with known oil-to-water ratio of the samples. The new method of using PARAFAC prior to the 2D-Laplace inversion proved to have superior potential in analysis of diffusion-relaxation spectra, as it improves not only the interpretation, but also the quantification.

Effects of Lewis Number on Temperatures of Spherical Diffusion Flames

NASA Technical Reports Server (NTRS)

Santa, K. J.; Sun, Z.; Chao, B. H.; Sunderland, P. B.; Axelbaum, R. I.; Urban, D. L.; Stocker, D. P.

2007-01-01

Spherical diffusion flames supported on a porous sphere were studied numerically and experimentally. Experiments were performed in 2.2 s and 5.2 s microgravity facilities. Numerical results were obtained from a Chemkin-based program. The program simulates flow from a porous sphere into a quiescent environment, yields both steady-state and transient results, and accounts for optically thick gas-phase radiation. The low flow velocities and long residence times in these diffusion flames lead to enhanced radiative and diffusive effects. Despite similar adiabatic flame temperatures, the measured and predicted temperatures varied by as much as 700 K. The temperature reduction correlates with flame size but characteristic flow times and, importantly, Lewis number also influence temperature. The numerical results show that the ambient gas Lewis number would have a strong effect on flame temperature if the flames were steady and nonradiating. For example, a 10% decrease in Lewis number would increase the steady-state flame temperature by 200 K. However, for these transient, radiating flames the effect of Lewis number is small. Transient predictions of flame sizes are larger than those observed in microgravity experiments. Close agreement could not be obtained without either increasing the model s thermal and mass diffusion properties by 30% or reducing mass flow rate by 25%.

Toward uniform implementation of parametric map Digital Imaging and Communication in Medicine standard in multisite quantitative diffusion imaging studies.

PubMed

Malyarenko, Dariya; Fedorov, Andriy; Bell, Laura; Prah, Melissa; Hectors, Stefanie; Arlinghaus, Lori; Muzi, Mark; Solaiyappan, Meiyappan; Jacobs, Michael; Fung, Maggie; Shukla-Dave, Amita; McManus, Kevin; Boss, Michael; Taouli, Bachir; Yankeelov, Thomas E; Quarles, Christopher Chad; Schmainda, Kathleen; Chenevert, Thomas L; Newitt, David C

2018-01-01

This paper reports on results of a multisite collaborative project launched by the MRI subgroup of Quantitative Imaging Network to assess current capability and provide future guidelines for generating a standard parametric diffusion map Digital Imaging and Communication in Medicine (DICOM) in clinical trials that utilize quantitative diffusion-weighted imaging (DWI). Participating sites used a multivendor DWI DICOM dataset of a single phantom to generate parametric maps (PMs) of the apparent diffusion coefficient (ADC) based on two models. The results were evaluated for numerical consistency among models and true phantom ADC values, as well as for consistency of metadata with attributes required by the DICOM standards. This analysis identified missing metadata descriptive of the sources for detected numerical discrepancies among ADC models. Instead of the DICOM PM object, all sites stored ADC maps as DICOM MR objects, generally lacking designated attributes and coded terms for quantitative DWI modeling. Source-image reference, model parameters, ADC units and scale, deemed important for numerical consistency, were either missing or stored using nonstandard conventions. Guided by the identified limitations, the DICOM PM standard has been amended to include coded terms for the relevant diffusion models. Open-source software has been developed to support conversion of site-specific formats into the standard representation.

Multimodel analysis of anisotropic diffusive tracer-gas transport in a deep arid unsaturated zone

USGS Publications Warehouse

Green, Christopher T.; Walvoord, Michelle Ann; Andraski, Brian J.; Striegl, Robert G.; Stonestrom, David A.

2015-01-01

Gas transport in the unsaturated zone affects contaminant flux and remediation, interpretation of groundwater travel times from atmospheric tracers, and mass budgets of environmentally important gases. Although unsaturated zone transport of gases is commonly treated as dominated by diffusion, the characteristics of transport in deep layered sediments remain uncertain. In this study, we use a multimodel approach to analyze results of a gas-tracer (SF6) test to clarify characteristics of gas transport in deep unsaturated alluvium. Thirty-five separate models with distinct diffusivity structures were calibrated to the tracer-test data and were compared on the basis of Akaike Information Criteria estimates of posterior model probability. Models included analytical and numerical solutions. Analytical models provided estimates of bulk-scale apparent diffusivities at the scale of tens of meters. Numerical models provided information on local-scale diffusivities and feasible lithological features producing the observed tracer breakthrough curves. The combined approaches indicate significant anisotropy of bulk-scale diffusivity, likely associated with high-diffusivity layers. Both approaches indicated that diffusivities in some intervals were greater than expected from standard models relating porosity to diffusivity. High apparent diffusivities and anisotropic diffusivity structures were consistent with previous observations at the study site of rapid lateral transport and limited vertical spreading of gas-phase contaminants. Additional processes such as advective oscillations may be involved. These results indicate that gases in deep, layered unsaturated zone sediments can spread laterally more quickly, and produce higher peak concentrations, than predicted by homogeneous, isotropic diffusion models.

A numerical scheme for singularly perturbed reaction-diffusion problems with a negative shift via numerov method

NASA Astrophysics Data System (ADS)

Dinesh Kumar, S.; Nageshwar Rao, R.; Pramod Chakravarthy, P.

2017-11-01

In this paper, we consider a boundary value problem for a singularly perturbed delay differential equation of reaction-diffusion type. We construct an exponentially fitted numerical method using Numerov finite difference scheme, which resolves not only the boundary layers but also the interior layers arising from the delay term. An extensive amount of computational work has been carried out to demonstrate the applicability of the proposed method.

Computational modeling of mediator oxidation by oxygen in an amperometric glucose biosensor.

PubMed

Simelevičius, Dainius; Petrauskas, Karolis; Baronas, Romas; Razumienė, Julija

2014-02-07

In this paper, an amperometric glucose biosensor is modeled numerically. The model is based on non-stationary reaction-diffusion type equations. The model consists of four layers. An enzyme layer lies directly on a working electrode surface. The enzyme layer is attached to an electrode by a polyvinyl alcohol (PVA) coated terylene membrane. This membrane is modeled as a PVA layer and a terylene layer, which have different diffusivities. The fourth layer of the model is the diffusion layer, which is modeled using the Nernst approach. The system of partial differential equations is solved numerically using the finite difference technique. The operation of the biosensor was analyzed computationally with special emphasis on the biosensor response sensitivity to oxygen when the experiment was carried out in aerobic conditions. Particularly, numerical experiments show that the overall biosensor response sensitivity to oxygen is insignificant. The simulation results qualitatively explain and confirm the experimentally observed biosensor behavior.

Computational Modeling of Mediator Oxidation by Oxygen in an Amperometric Glucose Biosensor

PubMed Central

Šimelevičius, Dainius; Petrauskas, Karolis; Baronas, Romas; Julija, Razumienė

2014-01-01

In this paper, an amperometric glucose biosensor is modeled numerically. The model is based on non-stationary reaction-diffusion type equations. The model consists of four layers. An enzyme layer lies directly on a working electrode surface. The enzyme layer is attached to an electrode by a polyvinyl alcohol (PVA) coated terylene membrane. This membrane is modeled as a PVA layer and a terylene layer, which have different diffusivities. The fourth layer of the model is the diffusion layer, which is modeled using the Nernst approach. The system of partial differential equations is solved numerically using the finite difference technique. The operation of the biosensor was analyzed computationally with special emphasis on the biosensor response sensitivity to oxygen when the experiment was carried out in aerobic conditions. Particularly, numerical experiments show that the overall biosensor response sensitivity to oxygen is insignificant. The simulation results qualitatively explain and confirm the experimentally observed biosensor behavior. PMID:24514882

Numerical convergence of the self-diffusion coefficient and viscosity obtained with Thomas-Fermi-Dirac molecular dynamics.

PubMed

Danel, J-F; Kazandjian, L; Zérah, G

2012-06-01

Computations of the self-diffusion coefficient and viscosity in warm dense matter are presented with an emphasis on obtaining numerical convergence and a careful evaluation of the standard deviation. The transport coefficients are computed with the Green-Kubo relation and orbital-free molecular dynamics at the Thomas-Fermi-Dirac level. The numerical parameters are varied until the Green-Kubo integral is equal to a constant in the t→+∞ limit; the transport coefficients are deduced from this constant and not by extrapolation of the Green-Kubo integral. The latter method, which gives rise to an unknown error, is tested for the computation of viscosity; it appears that it should be used with caution. In the large domain of coupling constant considered, both the self-diffusion coefficient and viscosity turn out to be well approximated by simple analytical laws using a single effective atomic number calculated in the average-atom model.

Numerical convergence of the self-diffusion coefficient and viscosity obtained with Thomas-Fermi-Dirac molecular dynamics

NASA Astrophysics Data System (ADS)

Danel, J.-F.; Kazandjian, L.; Zérah, G.

2012-06-01

Computations of the self-diffusion coefficient and viscosity in warm dense matter are presented with an emphasis on obtaining numerical convergence and a careful evaluation of the standard deviation. The transport coefficients are computed with the Green-Kubo relation and orbital-free molecular dynamics at the Thomas-Fermi-Dirac level. The numerical parameters are varied until the Green-Kubo integral is equal to a constant in the t→+∞ limit; the transport coefficients are deduced from this constant and not by extrapolation of the Green-Kubo integral. The latter method, which gives rise to an unknown error, is tested for the computation of viscosity; it appears that it should be used with caution. In the large domain of coupling constant considered, both the self-diffusion coefficient and viscosity turn out to be well approximated by simple analytical laws using a single effective atomic number calculated in the average-atom model.

Solving of the coefficient inverse problems for a nonlinear singularly perturbed reaction-diffusion-advection equation with the final time data

NASA Astrophysics Data System (ADS)

Lukyanenko, D. V.; Shishlenin, M. A.; Volkov, V. T.

2018-01-01

We propose the numerical method for solving coefficient inverse problem for a nonlinear singularly perturbed reaction-diffusion-advection equation with the final time observation data based on the asymptotic analysis and the gradient method. Asymptotic analysis allows us to extract a priory information about interior layer (moving front), which appears in the direct problem, and boundary layers, which appear in the conjugate problem. We describe and implement the method of constructing a dynamically adapted mesh based on this a priory information. The dynamically adapted mesh significantly reduces the complexity of the numerical calculations and improve the numerical stability in comparison with the usual approaches. Numerical example shows the effectiveness of the proposed method.

Parameter estimation in IMEX-trigonometrically fitted methods for the numerical solution of reaction-diffusion problems

NASA Astrophysics Data System (ADS)

D'Ambrosio, Raffaele; Moccaldi, Martina; Paternoster, Beatrice

2018-05-01

In this paper, an adapted numerical scheme for reaction-diffusion problems generating periodic wavefronts is introduced. Adapted numerical methods for such evolutionary problems are specially tuned to follow prescribed qualitative behaviors of the solutions, making the numerical scheme more accurate and efficient as compared with traditional schemes already known in the literature. Adaptation through the so-called exponential fitting technique leads to methods whose coefficients depend on unknown parameters related to the dynamics and aimed to be numerically computed. Here we propose a strategy for a cheap and accurate estimation of such parameters, which consists essentially in minimizing the leading term of the local truncation error whose expression is provided in a rigorous accuracy analysis. In particular, the presented estimation technique has been applied to a numerical scheme based on combining an adapted finite difference discretization in space with an implicit-explicit time discretization. Numerical experiments confirming the effectiveness of the approach are also provided.

Preanalytic process linked to spuriously elevated HIV viral loads: improvement on an FDA-approved process.

PubMed

Procop, Gary W; Taege, Alan J; Starkey, Colleen; Tungsiripat, Marisa; Warner, Diane; Schold, Jesse D; Yen-Lieberman, Belinda

2017-09-01

The processing of specimens often occurs in a central processing area within laboratories. We demonstrated that plasma centrifuged in the central laboratory but allowed to remain within the primary tube following centrifugation was associated with spuriously elevated HIV viral loads compared with recentrifugation of the plasma just prior to testing. Copyright © 2016 Elsevier Inc. All rights reserved.

The origin and reduction of spurious extrahepatic counts observed in 90Y non-TOF PET imaging post radioembolization

NASA Astrophysics Data System (ADS)

Walrand, Stephan; Hesse, Michel; Jamar, François; Lhommel, Renaud

2018-04-01

Our literature survey revealed a physical effect unknown to the nuclear medicine community, i.e. internal bremsstrahlung emission, and also the existence of long energy resolution tails in crystal scintillation. None of these effects has ever been modelled in PET Monte Carlo (MC) simulations. This study investigates whether these two effects could be at the origin of two unexplained observations in 90Y imaging by PET: the increasing tails in the radial profile of true coincidences, and the presence of spurious extrahepatic counts post radioembolization in non-TOF PET and their absence in TOF PET. These spurious extrahepatic counts hamper the microsphere delivery check in liver radioembolization. An acquisition of a 32P vial was performed on a GSO PET system. This is the ideal setup to study the impact of bremsstrahlung x-rays on the true coincidence rate when no positron emission and no crystal radioactivity are present. A MC simulation of the acquisition was performed using Gate-Geant4. MC simulations of non-TOF PET and TOF-PET imaging of a synthetic 90Y human liver radioembolization phantom were also performed. Internal bremsstrahlung and long energy resolution tails inclusion in MC simulations quantitatively predict the increasing tails in the radial profile. In addition, internal bremsstrahlung explains the discrepancy previously observed in bremsstrahlung SPECT between the measure of the 90Y bremsstrahlung spectrum and its simulation with Gate-Geant4. However the spurious extrahepatic counts in non-TOF PET mainly result from the failure of conventional random correction methods in such low count rate studies and poor robustness versus emission-transmission inconsistency. A novel proposed random correction method succeeds in cleaning the spurious extrahepatic counts in non-TOF PET. Two physical effects not considered up to now in nuclear medicine were identified to be at the origin of the unusual 90Y true coincidences radial profile. TOF reconstruction removing of the spurious extrahepatic counts was theoretically explained by a better robustness against emission-transmission inconsistency. A novel random correction method was proposed to overcome the issue in non-TOF PET. Further studies are needed to assess the novel random correction method robustness.

Numerical study of a high-speed miniature centrifugal compressor

NASA Astrophysics Data System (ADS)

Li, Xiaoyi

A miniature centrifugal compressor is a key component of reverse Brayton cycle cryogenic cooling system. The system is commonly used to generate a low cryogenic temperature environment for electronics to increase their efficiency, or generate, store and transport cryogenic liquids, such as liquid hydrogen and oxygen, where space limit is also an issue. Because of space limitation, the compressor is composed of a radial IGV, a radial impeller and an axial-direction diffuser (which reduces the radial size because of smaller diameter). As a result of reduction in size, rotating speed of the impeller is as high as 313,000 rpm, and Helium is used as the working fluid, in order to obtain the required static pressure ratio/rise. Two main characteristics of the compressor---miniature and high-speed, make it distinct from conventional compressors. Higher compressor efficiency is required to obtain a higher COP (coefficient of performance) system. Even though miniature centrifugal compressors start to draw researchers' attention in recent years, understanding of the performance and loss mechanism is still lacking. Since current experimental techniques are not advanced enough to capture details of flow at miniature scale, numerical methods dominate miniature turbomachinery study. This work numerically studied a high speed miniature centrifugal compressor with commercial CFD code. The overall performance of the compressor was predicted with consideration of interaction between blade rows by using sliding mesh model. The law of similarity of turbomachinery was validated for small scale machines. It was found that the specific ratio effect needs to be considered when similarity law is applied. But Reynolds number effect can be neglected. The loss mechanism of each component was analyzed. Loss due to turning bend was significant in each component. Tip leakage loss of small scale turbomachines has more impact on the impeller performance than that of large scale ones. Because the splitter was located at downstream of the impeller leading edge, any incidence at the impeller leading edge could deteriorate the splitter performance. Therefore, the impeller with twenty blades had, higher isentropic efficiency than the impeller with ten blades and ten splitters. Based on numerical study, a four-row vaned diffuser replaced a two-row vaned diffuser. It was found that the four-row vaned diffuser had much higher pressure recovery coefficient than the two-row vaned diffuser. However, most of pressure numerically is found to be recovered at the first two rows of diffuser vanes. Consequently, the following suggestions were given to further improve the performance of the miniature centrifugal compressor. (1) Redesign inlet guide vane based on the numerical simulation and experimental results. (2) Add de-swirl vanes in front of the diffuser and before the bend. (3) Replace the current impeller with a twenty-blade impeller. (4) Remove the last two rows of diffuser.

Hydrodynamic theory of diffusion in two-temperature multicomponent plasmas

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

Ramshaw, J.D.; Chang, C.H.

Detailed numerical simulations of multicomponent plasmas require tractable expressions for species diffusion fluxes, which must be consistent with the given plasma current density J{sub q} to preserve local charge neutrality. The common situation in which J{sub q} = 0 is referred to as ambipolar diffusion. The use of formal kinetic theory in this context leads to results of formidable complexity. We derive simple tractable approximations for the diffusion fluxes in two-temperature multicomponent plasmas by means of a generalization of the hydrodynamical approach used by Maxwell, Stefan, Furry, and Williams. The resulting diffusion fluxes obey generalized Stefan-Maxwell equations that contain drivingmore » forces corresponding to ordinary, forced, pressure, and thermal diffusion. The ordinary diffusion fluxes are driven by gradients in pressure fractions rather than mole fractions. Simplifications due to the small electron mass are systematically exploited and lead to a general expression for the ambipolar electric field in the limit of infinite electrical conductivity. We present a self-consistent effective binary diffusion approximation for the diffusion fluxes. This approximation is well suited to numerical implementation and is currently in use in our LAVA computer code for simulating multicomponent thermal plasmas. Applications to date include a successful simulation of demixing effects in an argon-helium plasma jet, for which selected computational results are presented. Generalizations of the diffusion theory to finite electrical conductivity and nonzero magnetic field are currently in progress.« less

Effects of radial diffuser hydraulic design on a double-suction centrifugal pump

NASA Astrophysics Data System (ADS)

Hou, H. C.; Zhang, Y. X.; Xu, C.; Zhang, J. Y.; Li, Z. L.

2016-05-01

In order to study effects of radial diffuser on hydraulic performance of crude oil pump, the steady CFD numerical method is applied and one large double-suction oil pump running in long-distance pipeline is considered. The research focuses on analysing the influence of its diffuser vane profile on hydraulic performance of oil pump. The four different types of cylindrical vane have been designed by in-house codes mainly including double arcs (DA), triple arcs (TA), equiangular spiral line (ES) and linear variable angle spiral line (LVS). During design process diffuser vane angles at inlet and outlet are tentatively given within a certain range and then the wrapping angle of the four types of diffuser vanes can be calculated automatically. Under the given inlet and outlet angles, the linear variable angle spiral line profile has the biggest wrapping angle and profile length which is good to delay channel diffusion but bring more friction hydraulic loss. Finally the vane camber line is thickened at the certain uniform thickness distribution and the 3D diffuser models are generated. The whole flow passage of oil pump with different types of diffusers under various flow rate conditions are numerically simulated based on RNG k-ɛ turbulent model and SIMPLEC algorithm. The numerical results show that different types of diffusers can bring about great difference on the hydraulic performance of oil pump, of which the ES profile diffuser with its proper setting angle shows the best hydraulic performance and its inner flow field is improved obviously. Compared with the head data from model sample, all designed diffusers can make a certain improvement on head characteristic. At the large flow rate conditions the hydraulic efficiency increases obviously and the best efficiency point shift to the large flow rate range. The ES profile diffuser embodies the better advantages on pump performance which can be explained theoretically that the diffuser actually acts as a diffusion device and is good to transform the dynamic energy to pressure energy. Then through the hydraulic loss analysis of each pump component for all diffusers, it shows that the impeller takes up the biggest part of the whole loss about 8.19% averagely, the radial diffuser about 3.70% and the volute about 1.65%. The hydraulic loss of impeller is dominant at the large flow rate while the radial diffuser is at the small flow rate. Among all diffusers, the ES profile diffuser generates the least loss and combined to the distribution of velocity vector and turbulent kinetic energy for two kinds of diffusers it also shows that ES profile is fit to apply in radial diffuser. This research can offer a significant reference for the radial diffuser hydraulic design of such centrifugal pumps.

Numerical modeling and optimization of the Iguassu gas centrifuge

NASA Astrophysics Data System (ADS)

Bogovalov, S. V.; Borman, V. D.; Borisevich, V. D.; Tronin, V. N.; Tronin, I. V.

2017-07-01

The full procedure of the numerical calculation of the optimized parameters of the Iguassu gas centrifuge (GC) is under discussion. The procedure consists of a few steps. On the first step the problem of a hydrodynamical flow of the gas in the rotating rotor of the GC is solved numerically. On the second step the problem of diffusion of the binary mixture of isotopes is solved. The separation power of the gas centrifuge is calculated after that. On the last step the time consuming procedure of optimization of the GC is performed providing us the maximum of the separation power. The optimization is based on the BOBYQA method exploring the results of numerical simulations of the hydrodynamics and diffusion of the mixture of isotopes. Fast convergence of calculations is achieved due to exploring of a direct solver at the solution of the hydrodynamical and diffusion parts of the problem. Optimized separative power and optimal internal parameters of the Iguassu GC with 1 m rotor were calculated using the developed approach. Optimization procedure converges in 45 iterations taking 811 minutes.

Numerical modeling of coupled variably saturated fluid flow and reactive transport with fast and slow chemical reactions

NASA Astrophysics Data System (ADS)

Yeh, Gour-Tsyh (George); Siegel, Malcolm D.; Li, Ming-Hsu

2001-02-01

The couplings among chemical reaction rates, advective and diffusive transport in fractured media or soils, and changes in hydraulic properties due to precipitation and dissolution within fractures and in rock matrix are important for both nuclear waste disposal and remediation of contaminated sites. This paper describes the development and application of LEHGC2.0, a mechanistically based numerical model for simulation of coupled fluid flow and reactive chemical transport, including both fast and slow reactions in variably saturated media. Theoretical bases and numerical implementations are summarized, and two example problems are demonstrated. The first example deals with the effect of precipitation/dissolution on fluid flow and matrix diffusion in a two-dimensional fractured media. Because of the precipitation and decreased diffusion of solute from the fracture into the matrix, retardation in the fractured medium is not as large as the case wherein interactions between chemical reactions and transport are not considered. The second example focuses on a complicated but realistic advective-dispersive-reactive transport problem. This example exemplifies the need for innovative numerical algorithms to solve problems involving stiff geochemical reactions.

Confidence set inference with a prior quadratic bound

NASA Technical Reports Server (NTRS)

Backus, George E.

1989-01-01

In the uniqueness part of a geophysical inverse problem, the observer wants to predict all likely values of P unknown numerical properties z=(z sub 1,...,z sub p) of the earth from measurement of D other numerical properties y (sup 0) = (y (sub 1) (sup 0), ..., y (sub D (sup 0)), using full or partial knowledge of the statistical distribution of the random errors in y (sup 0). The data space Y containing y(sup 0) is D-dimensional, so when the model space X is infinite-dimensional the linear uniqueness problem usually is insoluble without prior information about the correct earth model x. If that information is a quadratic bound on x, Bayesian inference (BI) and stochastic inversion (SI) inject spurious structure into x, implied by neither the data nor the quadratic bound. Confidence set inference (CSI) provides an alternative inversion technique free of this objection. Confidence set inference is illustrated in the problem of estimating the geomagnetic field B at the core-mantle boundary (CMB) from components of B measured on or above the earth's surface.

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

Field, Scott E.; Hesthaven, Jan S.; Lau, Stephen R.

In the context of metric perturbation theory for nonspinning black holes, extreme mass ratio binary systems are described by distributionally forced master wave equations. Numerical solution of a master wave equation as an initial boundary value problem requires initial data. However, because the correct initial data for generic-orbit systems is unknown, specification of trivial initial data is a common choice, despite being inconsistent and resulting in a solution which is initially discontinuous in time. As is well known, this choice leads to a burst of junk radiation which eventually propagates off the computational domain. We observe another potential consequence ofmore » trivial initial data: development of a persistent spurious solution, here referred to as the Jost junk solution, which contaminates the physical solution for long times. This work studies the influence of both types of junk on metric perturbations, waveforms, and self-force measurements, and it demonstrates that smooth modified source terms mollify the Jost solution and reduce junk radiation. Our concluding section discusses the applicability of these observations to other numerical schemes and techniques used to solve distributionally forced master wave equations.« less

A numerical model of two-phase flow at the micro-scale using the volume-of-fluid method

NASA Astrophysics Data System (ADS)

Shams, Mosayeb; Raeini, Ali Q.; Blunt, Martin J.; Bijeljic, Branko

2018-03-01

This study presents a simple and robust numerical scheme to model two-phase flow in porous media where capillary forces dominate over viscous effects. The volume-of-fluid method is employed to capture the fluid-fluid interface whose dynamics is explicitly described based on a finite volume discretization of the Navier-Stokes equations. Interfacial forces are calculated directly on reconstructed interface elements such that the total curvature is preserved. The computed interfacial forces are explicitly added to the Navier-Stokes equations using a sharp formulation which effectively eliminates spurious currents. The stability and accuracy of the implemented scheme is validated on several two- and three-dimensional test cases, which indicate the capability of the method to model two-phase flow processes at the micro-scale. In particular we show how the co-current flow of two viscous fluids leads to greatly enhanced flow conductance for the wetting phase in corners of the pore space, compared to a case where the non-wetting phase is an inviscid gas.

Towards a standardized method to assess straylight in earth observing optical instruments

NASA Astrophysics Data System (ADS)

Caron, J.; Taccola, M.; Bézy, J.-L.

2017-09-01

Straylight is a spurious effect that can seriously degrade the radiometric accuracy achieved by Earth observing optical instruments, as a result of the high contrast in the observed Earth radiance scenes and spectra. It is considered critical for several ESA missions such as Sentinel-5, FLEX and potential successors to CarbonSat. Although it is traditionally evaluated by Monte-Carlo simulations performed with commercial softwares (e.g. ASAP, Zemax, LightTools), semi-analytical approximate methods [1,2] have drawn some interest in recent years due to their faster computing time and the greater insight they provide in straylight mechanisms. They cannot replace numerical simulations, but may be more advantageous in contexts where many iterations are needed, for instance during the early phases of an instrument design.

The construction of high-accuracy schemes for acoustic equations

NASA Technical Reports Server (NTRS)

Tang, Lei; Baeder, James D.

1995-01-01

An accuracy analysis of various high order schemes is performed from an interpolation point of view. The analysis indicates that classical high order finite difference schemes, which use polynomial interpolation, hold high accuracy only at nodes and are therefore not suitable for time-dependent problems. Thus, some schemes improve their numerical accuracy within grid cells by the near-minimax approximation method, but their practical significance is degraded by maintaining the same stencil as classical schemes. One-step methods in space discretization, which use piecewise polynomial interpolation and involve data at only two points, can generate a uniform accuracy over the whole grid cell and avoid spurious roots. As a result, they are more accurate and efficient than multistep methods. In particular, the Cubic-Interpolated Psuedoparticle (CIP) scheme is recommended for computational acoustics.

Estimating statistical isotropy violation in CMB due to non-circular beam and complex scan in minutes

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

Pant, Nidhi; Das, Santanu; Mitra, Sanjit

Mild, unavoidable deviations from circular-symmetry of instrumental beams along with scan strategy can give rise to measurable Statistical Isotropy (SI) violation in Cosmic Microwave Background (CMB) experiments. If not accounted properly, this spurious signal can complicate the extraction of other SI violation signals (if any) in the data. However, estimation of this effect through exact numerical simulation is computationally intensive and time consuming. A generalized analytical formalism not only provides a quick way of estimating this signal, but also gives a detailed understanding connecting the leading beam anisotropy components to a measurable BipoSH characterisation of SI violation. In this paper,more » we provide an approximate generic analytical method for estimating the SI violation generated due to a non-circular (NC) beam and arbitrary scan strategy, in terms of the Bipolar Spherical Harmonic (BipoSH) spectra. Our analytical method can predict almost all the features introduced by a NC beam in a complex scan and thus reduces the need for extensive numerical simulation worth tens of thousands of CPU hours into minutes long calculations. As an illustrative example, we use WMAP beams and scanning strategy to demonstrate the easability, usability and efficiency of our method. We test all our analytical results against that from exact numerical simulations.« less

A mixed finite-element method for solving the poroelastic Biot equations with electrokinetic coupling

NASA Astrophysics Data System (ADS)

Pain, C. C.; Saunders, J. H.; Worthington, M. H.; Singer, J. M.; Stuart-Bruges, W.; Mason, G.; Goddard, A.

2005-02-01

In this paper, a numerical method for solving the Biot poroelastic equations is developed. These equations comprise acoustic (typically water) and elastic (porous medium frame) equations, which are coupled mainly through fluid/solid drag terms. This wave solution is coupled to a simplified form of Maxwell's equations, which is solved for the streaming potential resulting from electrokinesis. The ultimate aim is to use the generated electrical signals to provide porosity, permeability and other information about the formation surrounding a borehole. The electrical signals are generated through electrokinesis by seismic waves causing movement of the fluid through pores or fractures of a porous medium. The focus of this paper is the numerical solution of the Biot equations in displacement form, which is achieved using a mixed finite-element formulation with a different finite-element representation for displacements and stresses. The mixed formulation is used in order to reduce spurious displacement modes and fluid shear waves in the numerical solutions. These equations are solved in the time domain using an implicit unconditionally stable time-stepping method using iterative solution methods amenable to solving large systems of equations. The resulting model is embodied in the MODELLING OF ACOUSTICS, POROELASTICS AND ELECTROKINETICS (MAPEK) computer model for electroseismic analysis.

A quantitative trait locus mixture model that avoids spurious LOD score peaks.

PubMed Central

Feenstra, Bjarke; Skovgaard, Ib M

2004-01-01

In standard interval mapping of quantitative trait loci (QTL), the QTL effect is described by a normal mixture model. At any given location in the genome, the evidence of a putative QTL is measured by the likelihood ratio of the mixture model compared to a single normal distribution (the LOD score). This approach can occasionally produce spurious LOD score peaks in regions of low genotype information (e.g., widely spaced markers), especially if the phenotype distribution deviates markedly from a normal distribution. Such peaks are not indicative of a QTL effect; rather, they are caused by the fact that a mixture of normals always produces a better fit than a single normal distribution. In this study, a mixture model for QTL mapping that avoids the problems of such spurious LOD score peaks is presented. PMID:15238544

A quantitative trait locus mixture model that avoids spurious LOD score peaks.

PubMed

Feenstra, Bjarke; Skovgaard, Ib M

2004-06-01

In standard interval mapping of quantitative trait loci (QTL), the QTL effect is described by a normal mixture model. At any given location in the genome, the evidence of a putative QTL is measured by the likelihood ratio of the mixture model compared to a single normal distribution (the LOD score). This approach can occasionally produce spurious LOD score peaks in regions of low genotype information (e.g., widely spaced markers), especially if the phenotype distribution deviates markedly from a normal distribution. Such peaks are not indicative of a QTL effect; rather, they are caused by the fact that a mixture of normals always produces a better fit than a single normal distribution. In this study, a mixture model for QTL mapping that avoids the problems of such spurious LOD score peaks is presented.

A Possible Method for the Discrimination of Spurious Events in Scintillation Chambers--Preliminary Results. Note No. 215; UN POSSIBILE METODO PER LA DISCRIMINAZIONE DI EVENTI SPURI IN CAMERA A SCINTILLE--RISULTATI PRELIMINARI

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

Habel, R.; Letardi, T.

1963-10-30

In some studies with scintillation chambers, the problem of discriminating between the events generated by one or more ionizing particles and a spontaneous shower between the gaps of the chamber is presented. One element of difference between the two events is the delay of the spurious scintillation with respect to that produced by passage of a particle. The use of a fast shutter whose open time is of the order of the delay would provide a possible method for the discrimination between true and spurious events. The experimental apparatus used and the types of measurements made to determine if suchmore » a shutter arrangement would be feasible are described. (J.S.R.)« less

Identification of a rare variant haemoglobin (Hb Sinai-Baltimore) causing spuriously low haemoglobin A(1c) values on ion exchange chromatography.

PubMed

Smith, Geoff; Murray, Heather; Brennan, Stephen O

2013-01-01

Commonly used methods for assay of haemoglobin A(1c) (HbA(1c)) are susceptible to interference from the presence of haemoglobin variants. In many systems, the common variants can be identified but scientists and pathologists must remain vigilant for more subtle variants that may result in spuriously high or low HbA(1c) values. It is clearly important to recognize these events whether HbA(1c) is being used as a monitoring tool or, as is increasingly the case, for diagnostic purposes. We report a patient with a rare haemoglobin variant (Hb Sinai-Baltimore) that resulted in spuriously low values of HbA(1c) when assayed using ion exchange chromatography, and the steps taken to elucidate the nature of the variant.

Dissociative diffusion mechanism in vacancy-rich materials according to mass action kinetics

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

Biderman, N. J.; Sundaramoorthy, R.; Haldar, Pradeep

We conducted two sets of diffusion-reaction numerical simulations using a finite difference method (FDM) in order to investigate fast impurity diffusion via interstitial sites in vacancy-rich materials such as Cu(In,Ga)Se 2 (CIGS) and Cu 2ZnSn(S, Se) 4 (CZTSSe or CZTS) via the dissociative diffusion mechanism where the interstitial diffuser ultimately reacts with a vacancy to produce a substitutional. The first set of simulations extends the standard interstitial-limited dissociative diffusion theory to vacancy-rich material conditions where vacancies are annihilated in large amounts, introducing non-equilibrium vacancy concentration profiles. The second simulation set explores the vacancy-limited dissociative diffusion where impurity incorporation increases themore » equilibrium vacancy concentration. In addition to diffusion profiles of varying concentrations and shapes that were obtained in all simulations, some of the profiles can be fitted with the constant- and limited-source solutions of Fick’s second law despite the non-equilibrium condition induced by the interstitial-vacancy reaction. The first set of simulations reveals that the dissociative diffusion coefficient in vacancy-rich materials is inversely proportional to the initial vacancy concentration. In the second set of numerical simulations, impurity-induced changes in the vacancy concentration lead to distinctive diffusion profile shapes. The simulation results are also compared with published data of impurity diffusion in CIGS. And according to the characteristic properties of diffusion profiles from the two set of simulations, experimental detection of the dissociative diffusion mechanism in vacancy-rich materials may be possible.« less

Dissociative diffusion mechanism in vacancy-rich materials according to mass action kinetics

DOE PAGES

Biderman, N. J.; Sundaramoorthy, R.; Haldar, Pradeep; ...

2016-05-13

We conducted two sets of diffusion-reaction numerical simulations using a finite difference method (FDM) in order to investigate fast impurity diffusion via interstitial sites in vacancy-rich materials such as Cu(In,Ga)Se 2 (CIGS) and Cu 2ZnSn(S, Se) 4 (CZTSSe or CZTS) via the dissociative diffusion mechanism where the interstitial diffuser ultimately reacts with a vacancy to produce a substitutional. The first set of simulations extends the standard interstitial-limited dissociative diffusion theory to vacancy-rich material conditions where vacancies are annihilated in large amounts, introducing non-equilibrium vacancy concentration profiles. The second simulation set explores the vacancy-limited dissociative diffusion where impurity incorporation increases themore » equilibrium vacancy concentration. In addition to diffusion profiles of varying concentrations and shapes that were obtained in all simulations, some of the profiles can be fitted with the constant- and limited-source solutions of Fick’s second law despite the non-equilibrium condition induced by the interstitial-vacancy reaction. The first set of simulations reveals that the dissociative diffusion coefficient in vacancy-rich materials is inversely proportional to the initial vacancy concentration. In the second set of numerical simulations, impurity-induced changes in the vacancy concentration lead to distinctive diffusion profile shapes. The simulation results are also compared with published data of impurity diffusion in CIGS. And according to the characteristic properties of diffusion profiles from the two set of simulations, experimental detection of the dissociative diffusion mechanism in vacancy-rich materials may be possible.« less

Role of Rayleigh numbers on characteristics of double diffusive salt fingers

NASA Astrophysics Data System (ADS)

Rehman, F.; Singh, O. P.

2018-05-01

Double diffusion convection, driven by two constituents of the fluid with different molecular diffusivity, is widely applied in oceanography and large number of other fields like astrophysics, geology, chemistry and metallurgy. In case of ocean, heat (T) and salinity (S) are the two components with varying diffusivity, where heat diffuses hundred times faster than salt. Component (T) stabilizes the system whereas components (S) destabilizes the system with overall density remains stable and forms the rising and sinking fingers known as salt fingers. Recent observations suggest that salt finger characteristics such as growth rates, wavenumber, and fluxes are strongly depending on the Rayleigh numbers as major driving force. In this paper, we corroborate this observation with the help of experiments, numerical simulations and linear theory. An eigenvalue expression for growth rate is derived from the linearized governing equations with explicit dependence on Rayleigh numbers, density stability ratio, Prandtl number and diffusivity ratio. Expressions for fastest growing fingers are also derived as a function various non-dimensional parameter. The predicted results corroborate well with the data reported from the field measurements, experiments and numerical simulations.

Experimental investigation and numerical simulation of 3He gas diffusion in simple geometries: implications for analytical models of 3He MR lung morphometry.

PubMed

Parra-Robles, J; Ajraoui, S; Deppe, M H; Parnell, S R; Wild, J M

2010-06-01

Models of lung acinar geometry have been proposed to analytically describe the diffusion of (3)He in the lung (as measured with pulsed gradient spin echo (PGSE) methods) as a possible means of characterizing lung microstructure from measurement of the (3)He ADC. In this work, major limitations in these analytical models are highlighted in simple diffusion weighted experiments with (3)He in cylindrical models of known geometry. The findings are substantiated with numerical simulations based on the same geometry using finite difference representation of the Bloch-Torrey equation. The validity of the existing "cylinder model" is discussed in terms of the physical diffusion regimes experienced and the basic reliance of the cylinder model and other ADC-based approaches on a Gaussian diffusion behaviour is highlighted. The results presented here demonstrate that physical assumptions of the cylinder model are not valid for large diffusion gradient strengths (above approximately 15 mT/m), which are commonly used for (3)He ADC measurements in human lungs. (c) 2010 Elsevier Inc. All rights reserved.

A deterministic Lagrangian particle separation-based method for advective-diffusion problems

NASA Astrophysics Data System (ADS)

Wong, Ken T. M.; Lee, Joseph H. W.; Choi, K. W.

2008-12-01

A simple and robust Lagrangian particle scheme is proposed to solve the advective-diffusion transport problem. The scheme is based on relative diffusion concepts and simulates diffusion by regulating particle separation. This new approach generates a deterministic result and requires far less number of particles than the random walk method. For the advection process, particles are simply moved according to their velocity. The general scheme is mass conservative and is free from numerical diffusion. It can be applied to a wide variety of advective-diffusion problems, but is particularly suited for ecological and water quality modelling when definition of particle attributes (e.g., cell status for modelling algal blooms or red tides) is a necessity. The basic derivation, numerical stability and practical implementation of the NEighborhood Separation Technique (NEST) are presented. The accuracy of the method is demonstrated through a series of test cases which embrace realistic features of coastal environmental transport problems. Two field application examples on the tidal flushing of a fish farm and the dynamics of vertically migrating marine algae are also presented.

A numerical solution for the diffusion equation in hydrogeologic systems

USGS Publications Warehouse

Ishii, A.L.; Healy, R.W.; Striegl, Robert G.

1989-01-01

The documentation of a computer code for the numerical solution of the linear diffusion equation in one or two dimensions in Cartesian or cylindrical coordinates is presented. Applications of the program include molecular diffusion, heat conduction, and fluid flow in confined systems. The flow media may be anisotropic and heterogeneous. The model is formulated by replacing the continuous linear diffusion equation by discrete finite-difference approximations at each node in a block-centered grid. The resulting matrix equation is solved by the method of preconditioned conjugate gradients. The conjugate gradient method does not require the estimation of iteration parameters and is guaranteed convergent in the absence of rounding error. The matrixes are preconditioned to decrease the steps to convergence. The model allows the specification of any number of boundary conditions for any number of stress periods, and the output of a summary table for selected nodes showing flux and the concentration of the flux quantity for each time step. The model is written in a modular format for ease of modification. The model was verified by comparison of numerical and analytical solutions for cases of molecular diffusion, two-dimensional heat transfer, and axisymmetric radial saturated fluid flow. Application of the model to a hypothetical two-dimensional field situation of gas diffusion in the unsaturated zone is demonstrated. The input and output files are included as a check on program installation. The definition of variables, input requirements, flow chart, and program listing are included in the attachments. (USGS)

Numerical solution of the unsteady diffusion-convection-reaction equation based on improved spectral Galerkin method

NASA Astrophysics Data System (ADS)

Zhong, Jiaqi; Zeng, Cheng; Yuan, Yupeng; Zhang, Yuzhe; Zhang, Ye

2018-04-01

The aim of this paper is to present an explicit numerical algorithm based on improved spectral Galerkin method for solving the unsteady diffusion-convection-reaction equation. The principal characteristics of this approach give the explicit eigenvalues and eigenvectors based on the time-space separation method and boundary condition analysis. With the help of Fourier series and Galerkin truncation, we can obtain the finite-dimensional ordinary differential equations which facilitate the system analysis and controller design. By comparing with the finite element method, the numerical solutions are demonstrated via two examples. It is shown that the proposed method is effective.

Analysis of the discontinuous Galerkin method applied to the European option pricing problem

NASA Astrophysics Data System (ADS)

Hozman, J.

2013-12-01

In this paper we deal with a numerical solution of a one-dimensional Black-Scholes partial differential equation, an important scalar nonstationary linear convection-diffusion-reaction equation describing the pricing of European vanilla options. We present a derivation of the numerical scheme based on the space semidiscretization of the model problem by the discontinuous Galerkin method with nonsymmetric stabilization of diffusion terms and with the interior and boundary penalty. The main attention is paid to the investigation of a priori error estimates for the proposed scheme. The appended numerical experiments illustrate the theoretical results and the potency of the method, consequently.

Numerical and analytical assessment of radon diffusion in various media and potential of charcoal as radon detector

NASA Astrophysics Data System (ADS)

Rybalkin, Andrey

Numerical assessments of radon diffusion together with analytical estimates for short-time and long-time exposure were the first objective of this thesis with the goal to demonstrate how radon propagates in various media. Theoretical predictions were compared to numerical simulations, and obtained values of total radon activities inside each material match quite well with the analytical estimates. These estimates, for activated and nonactivated charcoal, were then used to evaluate the possibility of designing a charcoal system to be used as a radon detector. Another objective was to use nonactivated charcoal samples and measure the level of radon accumulation, and use these data to estimate radon diffusion and adsorption coefficients. The analytical approach was developed to estimate these values. Radon adsorption coefficient in nonactivated charcoal was found to be from 0.2 to 0.4 m3/kg. Radon diffusion coefficient for nonactivated charcoal is in the range of 1.2×10-11 to 5.1×10-10 m2/s in comparison to activated charcoal with adsorption coefficient of 4 m3/kg and diffusion coefficient of 1.43×10-9 m2/s. The third objective was to use GEANT4 numerical code to simulate decay of 238U series and 222Rn in an arbitrary soil sample. Based on that model, the goal was to provide a guideline for merging GEANT4 radioactive decay modeling with the diffusion of radon in a soil sample. It is known that radon can be used as an earthquake predictor by measuring its concentration in groundwater, or if possible, along the faults. Numerical simulations of radon migration by diffusion only were made to estimate how fast and how far radon can move along the fault strands. Among the known cases of successful correlations between radon concentration anomalies and earthquake are the 1966 Tashkent and 1976 Songpan-Pingwu earthquakes. Thus, an idea of radon monitoring along the Wasatch Fault, using system of activated/nonactivated charcoals together with solid state radon detectors is suggested in the thesis. Also, the use of neutron activation analysis for soil samples, collected along and away from Wasatch Fault, and looking for the trace elements can result in correlation with earthquakes, occurred in the past. This approach can be used for earthquake prediction in future.

Is parental knowledge of their adolescent offspring's whereabouts and peer associations spuriously associated with offspring delinquency?

PubMed

Lahey, Benjamin B; Van Hulle, Carol A; D'Onofrio, Brian M; Rodgers, Joseph Lee; Waldman, Irwin D

2008-08-01

Recent studies suggest that most of what parents know about their adolescent offspring's whereabouts and companions is the result of youth disclosure, rather than information gained through active parental monitoring. This raises the possibility that parental knowledge is spuriously correlated with youth delinquency solely because the most delinquent youth disclose the least information to parents (because they have the most to hide). We tested this spurious association hypothesis using prospective data on offspring of a nationally representative sample of US women, controlling demographic and contextual covariates. In separate analyses, greater parental knowledge of their offspring's peer associations at both 12-13 years and at 14-15 years was associated with lower odds of being in the top 1 standard deviation of youth-reported delinquency at 16-17 years, controlling for delinquency at the earlier ages. The extent to which parents set limits on activities with peers at 14-15 years did not mediate or moderate the association between parental knowledge and delinquency, but it did independently predict future delinquency among adolescents living in high-risk neighborhoods. This suggests that the association between parental knowledge and future delinquency is not solely spurious; rather parental knowledge and limit setting are both meaningful predictors of future delinquency.

[Automated hematology analysers and spurious counts Part 3. Haemoglobin, red blood cells, cell count and indices, reticulocytes].

PubMed

Godon, Alban; Genevieve, Franck; Marteau-Tessier, Anne; Zandecki, Marc

2012-01-01

Several situations lead to abnormal haemoglobin measurement or to abnormal red blood cells (RBC) counts, including hyperlipemias, agglutinins and cryoglobulins, haemolysis, or elevated white blood cells (WBC) counts. Mean (red) cell volume may be also subject to spurious determination, because of agglutinins (mainly cold), high blood glucose level, natremia, anticoagulants in excess and at times technological considerations. Abnormality related to one measured parameter eventually leads to abnormal calculated RBC indices: mean cell haemoglobin content is certainly the most important RBC parameter to consider, maybe as important as flags generated by the haematology analysers (HA) themselves. In many circumstances, several of the measured parameters from cell blood counts (CBC) may be altered, and the discovery of a spurious change on one parameter frequently means that the validity of other parameters should be considered. Sensitive flags allow now the identification of several spurious counts, but only the most sophisticated HA have optimal flagging, and simpler ones, especially those without any WBC differential scattergram, do not share the same capacity to detect abnormal results. Reticulocytes are integrated into the CBC in many HA, and several situations may lead to abnormal counts, including abnormal gating, interference with intraerythrocytic particles, erythroblastosis or high WBC counts.

Sources of spurious force oscillations from an immersed boundary method for moving-body problems

NASA Astrophysics Data System (ADS)

Lee, Jongho; Kim, Jungwoo; Choi, Haecheon; Yang, Kyung-Soo

2011-04-01

When a discrete-forcing immersed boundary method is applied to moving-body problems, it produces spurious force oscillations on a solid body. In the present study, we identify two sources of these force oscillations. One source is from the spatial discontinuity in the pressure across the immersed boundary when a grid point located inside a solid body becomes that of fluid with a body motion. The addition of mass source/sink together with momentum forcing proposed by Kim et al. [J. Kim, D. Kim, H. Choi, An immersed-boundary finite volume method for simulations of flow in complex geometries, Journal of Computational Physics 171 (2001) 132-150] reduces the spurious force oscillations by alleviating this pressure discontinuity. The other source is from the temporal discontinuity in the velocity at the grid points where fluid becomes solid with a body motion. The magnitude of velocity discontinuity decreases with decreasing the grid spacing near the immersed boundary. Four moving-body problems are simulated by varying the grid spacing at a fixed computational time step and at a constant CFL number, respectively. It is found that the spurious force oscillations decrease with decreasing the grid spacing and increasing the computational time step size, but they depend more on the grid spacing than on the computational time step size.

The effects of nutrient chemotaxis on bacterial aggregation patterns with non-linear degenerate cross diffusion

NASA Astrophysics Data System (ADS)

Leyva, J. Francisco; Málaga, Carlos; Plaza, Ramón G.

2013-11-01

This paper studies a reaction-diffusion-chemotaxis model for bacterial aggregation patterns on the surface of thin agar plates. It is based on the non-linear degenerate cross diffusion model proposed by Kawasaki et al. (1997) [5] and it includes a suitable nutrient chemotactic term compatible with such type of diffusion, as suggested by Ben-Jacob et al. (2000) [20]. An asymptotic estimation predicts the growth velocity of the colony envelope as a function of both the nutrient concentration and the chemotactic sensitivity. It is shown that the growth velocity is an increasing function of the chemotactic sensitivity. High resolution numerical simulations using Graphic Processing Units (GPUs), which include noise in the diffusion coefficient for the bacteria, are presented. The numerical results verify that the chemotactic term enhances the velocity of propagation of the colony envelope. In addition, the chemotaxis seems to stabilize the formation of branches in the soft-agar, low-nutrient regime.

Experimental detection of long-distance interactions between biomolecules through their diffusion behavior: numerical study.

PubMed

Nardecchia, Ilaria; Spinelli, Lionel; Preto, Jordane; Gori, Matteo; Floriani, Elena; Jaeger, Sebastien; Ferrier, Pierre; Pettini, Marco

2014-08-01

The dynamical properties and diffusive behavior of a collection of mutually interacting particles are numerically investigated for two types of long-range interparticle interactions: Coulomb-electrostatic and dipole-electrodynamic. It is shown that when the particles are uniformly distributed throughout the accessible space, the self-diffusion coefficient is always lowered by the considered interparticle interactions, irrespective of their attractive or repulsive character. This fact is also confirmed by a simple model to compute the correction to the Brownian diffusion coefficient due to the interactions among the particles. These interactions are also responsible for the onset of dynamical chaos and an associated chaotic diffusion which still follows an Einstein-Fick-like law for the mean-square displacement as a function of time. Transitional phenomena are observed for Coulomb-electrostatic (repulsive) and dipole-electrodynamic (attractive) interactions considered both separately and in competition. The outcomes reported in this paper clearly indicate a feasible experimental method to probe the activation of resonant electrodynamic interactions among biomolecules.

The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion

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

Guo, Ran; Du, Jiulin, E-mail: jiulindu@aliyun.com

2015-08-15

We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalousmore » diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution.« less

Stochastic simulation of reaction-diffusion systems: A fluctuating-hydrodynamics approach

NASA Astrophysics Data System (ADS)

Kim, Changho; Nonaka, Andy; Bell, John B.; Garcia, Alejandro L.; Donev, Aleksandar

2017-03-01

We develop numerical methods for stochastic reaction-diffusion systems based on approaches used for fluctuating hydrodynamics (FHD). For hydrodynamic systems, the FHD formulation is formally described by stochastic partial differential equations (SPDEs). In the reaction-diffusion systems we consider, our model becomes similar to the reaction-diffusion master equation (RDME) description when our SPDEs are spatially discretized and reactions are modeled as a source term having Poisson fluctuations. However, unlike the RDME, which becomes prohibitively expensive for an increasing number of molecules, our FHD-based description naturally extends from the regime where fluctuations are strong, i.e., each mesoscopic cell has few (reactive) molecules, to regimes with moderate or weak fluctuations, and ultimately to the deterministic limit. By treating diffusion implicitly, we avoid the severe restriction on time step size that limits all methods based on explicit treatments of diffusion and construct numerical methods that are more efficient than RDME methods, without compromising accuracy. Guided by an analysis of the accuracy of the distribution of steady-state fluctuations for the linearized reaction-diffusion model, we construct several two-stage (predictor-corrector) schemes, where diffusion is treated using a stochastic Crank-Nicolson method, and reactions are handled by the stochastic simulation algorithm of Gillespie or a weakly second-order tau leaping method. We find that an implicit midpoint tau leaping scheme attains second-order weak accuracy in the linearized setting and gives an accurate and stable structure factor for a time step size of an order of magnitude larger than the hopping time scale of diffusing molecules. We study the numerical accuracy of our methods for the Schlögl reaction-diffusion model both in and out of thermodynamic equilibrium. We demonstrate and quantify the importance of thermodynamic fluctuations to the formation of a two-dimensional Turing-like pattern and examine the effect of fluctuations on three-dimensional chemical front propagation. By comparing stochastic simulations to deterministic reaction-diffusion simulations, we show that fluctuations accelerate pattern formation in spatially homogeneous systems and lead to a qualitatively different disordered pattern behind a traveling wave.

Stochastic simulation of reaction-diffusion systems: A fluctuating-hydrodynamics approach

DOE PAGES

Kim, Changho; Nonaka, Andy; Bell, John B.; ...

2017-03-24

Here, we develop numerical methods for stochastic reaction-diffusion systems based on approaches used for fluctuating hydrodynamics (FHD). For hydrodynamic systems, the FHD formulation is formally described by stochastic partial differential equations (SPDEs). In the reaction-diffusion systems we consider, our model becomes similar to the reaction-diffusion master equation (RDME) description when our SPDEs are spatially discretized and reactions are modeled as a source term having Poisson fluctuations. However, unlike the RDME, which becomes prohibitively expensive for an increasing number of molecules, our FHD-based description naturally extends from the regime where fluctuations are strong, i.e., each mesoscopic cell has few (reactive) molecules,more » to regimes with moderate or weak fluctuations, and ultimately to the deterministic limit. By treating diffusion implicitly, we avoid the severe restriction on time step size that limits all methods based on explicit treatments of diffusion and construct numerical methods that are more efficient than RDME methods, without compromising accuracy. Guided by an analysis of the accuracy of the distribution of steady-state fluctuations for the linearized reaction-diffusion model, we construct several two-stage (predictor-corrector) schemes, where diffusion is treated using a stochastic Crank-Nicolson method, and reactions are handled by the stochastic simulation algorithm of Gillespie or a weakly second-order tau leaping method. We find that an implicit midpoint tau leaping scheme attains second-order weak accuracy in the linearized setting and gives an accurate and stable structure factor for a time step size of an order of magnitude larger than the hopping time scale of diffusing molecules. We study the numerical accuracy of our methods for the Schlögl reaction-diffusion model both in and out of thermodynamic equilibrium. We demonstrate and quantify the importance of thermodynamic fluctuations to the formation of a two-dimensional Turing-like pattern and examine the effect of fluctuations on three-dimensional chemical front propagation. Furthermore, by comparing stochastic simulations to deterministic reaction-diffusion simulations, we show that fluctuations accelerate pattern formation in spatially homogeneous systems and lead to a qualitatively different disordered pattern behind a traveling wave.« less

Multispecies diffusion models: A study of uranyl species diffusion

NASA Astrophysics Data System (ADS)

Liu, Chongxuan; Shang, Jianying; Zachara, John M.

2011-12-01

Rigorous numerical description of multispecies diffusion requires coupling of species, charge, and aqueous and surface complexation reactions that collectively affect diffusive fluxes. The applicability of a fully coupled diffusion model is, however, often constrained by the availability of species self-diffusion coefficients, as well as by computational complication in imposing charge conservation. In this study, several diffusion models with variable complexity in charge and species coupling were formulated and compared to describe reactive multispecies diffusion in groundwater. Diffusion of uranyl [U(VI)] species was used as an example in demonstrating the effectiveness of the models in describing multispecies diffusion. Numerical simulations found that a diffusion model with a single, common diffusion coefficient for all species was sufficient to describe multispecies U(VI) diffusion under a steady state condition of major chemical composition, but not under transient chemical conditions. Simulations revealed that for multispecies U(VI) diffusion under transient chemical conditions, a fully coupled diffusion model could be well approximated by a component-based diffusion model when the diffusion coefficient for each chemical component was properly selected. The component-based diffusion model considers the difference in diffusion coefficients between chemical components, but not between the species within each chemical component. This treatment significantly enhanced computational efficiency at the expense of minor charge conservation. The charge balance in the component-based diffusion model can be enforced, if necessary, by adding a secondary migration term resulting from model simplification. The effect of ion activity coefficient gradients on multispecies diffusion is also discussed. The diffusion models were applied to describe U(VI) diffusive mass transfer in intragranular domains in two sediments collected from U.S. Department of Energy's Hanford 300A, where intragranular diffusion is a rate-limiting process controlling U(VI) adsorption and desorption. The grain-scale reactive diffusion model was able to describe U(VI) adsorption/desorption kinetics that had been previously described using a semiempirical, multirate model. Compared with the multirate model, the diffusion models have the advantage to provide spatiotemporal speciation evolution within the diffusion domains.

Putting atomic diffusion theory of magnetic ApBp stars to the test: evaluation of the predictions of time-dependent diffusion models

NASA Astrophysics Data System (ADS)

Kochukhov, O.; Ryabchikova, T. A.

2018-02-01

A series of recent theoretical atomic diffusion studies has address the challenging problem of predicting inhomogeneous vertical and horizontal chemical element distributions in the atmospheres of magnetic ApBp stars. Here we critically assess the most sophisticated of such diffusion models - based on a time-dependent treatment of the atomic diffusion in a magnetized stellar atmosphere - by direct comparison with observations as well by testing the widely used surface mapping tools with the spectral line profiles predicted by this theory. We show that the mean abundances of Fe and Cr are grossly underestimated by the time-dependent theoretical diffusion model, with discrepancies reaching a factor of 1000 for Cr. We also demonstrate that Doppler imaging inversion codes, based either on modelling of individual metal lines or line-averaged profiles simulated according to theoretical three-dimensional abundance distribution, are able to reconstruct correct horizontal chemical spot maps despite ignoring the vertical abundance variation. These numerical experiments justify a direct comparison of the empirical two-dimensional Doppler maps with theoretical diffusion calculations. This comparison is generally unfavourable for the current diffusion theory, as very few chemical elements are observed to form overabundance rings in the horizontal field regions as predicted by the theory and there are numerous examples of element accumulations in the vicinity of radial field zones, which cannot be explained by diffusion calculations.

Numerical modeling of HgCdTe solidification: Effects of phase diagram, double-diffusion convection and microgravity level

NASA Technical Reports Server (NTRS)

Bune, Andris V.; Gillies, Donald C.; Lehozky, Sandor L.

1997-01-01

A numerical model of HgCdTe solidification was implemented using finite the element code FIDAP. Model verification was done using both experimental data and numerical test problems. The model was used to evaluate possible effects of double-diffusion convection in molten material, and microgravity level on concentration distribution in the solidified HgCdTe. Particular attention was paid to incorporation of HgCdTe phase diagram. It was found, that below a critical microgravity amplitude, the maximum convective velocity in the melt appears virtually independent on the microgravity vector orientation. Good agreement between predicted interface shape and an interface obtained experimentally by quenching was achieved. The results of numerical modeling are presented in the form of video film.

A spectral tau algorithm based on Jacobi operational matrix for numerical solution of time fractional diffusion-wave equations

NASA Astrophysics Data System (ADS)

Bhrawy, A. H.; Doha, E. H.; Baleanu, D.; Ezz-Eldien, S. S.

2015-07-01

In this paper, an efficient and accurate spectral numerical method is presented for solving second-, fourth-order fractional diffusion-wave equations and fractional wave equations with damping. The proposed method is based on Jacobi tau spectral procedure together with the Jacobi operational matrix for fractional integrals, described in the Riemann-Liouville sense. The main characteristic behind this approach is to reduce such problems to those of solving systems of algebraic equations in the unknown expansion coefficients of the sought-for spectral approximations. The validity and effectiveness of the method are demonstrated by solving five numerical examples. Numerical examples are presented in the form of tables and graphs to make comparisons with the results obtained by other methods and with the exact solutions more easier.

Numerical investigation of rotating stall in centrifugal compressor with vaned and vaneless diffuser

NASA Astrophysics Data System (ADS)

Halawa, Taher; Alqaradawi, Mohamed; Gadala, Mohamed S.; Shahin, Ibrahim; Badr, Osama

2015-06-01

This study presents a numerical simulation of the stall and surge in a centrifugal compressor and presents a descriptionof the stall development in two different cases. The first case is for a compressor with vaneless diffuser and the second is for a compressor with vaned diffuser of the vane island shape. The main aim of this study is to compare the flow characteristics and behavior for the two compressors near the surge operating condition and provide further understanding of the diffuser role when back flow occurs at surge. Results showed that for a locationnear the diffuser entrance, the amplitude of the static pressure fluctuations for the vaneless diffuser case is higher than that for the vaned diffuser case near surge condition. These pressure fluctuations in the case of the vaneless diffuser appear with a gradual decrease of the mean pressure value as a part of the surge cycle. While for the case of the vaned diffuser, the pressure drop during surge occurs faster than the case of the vaneless diffuser. Also, results indicated that during surge in the case of vaneless diffuser, there is a region with low velocity and back flow that appears as a layer connecting all impeller passages near shroud surface and this layer develops in size with time. On the other hand, for the case of vaned diffuser during surge, the low velocity regions appear in random locations in some passages and these regions expand with time towards the shroud surface. Results showed that during stall, the impeller passages are exposed to identical impact from stall cells in the case of vaneless diffuser while the stall effect varies from passage to another in the case of the vaned diffuser.

Recent advances in computational-analytical integral transforms for convection-diffusion problems

NASA Astrophysics Data System (ADS)

Cotta, R. M.; Naveira-Cotta, C. P.; Knupp, D. C.; Zotin, J. L. Z.; Pontes, P. C.; Almeida, A. P.

2017-10-01

An unifying overview of the Generalized Integral Transform Technique (GITT) as a computational-analytical approach for solving convection-diffusion problems is presented. This work is aimed at bringing together some of the most recent developments on both accuracy and convergence improvements on this well-established hybrid numerical-analytical methodology for partial differential equations. Special emphasis is given to novel algorithm implementations, all directly connected to enhancing the eigenfunction expansion basis, such as a single domain reformulation strategy for handling complex geometries, an integral balance scheme in dealing with multiscale problems, the adoption of convective eigenvalue problems in formulations with significant convection effects, and the direct integral transformation of nonlinear convection-diffusion problems based on nonlinear eigenvalue problems. Then, selected examples are presented that illustrate the improvement achieved in each class of extension, in terms of convergence acceleration and accuracy gain, which are related to conjugated heat transfer in complex or multiscale microchannel-substrate geometries, multidimensional Burgers equation model, and diffusive metal extraction through polymeric hollow fiber membranes. Numerical results are reported for each application and, where appropriate, critically compared against the traditional GITT scheme without convergence enhancement schemes and commercial or dedicated purely numerical approaches.

Numerical solution of the electron transport equation

NASA Astrophysics Data System (ADS)

Woods, Mark

The electron transport equation has been solved many times for a variety of reasons. The main difficulty in its numerical solution is that it is a very stiff boundary value problem. The most common numerical methods for solving boundary value problems are symmetric collocation methods and shooting methods. Both of these types of methods can only be applied to the electron transport equation if the boundary conditions are altered with unrealistic assumptions because they require too many points to be practical. Further, they result in oscillating and negative solutions, which are physically meaningless for the problem at hand. For these reasons, all numerical methods for this problem to date are a bit unusual because they were designed to try and avoid the problem of extreme stiffness. This dissertation shows that there is no need to introduce spurious boundary conditions or invent other numerical methods for the electron transport equation. Rather, there already exists methods for very stiff boundary value problems within the numerical analysis literature. We demonstrate one such method in which the fast and slow modes of the boundary value problem are essentially decoupled. This allows for an upwind finite difference method to be applied to each mode as is appropriate. This greatly reduces the number of points needed in the mesh, and we demonstrate how this eliminates the need to define new boundary conditions. This method is verified by showing that under certain restrictive assumptions, the electron transport equation has an exact solution that can be written as an integral. We show that the solution from the upwind method agrees with the quadrature evaluation of the exact solution. This serves to verify that the upwind method is properly solving the electron transport equation. Further, it is demonstrated that the output of the upwind method can be used to compute auroral light emissions.

Joint approach for reducing eccentricity and spurious gravitational radiation in binary black hole initial data construction

NASA Astrophysics Data System (ADS)

Zhang, Fan; Szilágyi, Béla

2013-10-01

At the beginning of binary black hole simulations, there is a pulse of spurious radiation (or junk radiation) resulting from the initial data not matching astrophysical quasi-equilibrium inspiral exactly. One traditionally waits for the junk radiation to exit the computational domain before taking physical readings, at the expense of throwing away a segment of the evolution, and with the hope that junk radiation exits cleanly. We argue that this hope does not necessarily pan out, as junk radiation could excite long-lived constraint violation. Another complication with the initial data is that they contain orbital eccentricity that needs to be removed, usually by evolving the early part of the inspiral multiple times with gradually improved input parameters. We show that this procedure is also adversely impacted by junk radiation. In this paper, we do not attempt to eliminate junk radiation directly, but instead tackle the much simpler problem of ameliorating its long-lasting effects. We report on the success of a method that achieves this goal by combining the removal of junk radiation and eccentricity into a single procedure. Namely, we periodically stop a low resolution simulation; take the numerically evolved metric data and overlay it with eccentricity adjustments; run it through an initial data solver (i.e. the solver receives as free data the numerical output of the previous iteration); restart the simulation; repeat until eccentricity becomes sufficiently low; and then launch the high resolution “production run” simulation. This approach has the following benefits: (1) We do not have to contend with the influence of junk radiation on eccentricity measurements for later iterations of the eccentricity reduction procedure. (2) We reenforce constraints every time the initial data solver is invoked, removing the constraint violation excited by junk radiation previously. (3) The wasted simulation segment associated with the junk radiation’s evolution is absorbed into the eccentricity reduction iterations. Furthermore, (1) and (2) together allow us to carry out our joint-elimination procedure at low resolution, even when the subsequent “production run” is intended as a high resolution simulation.

Quantifying asymmetry: ratios and alternatives.

PubMed

Franks, Erin M; Cabo, Luis L

2014-08-01

Traditionally, the study of metric skeletal asymmetry has relied largely on univariate analyses, utilizing ratio transformations when the goal is comparing asymmetries in skeletal elements or populations of dissimilar dimensions. Under this approach, raw asymmetries are divided by a size marker, such as a bilateral average, in an attempt to produce size-free asymmetry indices. Henceforth, this will be referred to as "controlling for size" (see Smith: Curr Anthropol 46 (2005) 249-273). Ratios obtained in this manner often require further transformations to interpret the meaning and sources of asymmetry. This model frequently ignores the fundamental assumption of ratios: the relationship between the variables entered in the ratio must be isometric. Violations of this assumption can obscure existing asymmetries and render spurious results. In this study, we examined the performance of the classic indices in detecting and portraying the asymmetry patterns in four human appendicular bones and explored potential methodological alternatives. Examination of the ratio model revealed that it does not fulfill its intended goals in the bones examined, as the numerator and denominator are independent in all cases. The ratios also introduced strong biases in the comparisons between different elements and variables, generating spurious asymmetry patterns. Multivariate analyses strongly suggest that any transformation to control for overall size or variable range must be conducted before, rather than after, calculating the asymmetries. A combination of exploratory multivariate techniques, such as Principal Components Analysis, and confirmatory linear methods, such as regression and analysis of covariance, appear as a promising and powerful alternative to the use of ratios. © 2014 Wiley Periodicals, Inc.

Current Scenario of Spurious and Substandard Medicines in India: A Systematic Review

PubMed Central

Khan, A. N.; Khar, R. K.

2015-01-01

Globally, every country is the victim of substandard or spurious drugs, which result in life threatening issues, financial loss of consumer and manufacturer and loss in trust on health system. The aim of this enumerative review was to probe the extent on poor quality drugs with their consequences on public health and the preventive measures taken by the Indian pharmaceutical regulatory system. Government and non-government studies, literature and news were gathered from journals and authentic websites. All data from 2000 to 2013 were compiled and interpreted to reveal the real story of poor quality drugs in India. For minimizing spurious/falsely-labelled/falsified/counterfeit drugs or not of standard quality drugs, there is urgent requirement of more stringent regulation and legal action against the problem. However, India has taken some preventive steps in the country to fight against the poor quality drugs for protecting and promoting the public health. PMID:25767312

Comment: Spurious Correlation and Other Observations on Experimental Design for Engineering Dimensional Analysis

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

Piepel, Gregory F.

2013-08-01

This article discusses the paper "Experimental Design for Engineering Dimensional Analysis" by Albrecht et al. (2013, Technometrics). That paper provides and overview of engineering dimensional analysis (DA) for use in developing DA models. The paper proposes methods for generating model-robust experimental designs to supporting fitting DA models. The specific approach is to develop a design that maximizes the efficiency of a specified empirical model (EM) in the original independent variables, subject to a minimum efficiency for a DA model expressed in terms of dimensionless groups (DGs). This discussion article raises several issues and makes recommendations regarding the proposed approach. Also,more » the concept of spurious correlation is raised and discussed. Spurious correlation results from the response DG being calculated using several independent variables that are also used to calculate predictor DGs in the DA model.« less

Ordered delinquency: the "effects" of birth order on delinquency.

PubMed

Cundiff, Patrick R

2013-08-01

Juvenile delinquency has long been associated with birth order in popular culture. While images of the middle child acting out for attention or the rebellious youngest child readily spring to mind, little research has attempted to explain why. Drawing from Adlerian birth order theory and Sulloway's born-to-rebel hypothesis, I examine the relationship between birth order and a variety of delinquent outcomes during adolescence. Following some recent research on birth order and intelligence, I use new methods that allow for the examination of between-individual and within-family differences to better address the potential spurious relationship. My findings suggest that contrary to popular belief, the relationship between birth order and delinquency is spurious. Specifically, I find that birth order effects on delinquency are spurious and largely products of the analytic methods used in previous tests of the relationship. The implications of this finding are discussed.

Apodization of spurs in radar receivers using multi-channel processing

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

Doerry, Armin W.; Bickel, Douglas L.

The various technologies presented herein relate to identification and mitigation of spurious energies or signals (aka "spurs") in radar imaging. Spurious energy in received radar data can be a consequence of non-ideal component and circuit behavior. Such behavior can result from I/Q imbalance, nonlinear component behavior, additive interference (e.g. cross-talk, etc.), etc. The manifestation of the spurious energy in a radar image (e.g., a range-Doppler map) can be influenced by appropriate pulse-to-pulse phase modulation. Comparing multiple images which have been processed using the same data but of different signal paths and modulations enables identification of undesired spurs, with subsequent croppingmore » or apodization of the undesired spurs from a radar image. Spurs can be identified by comparison with a threshold energy. Removal of an undesired spur enables enhanced identification of true targets in a radar image.« less

The consentaneous model of the financial markets exhibiting spurious nature of long-range memory

NASA Astrophysics Data System (ADS)

Gontis, V.; Kononovicius, A.

2018-09-01

It is widely accepted that there is strong persistence in the volatility of financial time series. The origin of the observed persistence, or long-range memory, is still an open problem as the observed phenomenon could be a spurious effect. Earlier we have proposed the consentaneous model of the financial markets based on the non-linear stochastic differential equations. The consentaneous model successfully reproduces empirical probability and power spectral densities of volatility. This approach is qualitatively different from models built using fractional Brownian motion. In this contribution we investigate burst and inter-burst duration statistics of volatility in the financial markets employing the consentaneous model. Our analysis provides an evidence that empirical statistical properties of burst and inter-burst duration can be explained by non-linear stochastic differential equations driving the volatility in the financial markets. This serves as an strong argument that long-range memory in finance can have spurious nature.

Ordered Delinquency: The “Effects” of Birth Order On Delinquency

PubMed Central

Cundiff, Patrick R.

2014-01-01

Juvenile delinquency has long been associated with birth order in popular culture. While images of the middle child acting out for attention or the rebellious youngest child readily spring to mind, little research has attempted to explain why. Drawing from Adlerian birth order theory and Sulloway's born to rebel hypothesis I examine the relationship between birth order and a variety of delinquent outcomes during adolescence. Following some recent research on birth order and intelligence, I use new methods that allow for the examination of both between-individual and within-family differences to better address the potential spurious relationship. My findings suggest that contrary to popular belief the relationship between birth order and delinquency is spurious. Specifically, I find that birth order effects on delinquency are spurious and largely products of the analytic methods used in previous tests of the relationship. The implications of this finding are discussed. PMID:23719623

Suppression of Rayleigh wave spurious signal in ultra-wideband surface acoustic wave devices employing 0.67Pb(Mg1/3Nb2/3)O3-0.33PbTiO3 single crystals

NASA Astrophysics Data System (ADS)

Ji, Xiaojun; Xiao, Qiang; Chen, Jing; Wang, Hualei; Omori, Tatsuya; Changjun, Ahn

2017-05-01

The propagation characteristics of surface acoustic waves (SAWs) on rotated Y-cut X-propagating 0.67Pb(Mg1/3Nb2/3)O3-0.33PbTiO3(PMN-33%PT) substrate are theoretically analyzed. It is shown that besides the existence of a shear horizontal (SH) SAW with ultrahigh electromechanical coupling factor K2, a Rayleigh SAW also exists causing strong spurious response. The calculated results showed that the spurious Rayleigh SAW can be sufficiently suppressed by properly selecting electrode and its thickness with optimized rotating angle while maintaining large K2 of SH SAW. The fractional -3 dB bandwidth of 47% is achievable for the ladder type filter constructed by Au IDT/48oYX-PMN-33%PT resonators.

Enhancement of a 2D front-tracking algorithm with a non-uniform distribution of Lagrangian markers

NASA Astrophysics Data System (ADS)

Febres, Mijail; Legendre, Dominique

2018-04-01

The 2D front tracking method is enhanced to control the development of spurious velocities for non-uniform distributions of markers. The hybrid formulation of Shin et al. (2005) [7] is considered. A new tangent calculation is proposed for the calculation of the tension force at markers. A new reconstruction method is also proposed to manage non-uniform distributions of markers. We show that for both the static and the translating spherical drop test case the spurious currents are reduced to the machine precision. We also show that the ratio of the Lagrangian grid size Δs over the Eulerian grid size Δx has to satisfy Δs / Δx > 0.2 for ensuring such low level of spurious velocity. The method is found to provide very good agreement with benchmark test cases from the literature.

The arbitrary order mixed mimetic finite difference method for the diffusion equation

DOE PAGES

Gyrya, Vitaliy; Lipnikov, Konstantin; Manzini, Gianmarco

2016-05-01

Here, we propose an arbitrary-order accurate mimetic finite difference (MFD) method for the approximation of diffusion problems in mixed form on unstructured polygonal and polyhedral meshes. As usual in the mimetic numerical technology, the method satisfies local consistency and stability conditions, which determines the accuracy and the well-posedness of the resulting approximation. The method also requires the definition of a high-order discrete divergence operator that is the discrete analog of the divergence operator and is acting on the degrees of freedom. The new family of mimetic methods is proved theoretically to be convergent and optimal error estimates for flux andmore » scalar variable are derived from the convergence analysis. A numerical experiment confirms the high-order accuracy of the method in solving diffusion problems with variable diffusion tensor. It is worth mentioning that the approximation of the scalar variable presents a superconvergence effect.« less

Macro and micro analysis of small molecule diffusion in amorphous polymers

NASA Astrophysics Data System (ADS)

Putta, Santosh Krishna

In this study, both macroscopic and microscopic numerical techniques have been explored, to model and understand the diffusion behavior of small molecules in amorphous polymers, which very often do not follow the classical Fickian law. It was attempted to understand the influence of various aspects of the molecular structure of a polymer on its macroscopic diffusion behavior. At the macroscopic level, a hybrid finite-element/finite-difference model is developed to implement the coupled diffusion and deformation constitutive equations. A viscoelasticity theory, combined with time-freevolume superposition is used to model the deformation processes. A freevolume-based model is used to model the diffusion processes. The freevolume in the polymer is used as a coupling factor between the deformation and the diffusion processes. The model is shown to qualitatively describe some of the typical non-Fickian diffusion behavior in polymers. However, it does not directly involve the microstructure of a polymer. Further, some of the input parameters to the model are difficult to obtain experimentally. A numerical microscopic approach is therefore adopted to study the molecular structure of polymers. A molecular mechanics and dynamics technique combined with a modified Rotational Isomeric State (RIS) approach, is followed to generate the molecular structure for two types of polycarbonates, and, two types of polyacrylates, starting only with their chemical structures. A new efficient 3-D algorithm for Delaunay Tessellation is developed, and, then applied to discretize the molecular structure into Delaunay Tetrahedra. By using the dicretized molecular structure, size, shape, and, connectivity of free-spaces for small molecule diffusion in the above mentioned polymers, are then studied in relation to their diffusion properties. The influence of polymer and side chain flexibility, and diffusant-diffusant and diffusant-polymer molecular interactions, is also discussed with respect to the diffusion properties.

MCore: A High-Order Finite-Volume Dynamical Core for Atmospheric General Circulation Models

NASA Astrophysics Data System (ADS)

Ullrich, P.; Jablonowski, C.

2011-12-01

The desire for increasingly accurate predictions of the atmosphere has driven numerical models to smaller and smaller resolutions, while simultaneously exponentially driving up the cost of existing numerical models. Even with the modern rapid advancement of computational performance, it is estimated that it will take more than twenty years before existing models approach the scales needed to resolve atmospheric convection. However, smarter numerical methods may allow us to glimpse the types of results we would expect from these fine-scale simulations while only requiring a fraction of the computational cost. The next generation of atmospheric models will likely need to rely on both high-order accuracy and adaptive mesh refinement in order to properly capture features of interest. We present our ongoing research on developing a set of ``smart'' numerical methods for simulating the global non-hydrostatic fluid equations which govern atmospheric motions. We have harnessed a high-order finite-volume based approach in developing an atmospheric dynamical core on the cubed-sphere. This type of method is desirable for applications involving adaptive grids, since it has been shown that spuriously reflected wave modes are intrinsically damped out under this approach. The model further makes use of an implicit-explicit Runge-Kutta-Rosenbrock (IMEX-RKR) time integrator for accurate and efficient coupling of the horizontal and vertical model components. We survey the algorithmic development of the model and present results from idealized dynamical core test cases, as well as give a glimpse at future work with our model.

A Numerical Assessment of Cosmic-Ray Energy Diffusion through Turbulent Media

NASA Astrophysics Data System (ADS)

Fatuzzo, M.; Melia, F.

2014-04-01

How and where cosmic rays are produced, and how they diffuse through various turbulent media, represent fundamental problems in astrophysics with far-reaching implications, both in terms of our theoretical understanding of high-energy processes in the Milky Way and beyond, and the successful interpretation of space-based and ground based GeV and TeV observations. For example, recent and ongoing detections, e.g., by Fermi (in space) and HESS (in Namibia), of γ-rays produced in regions of dense molecular gas hold important clues for both processes. In this paper, we carry out a comprehensive numerical investigation of relativistic particle acceleration and transport through turbulent magnetized environments in order to derive broadly useful scaling laws for the energy diffusion coefficients.

Diffuse Reflectance Spectroscopy Versus Mexameter(®) MX18 Measurements of Melanin and Erythema in an African Population.

PubMed

Wright, Caradee Y; Karsten, Aletta E; Wilkes, Marcus; Singh, Ann; du Plessis, Johan; Albers, Patricia N; Karsten, Petrus A

2016-07-01

Melanin provides protection against excess exposure to solar ultraviolet radiation (UVR) and related adverse health effects. Diffuse reflectance spectroscopy (DRS) can be used to calculate cutaneous melanin and erythema, but this is complex and has been mostly used for light-to-medium pigmented skin. Handheld reflectance spectrophotometers, such as the Mexameter(®) MX18, can also be used. We compared DRS-calculated melanin and erythema values with Mexameter melanin and erythema index values to understand how these techniques/measurements correlate in an African population of predominantly deeply pigmented skin. Five hundred and three participants comprised 68.5% self-identified Black African, 9.9% Indian/Asian, 18.4% White and 2.9% Colored. The majority of Black African (45%), Indian/Asian (34%) and Colored (53%) participants self-identified their skin as being "brown." Measured melanin levels increased with darker self-reported skin color. DRS-calculated and Mexameter melanin values demonstrated a positive correlation (Spearman rho = 0.87, P < 0.001). The results from both instruments showed erythema values were strongly correlated with their own melanin values. This finding is considered spurious and may result from the complexity of separating brown and red pigment when using narrowband reflectance techniques. Further work is needed to understand melanin, erythema and color in Black skin given sun-related health risks in vulnerable groups in Africa. © 2016 The American Society of Photobiology.

Pure Left Neglect for Arabic Numerals

ERIC Educational Resources Information Center

Priftis, Konstantinos; Albanese, Silvia; Meneghello, Francesca; Pitteri, Marco

2013-01-01

Arabic numerals are diffused and language-free representations of number magnitude. To be effectively processed, the digits composing Arabic numerals must be spatially arranged along a left-to-right axis. We studied one patient (AK) to show that left neglect, after right hemisphere damage, can selectively impair the computation of the spatial…

Simulation of the early startup period of high-temperature heat pipes from the frozen state by a rarefied vapor self-diffusion model

NASA Technical Reports Server (NTRS)

Cao, Y.; Faghri, A.

1993-01-01

The heat pipe startup process is described physically and is divided into five periods for convenience of analysis. The literature survey revealed that none of the previous attempts to simulate the heat pipe startup process numerically were successful, since the rarefied vapor flow in the heat pipe was not considered. Therefore, a rarefied vapor self-diffusion model is proposed, and the early startup periods, in which the rarefied vapor flow is dominant within the heat pipe, are first simulated numerically. The numerical results show that large vapor density gradients existed along the heat pipe length, and the vapor flow reaches supersonic velocities when the density is extremely low. The numerical results are compared with the experimental data of the early startup period with good agreement.

Alignment dynamics of diffusive scalar gradient in a two-dimensional model flow

NASA Astrophysics Data System (ADS)

Gonzalez, M.

2018-04-01

The Lagrangian two-dimensional approach of scalar gradient kinematics is revisited accounting for molecular diffusion. Numerical simulations are performed in an analytic, parameterized model flow, which enables considering different regimes of scalar gradient dynamics. Attention is especially focused on the influence of molecular diffusion on Lagrangian statistical orientations and on the dynamics of scalar gradient alignment.

Two-dimensional numerical simulation of boron diffusion for pyramidally textured silicon

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

Ma, Fa-Jun, E-mail: Fajun.Ma@nus.edu.sg; Duttagupta, Shubham; Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, 117576

2014-11-14

Multidimensional numerical simulation of boron diffusion is of great relevance for the improvement of industrial n-type crystalline silicon wafer solar cells. However, surface passivation of boron diffused area is typically studied in one dimension on planar lifetime samples. This approach neglects the effects of the solar cell pyramidal texture on the boron doping process and resulting doping profile. In this work, we present a theoretical study using a two-dimensional surface morphology for pyramidally textured samples. The boron diffusivity and segregation coefficient between oxide and silicon in simulation are determined by reproducing measured one-dimensional boron depth profiles prepared using different boronmore » diffusion recipes on planar samples. The established parameters are subsequently used to simulate the boron diffusion process on textured samples. The simulated junction depth is found to agree quantitatively well with electron beam induced current measurements. Finally, chemical passivation on planar and textured samples is compared in device simulation. Particularly, a two-dimensional approach is adopted for textured samples to evaluate chemical passivation. The intrinsic emitter saturation current density, which is only related to Auger and radiative recombination, is also simulated for both planar and textured samples. The differences between planar and textured samples are discussed.« less

THE FREEZING POINT DEPRESSION OF MAMMALIAN TISSUES IN RELATION TO THE QUESTION OF OSMOTIC ACTIVITY OF CELL FLUID

PubMed Central

Brodsky, William A.; Appelboom, Johannes W.; Dennis, Warren H.; Rehm, Warren S.; Miley, John F.; Diamond, Israel

1956-01-01

The freezing point depression of freshly excised frozen tissues, pulverized in a hydraulic press or in a mortar, is greater than that of plasma. Even at 0°C. the freezing point depression of such homogenates increases significantly with time. Dilution data indicate that such freezing point data are valid. The presence of intact cells has been shown in smears of tissues pulverized in a mortar, but not in smears of those crushed in a hydraulic press. The osmolarity of various diluent solutions affects the calculated osmotic activity of tissue homogenates presumably because of delayed diffusion between the diluent and cell fluid. With a hypertonic NaCl diluent, spuriously low values of tissue osmotic activity are found from calculations assuming instantaneous mixing between homogenates and diluents. The limitations of data from cryoscopic experiments and from tissue-swelling experiments are discussed in relation to the basic question of whether or not cell fluid is isotonic to extracellular fluid. PMID:13385447

Diffusion mechanism of non-interacting Brownian particles through a deformed substrate

NASA Astrophysics Data System (ADS)

Arfa, Lahcen; Ouahmane, Mehdi; El Arroum, Lahcen

2018-02-01

We study the diffusion mechanism of non-interacting Brownian particles through a deformed substrate. The study is done at low temperature for different values of the friction. The deformed substrate is represented by a periodic Remoissenet-Peyrard potential with deformability parameter s. In this potential, the particles (impurity, adatoms…) can diffuse. We ignore the interactions between these mobile particles consider them merely as non-interacting Brownian particles and this system is described by a Fokker-Planck equation. We solve this equation numerically using the matrix continued fraction method to calculate the dynamic structure factor S(q , ω) . From S(q , ω) some relevant correlation functions are also calculated. In particular, we determine the half-width line λ(q) of the peak of the quasi-elastic dynamic structure factor S(q , ω) and the diffusion coefficient D. Our numerical results show that the diffusion mechanism is described, depending on the structure of the potential, either by a simple jump diffusion process with jump length close to the lattice constant a or by a combination of a jump diffusion model with jump length close to lattice constant a and a liquid-like motion inside the unit cell. It shows also that, for different friction regimes and various potential shapes, the friction attenuates the diffusion mechanism. It is found that, in the high friction regime, the diffusion process is more important through a deformed substrate than through a non-deformed one.

A finite element formulation preserving symmetric and banded diffusion stiffness matrix characteristics for fractional differential equations

NASA Astrophysics Data System (ADS)

Lin, Zeng; Wang, Dongdong

2017-10-01

Due to the nonlocal property of the fractional derivative, the finite element analysis of fractional diffusion equation often leads to a dense and non-symmetric stiffness matrix, in contrast to the conventional finite element formulation with a particularly desirable symmetric and banded stiffness matrix structure for the typical diffusion equation. This work first proposes a finite element formulation that preserves the symmetry and banded stiffness matrix characteristics for the fractional diffusion equation. The key point of the proposed formulation is the symmetric weak form construction through introducing a fractional weight function. It turns out that the stiffness part of the present formulation is identical to its counterpart of the finite element method for the conventional diffusion equation and thus the stiffness matrix formulation becomes trivial. Meanwhile, the fractional derivative effect in the discrete formulation is completely transferred to the force vector, which is obviously much easier and efficient to compute than the dense fractional derivative stiffness matrix. Subsequently, it is further shown that for the general fractional advection-diffusion-reaction equation, the symmetric and banded structure can also be maintained for the diffusion stiffness matrix, although the total stiffness matrix is not symmetric in this case. More importantly, it is demonstrated that under certain conditions this symmetric diffusion stiffness matrix formulation is capable of producing very favorable numerical solutions in comparison with the conventional non-symmetric diffusion stiffness matrix finite element formulation. The effectiveness of the proposed methodology is illustrated through a series of numerical examples.

Cross-sectional scanning thermal microscopy of ErAs/GaAs superlattices grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Park, K. W.; Krivoy, E. M.; Nair, H. P.; Bank, S. R.; Yu, E. T.

2015-07-01

Scanning thermal microscopy has been implemented in a cross-sectional geometry, and its application for quantitative, nanoscale analysis of thermal conductivity is demonstrated in studies of an ErAs/GaAs nanocomposite superlattice. Spurious measurement effects, attributable to local thermal transport through air, were observed near large step edges, but could be eliminated by thermocompression bonding to an additional structure. Using this approach, bonding of an ErAs/GaAs superlattice grown on GaAs to a silicon-on-insulator wafer enabled thermal signals to be obtained simultaneously from Si, SiO2, GaAs, and ErAs/GaAs superlattice. When combined with numerical modeling, the thermal conductivity of the ErAs/GaAs superlattice measured using this approach was 11 ± 4 W m-1 K-1.

A low complexity, low spur digital IF conversion circuit for high-fidelity GNSS signal playback

NASA Astrophysics Data System (ADS)

Su, Fei; Ying, Rendong

2016-01-01

A low complexity high efficiency and low spur digital intermediate frequency (IF) conversion circuit is discussed in the paper. This circuit is key element in high-fidelity GNSS signal playback instrument. We analyze the spur performance of a finite state machine (FSM) based numerically controlled oscillators (NCO), by optimization of the control algorithm, a FSM based NCO with 3 quantization stage can achieves 65dB SFDR in the range of the seventh harmonic. Compare with traditional lookup table based NCO design with the same Spurious Free Dynamic Range (SFDR) performance, the logic resource require to implemented the NCO is reduced to 1/3. The proposed design method can be extended to the IF conversion system with good SFDR in the range of higher harmonic components by increasing the quantization stage.

The Biermann catastrophe of numerical MHD

NASA Astrophysics Data System (ADS)

Graziani, C.; Tzeferacos, P.; Lee, D.; Lamb, D. Q.; Weide, K.; Fatenejad, M.; Miller, J.

2016-05-01

The Biermann Battery effect is frequently invoked in cosmic magnetogenesis and studied in High-Energy Density laboratory physics experiments. Unfortunately, direct implementation of the Biermann effect in MHD codes is known to produce unphysical magnetic fields at shocks whose value does not converge with resolution. We show that this convergence breakdown is due to naive discretization, which fails to account for the fact that discretized irrotational vector fields have spurious solenoidal components that grow without bound near a discontinuity. We show that careful consideration of the kinetics of ion viscous shocks leads to a formulation of the Biermann effect that gives rise to a convergent algorithm. We note a novel physical effect a resistive magnetic precursor in which Biermann-generated field in the shock “leaks” resistively upstream. The effect appears to be potentially observable in experiments at laser facilities.

Cross-sectional scanning thermal microscopy of ErAs/GaAs superlattices grown by molecular beam epitaxy.

PubMed

Park, K W; Krivoy, E M; Nair, H P; Bank, S R; Yu, E T

2015-07-03

Scanning thermal microscopy has been implemented in a cross-sectional geometry, and its application for quantitative, nanoscale analysis of thermal conductivity is demonstrated in studies of an ErAs/GaAs nanocomposite superlattice. Spurious measurement effects, attributable to local thermal transport through air, were observed near large step edges, but could be eliminated by thermocompression bonding to an additional structure. Using this approach, bonding of an ErAs/GaAs superlattice grown on GaAs to a silicon-on-insulator wafer enabled thermal signals to be obtained simultaneously from Si, SiO2, GaAs, and ErAs/GaAs superlattice. When combined with numerical modeling, the thermal conductivity of the ErAs/GaAs superlattice measured using this approach was 11 ± 4 W m(-1) K(-1).

An architecture for integrating planar and 3D cQED devices

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

Axline, C.; Reagor, M.; Heeres, R.

Numerous loss mechanisms can limit coherence and scalability of planar and 3D-based circuit quantum electrodynamics (cQED) devices, particularly due to their packaging. The low loss and natural isolation of 3D enclosures make them good candidates for coherent scaling. We introduce a coaxial transmission line device architecture with coherence similar to traditional 3D cQED systems. Measurements demonstrate well-controlled external and on-chip couplings, a spectrum absent of cross-talk or spurious modes, and excellent resonator and qubit lifetimes. We integrate a resonator-qubit system in this architecture with a seamless 3D cavity, and separately pattern a qubit, readout resonator, Purcell filter, and high-Q striplinemore » resonator on a single chip. Device coherence and its ease of integration make this a promising tool for complex experiments.« less

Hybrid Black-Hole Binary Initial Data

NASA Technical Reports Server (NTRS)

Mundim, Bruno C.; Kelly, Bernard J.; Nakano, Hiroyuki; Zlochower, Yosef; Campanelli, Manuela

2010-01-01

"Traditional black-hole binary puncture initial data is conformally flat. This unphysical assumption is coupled with a lack of radiation signature from the binary's past life. As a result, waveforms extracted from evolutions of this data display an abrupt jump. In Kelly et al. [Class. Quantum Grav. 27:114005 (2010)], a new binary black-hole initial data with radiation contents derived in the post-Newtonian (PN) calculations was adapted to puncture evolutions in numerical relativity. This data satisfies the constraint equations to the 2.5PN order, and contains a transverse-traceless "wavy" metric contribution, violating the standard assumption of conformal flatness. Although the evolution contained less spurious radiation, there were undesired features; the unphysical horizon mass loss and the large initial orbital eccentricity. Introducing a hybrid approach to the initial data evaluation, we significantly reduce these undesired features."

Scattering of laser light - more than just smoke and mirrors

NASA Technical Reports Server (NTRS)

Davis, Anthony B.; Love, Stephen; Cahalan, Robert

2004-01-01

A short course on off-beam cloud lidar is given. Specific topics addressed include: motivation and goal of off-beam cloud lidar; diffusion physics; numeric amalysis; and validity of the diffusion approximation. A demo of the process is included.

Development of advanced methods for analysis of experimental data in diffusion

NASA Astrophysics Data System (ADS)

Jaques, Alonso V.

There are numerous experimental configurations and data analysis techniques for the characterization of diffusion phenomena. However, the mathematical methods for estimating diffusivities traditionally do not take into account the effects of experimental errors in the data, and often require smooth, noiseless data sets to perform the necessary analysis steps. The current methods used for data smoothing require strong assumptions which can introduce numerical "artifacts" into the data, affecting confidence in the estimated parameters. The Boltzmann-Matano method is used extensively in the determination of concentration - dependent diffusivities, D(C), in alloys. In the course of analyzing experimental data, numerical integrations and differentiations of the concentration profile are performed. These methods require smoothing of the data prior to analysis. We present here an approach to the Boltzmann-Matano method that is based on a regularization method to estimate a differentiation operation on the data, i.e., estimate the concentration gradient term, which is important in the analysis process for determining the diffusivity. This approach, therefore, has the potential to be less subjective, and in numerical simulations shows an increased accuracy in the estimated diffusion coefficients. We present a regression approach to estimate linear multicomponent diffusion coefficients that eliminates the need pre-treat or pre-condition the concentration profile. This approach fits the data to a functional form of the mathematical expression for the concentration profile, and allows us to determine the diffusivity matrix directly from the fitted parameters. Reformulation of the equation for the analytical solution is done in order to reduce the size of the problem and accelerate the convergence. The objective function for the regression can incorporate point estimations for error in the concentration, improving the statistical confidence in the estimated diffusivity matrix. Case studies are presented to demonstrate the reliability and the stability of the method. To the best of our knowledge there is no published analysis of the effects of experimental errors on the reliability of the estimates for the diffusivities. For the case of linear multicomponent diffusion, we analyze the effects of the instrument analytical spot size, positioning uncertainty, and concentration uncertainty on the resulting values of the diffusivities. These effects are studied using Monte Carlo method on simulated experimental data. Several useful scaling relationships were identified which allow more rigorous and quantitative estimates of the errors in the measured data, and are valuable for experimental design. To further analyze anomalous diffusion processes, where traditional diffusional transport equations do not hold, we explore the use of fractional calculus in analytically representing these processes is proposed. We use the fractional calculus approach for anomalous diffusion processes occurring through a finite plane sheet with one face held at a fixed concentration, the other held at zero, and the initial concentration within the sheet equal to zero. This problem is related to cases in nature where diffusion is enhanced relative to the classical process, and the order of differentiation is not necessarily a second--order differential equation. That is, differentiation is of fractional order alpha, where 1 ≤ alpha < 2. For alpha = 2, the presented solutions reduce to the classical second-order diffusion solution for the conditions studied. The solution obtained allows the analysis of permeation experiments. Frequently, hydrogen diffusion is analyzed using electrochemical permeation methods using the traditional, Fickian-based theory. Experimental evidence shows the latter analytical approach is not always appropiate, because reported data shows qualitative (and quantitative) deviation from its theoretical scaling predictions. Preliminary analysis of data shows better agreement with fractional diffusion analysis when compared to traditional square-root scaling. Although there is a large amount of work in the estimation of the diffusivity from experimental data, reported studies typically present only the analytical description for the diffusivity, without scattering. However, because these studies do not consider effects produced by instrument analysis, their direct applicability is limited. We propose alternatives to address these, and to evaluate their influence on the final resulting diffusivity values.

Numerical Solution of Moving Phase Boundary and Diffusion-Induced Stress of Sn Anode in the Lithium-Ion Battery

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

Chen, Chun-Hao; Chason, Eric; Guduru, Pradeep R.

Here, we have previously observed a large transient stress in Sn film anodes at the beginning of the Sn-Li 2Sn 5 phase transformation. To understand this behavior, we use numerical modeling to simulate the kinetics of the 1-D moving boundary and Li diffusion in the Sn anodes. A mixture of diffusion-controlled and interface-controlled kinetics is found. The Li concentration in the Li 2Sn 5 phase remains near a steady-state profile as the phase boundary propagates, whereas the Li diffusion in Sn is more complicated. Li continuously diffuses into the Sn layer and produces a supersaturation; the Li can then diffusemore » toward the Sn/Li 2Sn 5 interface and contribute to further phase transformation. Finally, the evolution of Li concentration in the Sn induces strain which involves rate-dependent plasticity and elastic unloading, resulting in the complex stress evolution that is observed. In the long term, the measured stress is dominated by the stress in the growing Li 2Sn 5 phase.« less

Nonlocal transport in the presence of transport barriers

NASA Astrophysics Data System (ADS)

Del-Castillo-Negrete, D.

2013-10-01

There is experimental, numerical, and theoretical evidence that transport in plasmas can, under certain circumstances, depart from the standard local, diffusive description. Examples include fast pulse propagation phenomena in perturbative experiments, non-diffusive scaling in L-mode plasmas, and non-Gaussian statistics of fluctuations. From the theoretical perspective, non-diffusive transport descriptions follow from the relaxation of the restrictive assumptions (locality, scale separation, and Gaussian/Markovian statistics) at the foundation of diffusive models. We discuss an alternative class of models able to capture some of the observed non-diffusive transport phenomenology. The models are based on a class of nonlocal, integro-differential operators that provide a unifying framework to describe non- Fickian scale-free transport, and non-Markovian (memory) effects. We study the interplay between nonlocality and internal transport barriers (ITBs) in perturbative transport including cold edge pulses and power modulation. Of particular interest in the nonlocal ``tunnelling'' of perturbations through ITBs. Also, flux-gradient diagrams are discussed as diagnostics to detect nonlocal transport processes in numerical simulations and experiments. Work supported by the US Department of Energy.

Numerical Solution of Moving Phase Boundary and Diffusion-Induced Stress of Sn Anode in the Lithium-Ion Battery

DOE PAGES

Chen, Chun-Hao; Chason, Eric; Guduru, Pradeep R.

2017-08-02

Here, we have previously observed a large transient stress in Sn film anodes at the beginning of the Sn-Li 2Sn 5 phase transformation. To understand this behavior, we use numerical modeling to simulate the kinetics of the 1-D moving boundary and Li diffusion in the Sn anodes. A mixture of diffusion-controlled and interface-controlled kinetics is found. The Li concentration in the Li 2Sn 5 phase remains near a steady-state profile as the phase boundary propagates, whereas the Li diffusion in Sn is more complicated. Li continuously diffuses into the Sn layer and produces a supersaturation; the Li can then diffusemore » toward the Sn/Li 2Sn 5 interface and contribute to further phase transformation. Finally, the evolution of Li concentration in the Sn induces strain which involves rate-dependent plasticity and elastic unloading, resulting in the complex stress evolution that is observed. In the long term, the measured stress is dominated by the stress in the growing Li 2Sn 5 phase.« less

Nonlinear diffusion filtering of the GOCE-based satellite-only MDT

NASA Astrophysics Data System (ADS)

Čunderlík, Róbert; Mikula, Karol

2015-04-01

A combination of the GRACE/GOCE-based geoid models and mean sea surface models provided by satellite altimetry allows modelling of the satellite-only mean dynamic topography (MDT). Such MDT models are significantly affected by a stripping noise due to omission errors of the spherical harmonics approach. Appropriate filtering of this kind of noise is crucial in obtaining reliable results. In our study we use the nonlinear diffusion filtering based on a numerical solution to the nonlinear diffusion equation on closed surfaces (e.g. on a sphere, ellipsoid or the discretized Earth's surface), namely the regularized surface Perona-Malik model. A key idea is that the diffusivity coefficient depends on an edge detector. It allows effectively reduce the noise while preserve important gradients in filtered data. Numerical experiments present nonlinear filtering of the satellite-only MDT obtained as a combination of the DTU13 mean sea surface model and GO_CONS_GCF_2_DIR_R5 geopotential model. They emphasize an adaptive smoothing effect as a principal advantage of the nonlinear diffusion filtering. Consequently, the derived velocities of the ocean geostrophic surface currents contain stronger signal.

Reaction Rate of Small Diffusing Molecules on a Cylindrical Membrane

NASA Astrophysics Data System (ADS)

Straube, Ronny; Ward, Michael J.; Falcke, Martin

2007-10-01

Biomembranes consist of a lipid bi-layer into which proteins are embedded to fulfill numerous tasks in localized regions of the membrane. Often, the proteins have to reach these regions by simple diffusion. Motivated by the observation that IP3 receptor channels (IP3R) form clusters on the surface of the endoplasmic reticulum (ER) during ATP-induced calcium release, the reaction rate of small diffusing molecules on a cylindrical membrane is calculated based on the Smoluchowski approach. In this way, the cylindrical topology of the tubular ER is explicitly taken into account. The problem can be reduced to the solution of the diffusion equation on a finite cylindrical surface containing a small absorbing hole. The solution is constructed by matching appropriate `inner' and `outer' asymptotic expansions. The asymptotic results are compared with those from numerical simulations and excellent agreement is obtained. For realistic parameter sets, we find reaction rates in the range of experimentally measured clustering rates of IP3R. This supports the idea that clusters are formed by a purely diffusion limited process.

An efficient approach for treating composition-dependent diffusion within organic particles

DOE PAGES

O'Meara, Simon; Topping, David O.; Zaveri, Rahul A.; ...

2017-09-07

Mounting evidence demonstrates that under certain conditions the rate of component partitioning between the gas and particle phase in atmospheric organic aerosol is limited by particle-phase diffusion. To date, however, particle-phase diffusion has not been incorporated into regional atmospheric models. An analytical rather than numerical solution to diffusion through organic particulate matter is desirable because of its comparatively small computational expense in regional models. Current analytical models assume diffusion to be independent of composition and therefore use a constant diffusion coefficient. To realistically model diffusion, however, it should be composition-dependent (e.g. due to the partitioning of components that plasticise, vitrifymore » or solidify). This study assesses the modelling capability of an analytical solution to diffusion corrected to account for composition dependence against a numerical solution. Results show reasonable agreement when the gas-phase saturation ratio of a partitioning component is constant and particle-phase diffusion limits partitioning rate (<10% discrepancy in estimated radius change). However, when the saturation ratio of the partitioning component varies, a generally applicable correction cannot be found, indicating that existing methodologies are incapable of deriving a general solution. Until such time as a general solution is found, caution should be given to sensitivity studies that assume constant diffusivity. Furthermore, the correction was implemented in the polydisperse, multi-process Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) and is used to illustrate how the evolution of number size distribution may be accelerated by condensation of a plasticising component onto viscous organic particles.« less

An efficient approach for treating composition-dependent diffusion within organic particles

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

O'Meara, Simon; Topping, David O.; Zaveri, Rahul A.

Mounting evidence demonstrates that under certain conditions the rate of component partitioning between the gas and particle phase in atmospheric organic aerosol is limited by particle-phase diffusion. To date, however, particle-phase diffusion has not been incorporated into regional atmospheric models. An analytical rather than numerical solution to diffusion through organic particulate matter is desirable because of its comparatively small computational expense in regional models. Current analytical models assume diffusion to be independent of composition and therefore use a constant diffusion coefficient. To realistically model diffusion, however, it should be composition-dependent (e.g. due to the partitioning of components that plasticise, vitrifymore » or solidify). This study assesses the modelling capability of an analytical solution to diffusion corrected to account for composition dependence against a numerical solution. Results show reasonable agreement when the gas-phase saturation ratio of a partitioning component is constant and particle-phase diffusion limits partitioning rate (<10% discrepancy in estimated radius change). However, when the saturation ratio of the partitioning component varies, a generally applicable correction cannot be found, indicating that existing methodologies are incapable of deriving a general solution. Until such time as a general solution is found, caution should be given to sensitivity studies that assume constant diffusivity. Furthermore, the correction was implemented in the polydisperse, multi-process Model for Simulating Aerosol Interactions and Chemistry (MOSAIC) and is used to illustrate how the evolution of number size distribution may be accelerated by condensation of a plasticising component onto viscous organic particles.« less

Long-time behavior and Turing instability induced by cross-diffusion in a three species food chain model with a Holling type-II functional response.

PubMed

Haile, Dawit; Xie, Zhifu

2015-09-01

In this paper, we study a strongly coupled reaction-diffusion system describing three interacting species in a food chain model, where the third species preys on the second one and simultaneously the second species preys on the first one. An intra-species competition b2 among the second predator is introduced to the food chain model. This parameter produces some very interesting result in linear stability and Turing instability. We first show that the unique positive equilibrium solution is locally asymptotically stable for the corresponding ODE system when the intra-species competition exists among the second predator. The positive equilibrium solution remains linearly stable for the reaction diffusion system without cross diffusion, hence it does not belong to the classical Turing instability scheme. But it becomes linearly unstable only when cross-diffusion also plays a role in the reaction-diffusion system, hence the instability is driven solely from the effect of cross diffusion. Our results also exhibit some interesting combining effects of cross-diffusion, intra-species competitions and inter-species interactions. Numerically, we conduct a one parameter analysis which illustrate how the interactions change the existence of stable equilibrium, limit cycle, and chaos. Some interesting dynamical phenomena occur when we perform analysis of interactions in terms of self-production of prey and intra-species competition of the middle predator. By numerical simulations, it illustrates the existence of nonuniform steady solutions and new patterns such as spot patterns, strip patterns and fluctuations due to the diffusion and cross diffusion in two-dimension. Published by Elsevier Inc.

Propagation of Galactic cosmic rays: the influence of anisotropic diffusion

NASA Astrophysics Data System (ADS)

AL-Zetoun, A.; Achterberg, A.

2018-06-01

We consider the anisotropic diffusion of cosmic rays in the large-scale Galactic magnetic field, where diffusion along the field and diffusion across the field proceeds at different rates. To calculate this diffusion, we use stochastic differential equations to describe the cosmic ray propagation, solving these numerically. The Galactic magnetic field is described using the Jansson-Farrar model for the Galactic magnetic field. In this paper, we study the influence of perpendicular diffusion on the residence time of cosmic rays in the Galaxy. This provides an estimate for the influence of anisotropic diffusion on the residence time and the amount of matter (grammage) that a typical cosmic ray traverses during its residence in the Galaxy.

Assessing the Probability that a Finding Is Genuine for Large-Scale Genetic Association Studies

PubMed Central

Kuo, Chia-Ling; Vsevolozhskaya, Olga A.; Zaykin, Dmitri V.

2015-01-01

Genetic association studies routinely involve massive numbers of statistical tests accompanied by P-values. Whole genome sequencing technologies increased the potential number of tested variants to tens of millions. The more tests are performed, the smaller P-value is required to be deemed significant. However, a small P-value is not equivalent to small chances of a spurious finding and significance thresholds may fail to serve as efficient filters against false results. While the Bayesian approach can provide a direct assessment of the probability that a finding is spurious, its adoption in association studies has been slow, due in part to the ubiquity of P-values and the automated way they are, as a rule, produced by software packages. Attempts to design simple ways to convert an association P-value into the probability that a finding is spurious have been met with difficulties. The False Positive Report Probability (FPRP) method has gained increasing popularity. However, FPRP is not designed to estimate the probability for a particular finding, because it is defined for an entire region of hypothetical findings with P-values at least as small as the one observed for that finding. Here we propose a method that lets researchers extract probability that a finding is spurious directly from a P-value. Considering the counterpart of that probability, we term this method POFIG: the Probability that a Finding is Genuine. Our approach shares FPRP's simplicity, but gives a valid probability that a finding is spurious given a P-value. In addition to straightforward interpretation, POFIG has desirable statistical properties. The POFIG average across a set of tentative associations provides an estimated proportion of false discoveries in that set. POFIGs are easily combined across studies and are immune to multiple testing and selection bias. We illustrate an application of POFIG method via analysis of GWAS associations with Crohn's disease. PMID:25955023

Assessing the Probability that a Finding Is Genuine for Large-Scale Genetic Association Studies.

PubMed

Kuo, Chia-Ling; Vsevolozhskaya, Olga A; Zaykin, Dmitri V

2015-01-01

Genetic association studies routinely involve massive numbers of statistical tests accompanied by P-values. Whole genome sequencing technologies increased the potential number of tested variants to tens of millions. The more tests are performed, the smaller P-value is required to be deemed significant. However, a small P-value is not equivalent to small chances of a spurious finding and significance thresholds may fail to serve as efficient filters against false results. While the Bayesian approach can provide a direct assessment of the probability that a finding is spurious, its adoption in association studies has been slow, due in part to the ubiquity of P-values and the automated way they are, as a rule, produced by software packages. Attempts to design simple ways to convert an association P-value into the probability that a finding is spurious have been met with difficulties. The False Positive Report Probability (FPRP) method has gained increasing popularity. However, FPRP is not designed to estimate the probability for a particular finding, because it is defined for an entire region of hypothetical findings with P-values at least as small as the one observed for that finding. Here we propose a method that lets researchers extract probability that a finding is spurious directly from a P-value. Considering the counterpart of that probability, we term this method POFIG: the Probability that a Finding is Genuine. Our approach shares FPRP's simplicity, but gives a valid probability that a finding is spurious given a P-value. In addition to straightforward interpretation, POFIG has desirable statistical properties. The POFIG average across a set of tentative associations provides an estimated proportion of false discoveries in that set. POFIGs are easily combined across studies and are immune to multiple testing and selection bias. We illustrate an application of POFIG method via analysis of GWAS associations with Crohn's disease.

A study on ?-dissipative synchronisation of coupled reaction-diffusion neural networks with time-varying delays

NASA Astrophysics Data System (ADS)

Ali, M. Syed; Zhu, Quanxin; Pavithra, S.; Gunasekaran, N.

2018-03-01

This study examines the problem of dissipative synchronisation of coupled reaction-diffusion neural networks with time-varying delays. This paper proposes a complex dynamical network consisting of N linearly and diffusively coupled identical reaction-diffusion neural networks. By constructing a suitable Lyapunov-Krasovskii functional (LKF), utilisation of Jensen's inequality and reciprocally convex combination (RCC) approach, strictly ?-dissipative conditions of the addressed systems are derived. Finally, a numerical example is given to show the effectiveness of the theoretical results.

Atomistic models of Cu diffusion in CuInSe2 under variations in composition

NASA Astrophysics Data System (ADS)

Sommer, David E.; Dunham, Scott T.

2018-03-01

We construct an analytic model for the composition dependence of the vacancy-mediated Cu diffusion coefficient in undoped CuInSe2 using parameters from density functional theory. The applicability of this model is supported numerically with kinetic lattice Monte Carlo and Onsager transport tensors. We discuss how this model relates to experimental measurements of Cu diffusion, arguing that our results can account for significant contributions to the bulk diffusion of Cu tracers in non-stoichiometric CuInSe2.

Unifying diffusion and seepage for nonlinear gas transport in multiscale porous media

NASA Astrophysics Data System (ADS)

Song, Hongqing; Wang, Yuhe; Wang, Jiulong; Li, Zhengyi

2016-09-01

We unify the diffusion and seepage process for nonlinear gas transport in multiscale porous media via a proposed new general transport equation. A coherent theoretical derivation indicates the wall-molecule and molecule-molecule collisions drive the Knudsen and collective diffusive fluxes, and constitute the system pressure across the porous media. A new terminology, nominal diffusion coefficient can summarize Knudsen and collective diffusion coefficients. Physical and numerical experiments show the support of the new formulation and provide approaches to obtain the diffusion coefficient and permeability simultaneously. This work has important implication for natural gas extraction and greenhouse gases sequestration in geological formations.

Modelling Detailed-Chemistry Effects on Turbulent Diffusion Flames using a Parallel Solution-Adaptive Scheme

NASA Astrophysics Data System (ADS)

Jha, Pradeep Kumar

Capturing the effects of detailed-chemistry on turbulent combustion processes is a central challenge faced by the numerical combustion community. However, the inherent complexity and non-linear nature of both turbulence and chemistry require that combustion models rely heavily on engineering approximations to remain computationally tractable. This thesis proposes a computationally efficient algorithm for modelling detailed-chemistry effects in turbulent diffusion flames and numerically predicting the associated flame properties. The cornerstone of this combustion modelling tool is the use of parallel Adaptive Mesh Refinement (AMR) scheme with the recently proposed Flame Prolongation of Intrinsic low-dimensional manifold (FPI) tabulated-chemistry approach for modelling complex chemistry. The effect of turbulence on the mean chemistry is incorporated using a Presumed Conditional Moment (PCM) approach based on a beta-probability density function (PDF). The two-equation k-w turbulence model is used for modelling the effects of the unresolved turbulence on the mean flow field. The finite-rate of methane-air combustion is represented here by using the GRI-Mech 3.0 scheme. This detailed mechanism is used to build the FPI tables. A state of the art numerical scheme based on a parallel block-based solution-adaptive algorithm has been developed to solve the Favre-averaged Navier-Stokes (FANS) and other governing partial-differential equations using a second-order accurate, fully-coupled finite-volume formulation on body-fitted, multi-block, quadrilateral/hexahedral mesh for two-dimensional and three-dimensional flow geometries, respectively. A standard fourth-order Runge-Kutta time-marching scheme is used for time-accurate temporal discretizations. Numerical predictions of three different diffusion flames configurations are considered in the present work: a laminar counter-flow flame; a laminar co-flow diffusion flame; and a Sydney bluff-body turbulent reacting flow. Comparisons are made between the predicted results of the present FPI scheme and Steady Laminar Flamelet Model (SLFM) approach for diffusion flames. The effects of grid resolution on the predicted overall flame solutions are also assessed. Other non-reacting flows have also been considered to further validate other aspects of the numerical scheme. The present schemes predict results which are in good agreement with published experimental results and reduces the computational cost involved in modelling turbulent diffusion flames significantly, both in terms of storage and processing time.

Numerical simulation of nonstationary dissipative structures in 3D double-diffusive convection at large Rayleigh numbers

NASA Astrophysics Data System (ADS)

Kozitskiy, Sergey

2018-06-01

Numerical simulation of nonstationary dissipative structures in 3D double-diffusive convection has been performed by using the previously derived system of complex Ginzburg-Landau type amplitude equations, valid in a neighborhood of Hopf bifurcation points. Simulation has shown that the state of spatiotemporal chaos develops in the system. It has the form of nonstationary structures that depend on the parameters of the system. The shape of structures does not depend on the initial conditions, and a limited number of spectral components participate in their formation.

Numerical simulation of nonstationary dissipative structures in 3D double-diffusive convection at large Rayleigh numbers

NASA Astrophysics Data System (ADS)

Kozitskiy, Sergey

2018-05-01

Numerical simulation of nonstationary dissipative structures in 3D double-diffusive convection has been performed by using the previously derived system of complex Ginzburg-Landau type amplitude equations, valid in a neighborhood of Hopf bifurcation points. Simulation has shown that the state of spatiotemporal chaos develops in the system. It has the form of nonstationary structures that depend on the parameters of the system. The shape of structures does not depend on the initial conditions, and a limited number of spectral components participate in their formation.

The role of spurious correlation in the development of a komatiite alteration model

NASA Astrophysics Data System (ADS)

Butler, John C.

1986-11-01

Procedures for detecting alterations in komatiites are described. The research of Pearson (1897) on spurious correlation and of Chayes (1949, 1971) on ratio correlation is reviewed. The equations for the ratio correlation procedure are provided. The ratio correlation procedure is applied to the komatiites from Gorgona Island and the Barberton suite. Plots of the molecular proportion ratios of (FeO + MgO)/TiO2 versus SiO2/TiO2, and correlation coefficients for the komatiites are presented and analyzed.

Reasoning about energy in qualitative simulation

NASA Technical Reports Server (NTRS)

Fouche, Pierre; Kuipers, Benjamin J.

1992-01-01

While possible behaviors of a mechanism that are consistent with an incomplete state of knowledge can be predicted through qualitative modeling and simulation, spurious behaviors corresponding to no solution of any ordinary differential equation consistent with the model may be generated. The present method for energy-related reasoning eliminates an important source of spurious behaviors, as demonstrated by its application to a nonlinear, proportional-integral controlled. It is shown that such qualitative properties of such a system as stability and zero-offset control are captured by the simulation.

Fractional calculus phenomenology in two-dimensional plasma models

NASA Astrophysics Data System (ADS)

Gustafson, Kyle; Del Castillo Negrete, Diego; Dorland, Bill

2006-10-01

Transport processes in confined plasmas for fusion experiments, such as ITER, are not well-understood at the basic level of fully nonlinear, three-dimensional kinetic physics. Turbulent transport is invoked to describe the observed levels in tokamaks, which are orders of magnitude greater than the theoretical predictions. Recent results show the ability of a non-diffusive transport model to describe numerical observations of turbulent transport. For example, resistive MHD modeling of tracer particle transport in pressure-gradient driven turbulence for a three-dimensional plasma reveals that the superdiffusive (2̂˜t^α where α> 1) radial transport in this system is described quantitatively by a fractional diffusion equation Fractional calculus is a generalization involving integro-differential operators, which naturally describe non-local behaviors. Our previous work showed the quantitative agreement of special fractional diffusion equation solutions with numerical tracer particle flows in time-dependent linearized dynamics of the Hasegawa-Mima equation (for poloidal transport in a two-dimensional cold-ion plasma). In pursuit of a fractional diffusion model for transport in a gyrokinetic plasma, we now present numerical results from tracer particle transport in the nonlinear Hasegawa-Mima equation and a planar gyrokinetic model. Finite Larmor radius effects will be discussed. D. del Castillo Negrete, et al, Phys. Rev. Lett. 94, 065003 (2005).

Two-dimensional atmospheric transport and chemistry model - Numerical experiments with a new advection algorithm

NASA Technical Reports Server (NTRS)

Shia, Run-Lie; Ha, Yuk Lung; Wen, Jun-Shan; Yung, Yuk L.

1990-01-01

Extensive testing of the advective scheme proposed by Prather (1986) has been carried out in support of the California Institute of Technology-Jet Propulsion Laboratory two-dimensional model of the middle atmosphere. The original scheme is generalized to include higher-order moments. In addition, it is shown how well the scheme works in the presence of chemistry as well as eddy diffusion. Six types of numerical experiments including simple clock motion and pure advection in two dimensions have been investigated in detail. By comparison with analytic solutions, it is shown that the new algorithm can faithfully preserve concentration profiles, has essentially no numerical diffusion, and is superior to a typical fourth-order finite difference scheme.

Phase-field-based lattice Boltzmann modeling of large-density-ratio two-phase flows

NASA Astrophysics Data System (ADS)

Liang, Hong; Xu, Jiangrong; Chen, Jiangxing; Wang, Huili; Chai, Zhenhua; Shi, Baochang

2018-03-01

In this paper, we present a simple and accurate lattice Boltzmann (LB) model for immiscible two-phase flows, which is able to deal with large density contrasts. This model utilizes two LB equations, one of which is used to solve the conservative Allen-Cahn equation, and the other is adopted to solve the incompressible Navier-Stokes equations. A forcing distribution function is elaborately designed in the LB equation for the Navier-Stokes equations, which make it much simpler than the existing LB models. In addition, the proposed model can achieve superior numerical accuracy compared with previous Allen-Cahn type of LB models. Several benchmark two-phase problems, including static droplet, layered Poiseuille flow, and spinodal decomposition are simulated to validate the present LB model. It is found that the present model can achieve relatively small spurious velocity in the LB community, and the obtained numerical results also show good agreement with the analytical solutions or some available results. Lastly, we use the present model to investigate the droplet impact on a thin liquid film with a large density ratio of 1000 and the Reynolds number ranging from 20 to 500. The fascinating phenomena of droplet splashing is successfully reproduced by the present model and the numerically predicted spreading radius exhibits to obey the power law reported in the literature.

Some Results Relevant to Statistical Closures for Compressible Turbulence

NASA Technical Reports Server (NTRS)

Ristorcelli, J. R.

1998-01-01

For weakly compressible turbulent fluctuations there exists a small parameter, the square of the fluctuating Mach number, that allows an investigation using a perturbative treatment. The consequences of such a perturbative analysis in three different subject areas are described: 1) initial conditions in direct numerical simulations, 2) an explanation for the oscillations seen in the compressible pressure in the direct numerical simulations of homogeneous shear, and 3) for turbulence closures accounting for the compressibility of velocity fluctuations. Initial conditions consistent with small turbulent Mach number asymptotics are constructed. The importance of consistent initial conditions in the direct numerical simulation of compressible turbulence is dramatically illustrated: spurious oscillations associated with inconsistent initial conditions are avoided, and the fluctuating dilatational field is some two orders of magnitude smaller for a compressible isotropic turbulence. For the isotropic decay it is shown that the choice of initial conditions can change the scaling law for the compressible dissipation. A two-time expansion of the Navier-Stokes equations is used to distinguish compressible acoustic and compressible advective modes. A simple conceptual model for weakly compressible turbulence - a forced linear oscillator is described. It is shown that the evolution equations for the compressible portions of turbulence can be understood as a forced wave equation with refraction. Acoustic modes of the flow can be amplified by refraction and are able to manifest themselves in large fluctuations of the compressible pressure.

Finite-volume WENO scheme for viscous compressible multicomponent flows

PubMed Central

Coralic, Vedran; Colonius, Tim

2014-01-01

We develop a shock- and interface-capturing numerical method that is suitable for the simulation of multicomponent flows governed by the compressible Navier-Stokes equations. The numerical method is high-order accurate in smooth regions of the flow, discretely conserves the mass of each component, as well as the total momentum and energy, and is oscillation-free, i.e. it does not introduce spurious oscillations at the locations of shockwaves and/or material interfaces. The method is of Godunov-type and utilizes a fifth-order, finite-volume, weighted essentially non-oscillatory (WENO) scheme for the spatial reconstruction and a Harten-Lax-van Leer contact (HLLC) approximate Riemann solver to upwind the fluxes. A third-order total variation diminishing (TVD) Runge-Kutta (RK) algorithm is employed to march the solution in time. The derivation is generalized to three dimensions and nonuniform Cartesian grids. A two-point, fourth-order, Gaussian quadrature rule is utilized to build the spatial averages of the reconstructed variables inside the cells, as well as at cell boundaries. The algorithm is therefore fourth-order accurate in space and third-order accurate in time in smooth regions of the flow. We corroborate the properties of our numerical method by considering several challenging one-, two- and three-dimensional test cases, the most complex of which is the asymmetric collapse of an air bubble submerged in a cylindrical water cavity that is embedded in 10% gelatin. PMID:25110358

Finite-volume WENO scheme for viscous compressible multicomponent flows.

PubMed

Coralic, Vedran; Colonius, Tim

2014-10-01

We develop a shock- and interface-capturing numerical method that is suitable for the simulation of multicomponent flows governed by the compressible Navier-Stokes equations. The numerical method is high-order accurate in smooth regions of the flow, discretely conserves the mass of each component, as well as the total momentum and energy, and is oscillation-free, i.e. it does not introduce spurious oscillations at the locations of shockwaves and/or material interfaces. The method is of Godunov-type and utilizes a fifth-order, finite-volume, weighted essentially non-oscillatory (WENO) scheme for the spatial reconstruction and a Harten-Lax-van Leer contact (HLLC) approximate Riemann solver to upwind the fluxes. A third-order total variation diminishing (TVD) Runge-Kutta (RK) algorithm is employed to march the solution in time. The derivation is generalized to three dimensions and nonuniform Cartesian grids. A two-point, fourth-order, Gaussian quadrature rule is utilized to build the spatial averages of the reconstructed variables inside the cells, as well as at cell boundaries. The algorithm is therefore fourth-order accurate in space and third-order accurate in time in smooth regions of the flow. We corroborate the properties of our numerical method by considering several challenging one-, two- and three-dimensional test cases, the most complex of which is the asymmetric collapse of an air bubble submerged in a cylindrical water cavity that is embedded in 10% gelatin.

From stochastic processes to numerical methods: A new scheme for solving reaction subdiffusion fractional partial differential equations

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

Angstmann, C.N.; Donnelly, I.C.; Henry, B.I., E-mail: B.Henry@unsw.edu.au

We have introduced a new explicit numerical method, based on a discrete stochastic process, for solving a class of fractional partial differential equations that model reaction subdiffusion. The scheme is derived from the master equations for the evolution of the probability density of a sum of discrete time random walks. We show that the diffusion limit of the master equations recovers the fractional partial differential equation of interest. This limiting procedure guarantees the consistency of the numerical scheme. The positivity of the solution and stability results are simply obtained, provided that the underlying process is well posed. We also showmore » that the method can be applied to standard reaction–diffusion equations. This work highlights the broader applicability of using discrete stochastic processes to provide numerical schemes for partial differential equations, including fractional partial differential equations.« less

Effect of pore architecture on oxygen diffusion in 3D scaffolds for tissue engineering.

PubMed

Ahn, Geunseon; Park, Jeong Hun; Kang, Taeyun; Lee, Jin Woo; Kang, Hyun-Wook; Cho, Dong-Woo

2010-10-01

The aim of this study was to maximize oxygen diffusion within a three-dimensional scaffold in order to improve cell viability and proliferation. To evaluate the effect of pore architecture on oxygen diffusion, we designed a regular channel shape with uniform diameter, referred to as cylinder shaped, and a new channel shape with a channel diameter gradient, referred to as cone shaped. A numerical analysis predicted higher oxygen concentration in the cone-shaped channels than in the cylinder-shaped channels, throughout the scaffold. To confirm these numerical results, we examined cell proliferation and viability in 2D constructs and 3D scaffolds. Cell culture experiments revealed that cell proliferation and viability were superior in the constructs and scaffolds with cone-shaped channels.

Temporal behaviour of a corner separation in a radial vaned diffuser of a centrifugal compressor operating near surge

NASA Astrophysics Data System (ADS)

Marsan, A.; Trébinjac, I.; Coste, S.; Leroy, G.

2013-12-01

The temporal behaviour of a flow separation in the hub-suction side corner of a transonic diffuser is studied thanks to unsteady numerical simulations based on the phase-lagged approach. The validity of the numerical results is confirmed by comparison with experimental unsteady pressure measurements. An analysis of the instantaneous skin-friction pattern and particles trajectories is presented. It highlights the topology of the separation and its temporal behaviour. The major result is that, despite of a highly time-dependent core flow, the separation is found to be a "fixed unsteady separation" characterized by a fixed location of the main saddle of the separation but an extent of the stall region modulated by the pressure waves induced by the impeller-diffuser interaction.

Parametric spatiotemporal oscillation in reaction-diffusion systems.

PubMed

Ghosh, Shyamolina; Ray, Deb Shankar

2016-03-01

We consider a reaction-diffusion system in a homogeneous stable steady state. On perturbation by a time-dependent sinusoidal forcing of a suitable scaling parameter the system exhibits parametric spatiotemporal instability beyond a critical threshold frequency. We have formulated a general scheme to calculate the threshold condition for oscillation and the range of unstable spatial modes lying within a V-shaped region reminiscent of Arnold's tongue. Full numerical simulations show that depending on the specificity of nonlinearity of the models, the instability may result in time-periodic stationary patterns in the form of standing clusters or spatially localized breathing patterns with characteristic wavelengths. Our theoretical analysis of the parametric oscillation in reaction-diffusion system is corroborated by full numerical simulation of two well-known chemical dynamical models: chlorite-iodine-malonic acid and Briggs-Rauscher reactions.

Parametric spatiotemporal oscillation in reaction-diffusion systems

NASA Astrophysics Data System (ADS)

Ghosh, Shyamolina; Ray, Deb Shankar

2016-03-01

We consider a reaction-diffusion system in a homogeneous stable steady state. On perturbation by a time-dependent sinusoidal forcing of a suitable scaling parameter the system exhibits parametric spatiotemporal instability beyond a critical threshold frequency. We have formulated a general scheme to calculate the threshold condition for oscillation and the range of unstable spatial modes lying within a V-shaped region reminiscent of Arnold's tongue. Full numerical simulations show that depending on the specificity of nonlinearity of the models, the instability may result in time-periodic stationary patterns in the form of standing clusters or spatially localized breathing patterns with characteristic wavelengths. Our theoretical analysis of the parametric oscillation in reaction-diffusion system is corroborated by full numerical simulation of two well-known chemical dynamical models: chlorite-iodine-malonic acid and Briggs-Rauscher reactions.

A numerical solution for a variable-order reaction-diffusion model by using fractional derivatives with non-local and non-singular kernel

NASA Astrophysics Data System (ADS)

Coronel-Escamilla, A.; Gómez-Aguilar, J. F.; Torres, L.; Escobar-Jiménez, R. F.

2018-02-01

A reaction-diffusion system can be represented by the Gray-Scott model. The reaction-diffusion dynamic is described by a pair of time and space dependent Partial Differential Equations (PDEs). In this paper, a generalization of the Gray-Scott model by using variable-order fractional differential equations is proposed. The variable-orders were set as smooth functions bounded in (0 , 1 ] and, specifically, the Liouville-Caputo and the Atangana-Baleanu-Caputo fractional derivatives were used to express the time differentiation. In order to find a numerical solution of the proposed model, the finite difference method together with the Adams method were applied. The simulations results showed the chaotic behavior of the proposed model when different variable-orders are applied.

Modeling boundary measurements of scattered light using the corrected diffusion approximation

PubMed Central

Lehtikangas, Ossi; Tarvainen, Tanja; Kim, Arnold D.

2012-01-01

We study the modeling and simulation of steady-state measurements of light scattered by a turbid medium taken at the boundary. In particular, we implement the recently introduced corrected diffusion approximation in two spatial dimensions to model these boundary measurements. This implementation uses expansions in plane wave solutions to compute boundary conditions and the additive boundary layer correction, and a finite element method to solve the diffusion equation. We show that this corrected diffusion approximation models boundary measurements substantially better than the standard diffusion approximation in comparison to numerical solutions of the radiative transport equation. PMID:22435102

Variable-order fractional MSD function to describe the evolution of protein lateral diffusion ability in cell membranes

NASA Astrophysics Data System (ADS)

Yin, Deshun; Qu, Pengfei

2018-02-01

Protein lateral diffusion is considered anomalous in the plasma membrane. And this diffusion is related to membrane microstructure. In order to better describe the property of protein lateral diffusion and find out the inner relationship between protein lateral diffusion and membrane microstructure, this article applies variable-order fractional mean square displacement (f-MSD) function for characterizing the anomalous diffusion. It is found that the variable order can reflect the evolution of diffusion ability. The results of numerical simulation demonstrate variable-order f-MSD function can predict the tendency of anomalous diffusion during the process of confined diffusion. It is also noted that protein lateral diffusion ability during the processes of confined and hop diffusion can be split into three parts. In addition, the comparative analyses reveal that the variable order is related to the confinement-domain size and microstructure of compartment boundary too.

Portable Integrated Wireless Device Threat Assessment to Aircraft Radio Systems

NASA Technical Reports Server (NTRS)

Salud, Maria Theresa P.; Williams, Reuben A. (Technical Monitor)

2004-01-01

An assessment was conducted on multiple wireless local area network (WLAN) devices using the three wireless standards for spurious radiated emissions to determine their threat to aircraft radio navigation systems. The measurement process, data and analysis are provided for devices tested using IEEE 802.11a, IEEE 802.11b, and Bluetooth as well as data from portable laptops/tablet PCs and PDAs (grouping known as PEDs). A comparison was made between wireless LAN devices and portable electronic devices. Spurious radiated emissions were investigated in the radio frequency bands for the following aircraft systems: Instrument Landing System Localizer and Glideslope, Very High Frequency (VHF) Communication, VHF Omnidirectional Range, Traffic Collision Avoidance System, Air Traffic Control Radar Beacon System, Microwave Landing System and Global Positioning System. Since several of the contiguous navigation systems were grouped under one encompassing measurement frequency band, there were five measurement frequency bands where spurious radiated emissions data were collected for the PEDs and WLAN devices. The report also provides a comparison between emissions data and regulatory emission limit.

Relationship between sampling volume of primary serum tubes and spurious hemolysis.

PubMed

Lippi, Giuseppe; Musa, Roberta; Battistelli, Luisita; Cervellin, Gianfranco

2012-01-01

We planned a study to establish whether spurious hemolysis may be present in low volume tubes or partially filled tubes. Four serum tubes were collected in sequence from 20 healthy volunteers, i.e., 4.0 mL, 13 x 75 mm (discard tube), 6.0 mL, 13 x 100 mm half-filled, 4.0 mL, 13 x 75 mm full-draw and 6.0 mL, 13 x 100 mm full-draw. Serum was separated and immediately tested for hemolysis index (HI), potassium, aspartate aminotransferase (AST), and lactate dehydrogenase (LDH). The HI always remained below the limit of detection of the method (< 0.5 g/L) in all tubes. No statistically significant differences were recorded in any parameter except potassium, which increased by 0.10 mmol/L in 4 mL full-draw tubes. No clinically significant variation was however recorded in any tube. The results suggest that all types of tubes tested might be used interchangeably in term of risk of spurious hemolysis.

Fine-scale patterns of population stratification confound rare variant association tests.

PubMed

O'Connor, Timothy D; Kiezun, Adam; Bamshad, Michael; Rich, Stephen S; Smith, Joshua D; Turner, Emily; Leal, Suzanne M; Akey, Joshua M

2013-01-01

Advances in next-generation sequencing technology have enabled systematic exploration of the contribution of rare variation to Mendelian and complex diseases. Although it is well known that population stratification can generate spurious associations with common alleles, its impact on rare variant association methods remains poorly understood. Here, we performed exhaustive coalescent simulations with demographic parameters calibrated from exome sequence data to evaluate the performance of nine rare variant association methods in the presence of fine-scale population structure. We find that all methods have an inflated spurious association rate for parameter values that are consistent with levels of differentiation typical of European populations. For example, at a nominal significance level of 5%, some test statistics have a spurious association rate as high as 40%. Finally, we empirically assess the impact of population stratification in a large data set of 4,298 European American exomes. Our results have important implications for the design, analysis, and interpretation of rare variant genome-wide association studies.

Intragenic DNA methylation prevents spurious transcription initiation.

PubMed

Neri, Francesco; Rapelli, Stefania; Krepelova, Anna; Incarnato, Danny; Parlato, Caterina; Basile, Giulia; Maldotti, Mara; Anselmi, Francesca; Oliviero, Salvatore

2017-03-02

In mammals, DNA methylation occurs mainly at CpG dinucleotides. Methylation of the promoter suppresses gene expression, but the functional role of gene-body DNA methylation in highly expressed genes has yet to be clarified. Here we show that, in mouse embryonic stem cells, Dnmt3b-dependent intragenic DNA methylation protects the gene body from spurious RNA polymerase II entry and cryptic transcription initiation. Using different genome-wide approaches, we demonstrate that this Dnmt3b function is dependent on its enzymatic activity and recruitment to the gene body by H3K36me3. Furthermore, the spurious transcripts can either be degraded by the RNA exosome complex or capped, polyadenylated, and delivered to the ribosome to produce aberrant proteins. Elongating RNA polymerase II therefore triggers an epigenetic crosstalk mechanism that involves SetD2, H3K36me3, Dnmt3b and DNA methylation to ensure the fidelity of gene transcription initiation, with implications for intragenic hypomethylation in cancer.

Numerical approach to describe complementary drying of banana slices osmotically dehydrated

NASA Astrophysics Data System (ADS)

da Silva Júnior, Aluízio Freire; da Silva, Wilton Pereira; de Farias Aires, Juarez Everton; Farias Aires, Kalina Lígia C. A.

2018-02-01

In this work, diffusion model was used to describe the water loss in the complementary drying process of cylindrical slices of banana pretreated by osmotic dehydration. A numerical solution has been proposed for the diffusion equation in cylindrical coordinates, which was obtained through the Finite Volume Method. The diffusion equation was discretized assuming that the effective water diffusivity and the dimensions of a finite cylinder may vary; also considering the boundary condition of the third kind. The banana slices were cut in length of about 1.00 cm and average radius 1.70 cm before osmotic pretreatment, and completed the pretreatment with length of about 0.74 cm and average radius 1.40 cm. The complementary drying was carried out in a kiln with circulation and air exchange. Drying temperatures were the same as used in the osmotic pretreatment (40 to 70 °C). The proposed model described well the water loss, with good statistical indicators for all fits.

Thermal Property Measurement of Semiconductor Melt using Modified Laser Flash Method

NASA Technical Reports Server (NTRS)

Lin, Bochuan; Zhu, Shen; Ban, Heng; Li, Chao; Scripa, Rosalla N.; Su, Ching-Hua; Lehoczky, Sandor L.

2003-01-01

This study further developed standard laser flash method to measure multiple thermal properties of semiconductor melts. The modified method can determine thermal diffusivity, thermal conductivity, and specific heat capacity of the melt simultaneously. The transient heat transfer process in the melt and its quartz container was numerically studied in detail. A fitting procedure based on numerical simulation results and the least root-mean-square error fitting to the experimental data was used to extract the values of specific heat capacity, thermal conductivity and thermal diffusivity. This modified method is a step forward from the standard laser flash method, which is usually used to measure thermal diffusivity of solids. The result for tellurium (Te) at 873 K: specific heat capacity 300.2 Joules per kilogram K, thermal conductivity 3.50 Watts per meter K, thermal diffusivity 2.04 x 10(exp -6) square meters per second, are within the range reported in literature. The uncertainty analysis showed the quantitative effect of sample geometry, transient temperature measured, and the energy of the laser pulse.

Homogenization of a Directed Dispersal Model for Animal Movement in a Heterogeneous Environment.

PubMed

Yurk, Brian P

2016-10-01

The dispersal patterns of animals moving through heterogeneous environments have important ecological and epidemiological consequences. In this work, we apply the method of homogenization to analyze an advection-diffusion (AD) model of directed movement in a one-dimensional environment in which the scale of the heterogeneity is small relative to the spatial scale of interest. We show that the large (slow) scale behavior is described by a constant-coefficient diffusion equation under certain assumptions about the fast-scale advection velocity, and we determine a formula for the slow-scale diffusion coefficient in terms of the fast-scale parameters. We extend the homogenization result to predict invasion speeds for an advection-diffusion-reaction (ADR) model with directed dispersal. For periodic environments, the homogenization approximation of the solution of the AD model compares favorably with numerical simulations. Invasion speed approximations for the ADR model also compare favorably with numerical simulations when the spatial period is sufficiently small.

Time-dependent transport of energetic particles in magnetic turbulence: computer simulations versus analytical theory

NASA Astrophysics Data System (ADS)

Arendt, V.; Shalchi, A.

2018-06-01

We explore numerically the transport of energetic particles in a turbulent magnetic field configuration. A test-particle code is employed to compute running diffusion coefficients as well as particle distribution functions in the different directions of space. Our numerical findings are compared with models commonly used in diffusion theory such as Gaussian distribution functions and solutions of the cosmic ray Fokker-Planck equation. Furthermore, we compare the running diffusion coefficients across the mean magnetic field with solutions obtained from the time-dependent version of the unified non-linear transport theory. In most cases we find that particle distribution functions are indeed of Gaussian form as long as a two-component turbulence model is employed. For turbulence setups with reduced dimensionality, however, the Gaussian distribution can no longer be obtained. It is also shown that the unified non-linear transport theory agrees with simulated perpendicular diffusion coefficients as long as the pure two-dimensional model is excluded.

A thermodynamically consistent model of magneto-elastic materials under diffusion at large strains and its analysis

NASA Astrophysics Data System (ADS)

Roubíček, Tomáš; Tomassetti, Giuseppe

2018-06-01

A theory of elastic magnets is formulated under possible diffusion and heat flow governed by Fick's and Fourier's laws in the deformed (Eulerian) configuration, respectively. The concepts of nonlocal nonsimple materials and viscous Cahn-Hilliard equations are used. The formulation of the problem uses Lagrangian (reference) configuration while the transport processes are pulled back. Except the static problem, the demagnetizing energy is ignored and only local non-self-penetration is considered. The analysis as far as existence of weak solutions of the (thermo) dynamical problem is performed by a careful regularization and approximation by a Galerkin method, suggesting also a numerical strategy. Either ignoring or combining particular aspects, the model has numerous applications as ferro-to-paramagnetic transformation in elastic ferromagnets, diffusion of solvents in polymers possibly accompanied by magnetic effects (magnetic gels), or metal-hydride phase transformation in some intermetallics under diffusion of hydrogen accompanied possibly by magnetic effects (and in particular ferro-to-antiferromagnetic phase transformation), all in the full thermodynamical context under large strains.

Analytical and numerical solutions for mass diffusion in a composite cylindrical body

NASA Astrophysics Data System (ADS)

Kumar, A.

1980-12-01

The analytical and numerical solution techniques were investigated to study moisture diffusion problems in cylindrical bodies that are assumed to be composed of a finite number of layers of different materials. A generalized diffusion model for an n-layer cylindrical body with discontinuous moisture content at the interfaces was developed and the formal solutions were obtained. The model is to be used for describing mass transfer rates of any composite body, such as an ear of corn which could be assumed of consisting two different layers: the inner core represents the woody cob and the outer cylinder represents the kernel layer. Data describing the fully exposed drying characteristics of ear corn at high air velocity were obtained under different drying conditions. Ear corns were modeled as homogeneous bodies since composite model did not improve the fit substantially. A computer program using multidimensional optimization technique showed that diffusivity was an exponential function of moisture content and an arrhenius function of temperature of drying air.

Random walk numerical simulation for hopping transport at finite carrier concentrations: diffusion coefficient and transport energy concept.

PubMed

Gonzalez-Vazquez, J P; Anta, Juan A; Bisquert, Juan

2009-11-28

The random walk numerical simulation (RWNS) method is used to compute diffusion coefficients for hopping transport in a fully disordered medium at finite carrier concentrations. We use Miller-Abrahams jumping rates and an exponential distribution of energies to compute the hopping times in the random walk simulation. The computed diffusion coefficient shows an exponential dependence with respect to Fermi-level and Arrhenius behavior with respect to temperature. This result indicates that there is a well-defined transport level implicit to the system dynamics. To establish the origin of this transport level we construct histograms to monitor the energies of the most visited sites. In addition, we construct "corrected" histograms where backward moves are removed. Since these moves do not contribute to transport, these histograms provide a better estimation of the effective transport level energy. The analysis of this concept in connection with the Fermi-level dependence of the diffusion coefficient and the regime of interest for the functioning of dye-sensitised solar cells is thoroughly discussed.

Numerical simulation model of hyperacute/acute stage white matter infarction.

PubMed

Sakai, Koji; Yamada, Kei; Oouchi, Hiroyuki; Nishimura, Tsunehiko

2008-01-01

Although previous studies have revealed the mechanisms of changes in diffusivity (apparent diffusion coefficient [ADC]) in acute brain infarction, changes in diffusion anisotropy (fractional anisotropy [FA]) in white matter have not been examined. We hypothesized that membrane permeability as well as axonal swelling play important roles, and we therefore constructed a simulation model using random walk simulation to replicate the diffusion of water molecules. We implemented a numerical diffusion simulation model of normal and infarcted human brains using C++ language. We constructed this 2-pool model using simple tubes aligned in a single direction. Random walk simulation diffused water. Axon diameters and membrane permeability were then altered in step-wise fashion. To estimate the effects of axonal swelling, axon diameters were changed from 6 to 10 microm. Membrane permeability was altered from 0% to 40%. Finally, both elements were combined to explain increasing FA in the hyperacute stage of white matter infarction. The simulation demonstrated that simple water shift into the intracellular space reduces ADC and increases FA, but not to the extent expected from actual human cases (ADC approximately 50%; FA approximately +20%). Similarly, membrane permeability alone was insufficient to explain this phenomenon. However, a combination of both factors successfully replicated changes in diffusivity indices. Both axonal swelling and reduced membrane permeability appear important in explaining changes in ADC and FA based on eigenvalues in hyperacute-stage white matter infarction.

A Robust and Efficient Method for Steady State Patterns in Reaction-Diffusion Systems

PubMed Central

Lo, Wing-Cheong; Chen, Long; Wang, Ming; Nie, Qing

2012-01-01

An inhomogeneous steady state pattern of nonlinear reaction-diffusion equations with no-flux boundary conditions is usually computed by solving the corresponding time-dependent reaction-diffusion equations using temporal schemes. Nonlinear solvers (e.g., Newton’s method) take less CPU time in direct computation for the steady state; however, their convergence is sensitive to the initial guess, often leading to divergence or convergence to spatially homogeneous solution. Systematically numerical exploration of spatial patterns of reaction-diffusion equations under different parameter regimes requires that the numerical method be efficient and robust to initial condition or initial guess, with better likelihood of convergence to an inhomogeneous pattern. Here, a new approach that combines the advantages of temporal schemes in robustness and Newton’s method in fast convergence in solving steady states of reaction-diffusion equations is proposed. In particular, an adaptive implicit Euler with inexact solver (AIIE) method is found to be much more efficient than temporal schemes and more robust in convergence than typical nonlinear solvers (e.g., Newton’s method) in finding the inhomogeneous pattern. Application of this new approach to two reaction-diffusion equations in one, two, and three spatial dimensions, along with direct comparisons to several other existing methods, demonstrates that AIIE is a more desirable method for searching inhomogeneous spatial patterns of reaction-diffusion equations in a large parameter space. PMID:22773849

On-the-fly reduction of open loops

NASA Astrophysics Data System (ADS)

Buccioni, Federico; Pozzorini, Stefano; Zoller, Max

2018-01-01

Building on the open-loop algorithm we introduce a new method for the automated construction of one-loop amplitudes and their reduction to scalar integrals. The key idea is that the factorisation of one-loop integrands in a product of loop segments makes it possible to perform various operations on-the-fly while constructing the integrand. Reducing the integrand on-the-fly, after each segment multiplication, the construction of loop diagrams and their reduction are unified in a single numerical recursion. In this way we entirely avoid objects with high tensor rank, thereby reducing the complexity of the calculations in a drastic way. Thanks to the on-the-fly approach, which is applied also to helicity summation and for the merging of different diagrams, the speed of the original open-loop algorithm can be further augmented in a very significant way. Moreover, addressing spurious singularities of the employed reduction identities by means of simple expansions in rank-two Gram determinants, we achieve a remarkably high level of numerical stability. These features of the new algorithm, which will be made publicly available in a forthcoming release of the OpenLoops program, are particularly attractive for NLO multi-leg and NNLO real-virtual calculations.

Ancient numerical daemons of conceptual hydrological modeling: 2. Impact of time stepping schemes on model analysis and prediction

NASA Astrophysics Data System (ADS)

Kavetski, Dmitri; Clark, Martyn P.

2010-10-01

Despite the widespread use of conceptual hydrological models in environmental research and operations, they remain frequently implemented using numerically unreliable methods. This paper considers the impact of the time stepping scheme on model analysis (sensitivity analysis, parameter optimization, and Markov chain Monte Carlo-based uncertainty estimation) and prediction. It builds on the companion paper (Clark and Kavetski, 2010), which focused on numerical accuracy, fidelity, and computational efficiency. Empirical and theoretical analysis of eight distinct time stepping schemes for six different hydrological models in 13 diverse basins demonstrates several critical conclusions. (1) Unreliable time stepping schemes, in particular, fixed-step explicit methods, suffer from troublesome numerical artifacts that severely deform the objective function of the model. These deformations are not rare isolated instances but can arise in any model structure, in any catchment, and under common hydroclimatic conditions. (2) Sensitivity analysis can be severely contaminated by numerical errors, often to the extent that it becomes dominated by the sensitivity of truncation errors rather than the model equations. (3) Robust time stepping schemes generally produce "better behaved" objective functions, free of spurious local optima, and with sufficient numerical continuity to permit parameter optimization using efficient quasi Newton methods. When implemented within a multistart framework, modern Newton-type optimizers are robust even when started far from the optima and provide valuable diagnostic insights not directly available from evolutionary global optimizers. (4) Unreliable time stepping schemes lead to inconsistent and biased inferences of the model parameters and internal states. (5) Even when interactions between hydrological parameters and numerical errors provide "the right result for the wrong reason" and the calibrated model performance appears adequate, unreliable time stepping schemes make the model unnecessarily fragile in predictive mode, undermining validation assessments and operational use. Erroneous or misleading conclusions of model analysis and prediction arising from numerical artifacts in hydrological models are intolerable, especially given that robust numerics are accepted as mainstream in other areas of science and engineering. We hope that the vivid empirical findings will encourage the conceptual hydrological community to close its Pandora's box of numerical problems, paving the way for more meaningful model application and interpretation.

Numerical calculation of protein-ligand binding rates through solution of the Smoluchowski equation using smoothed particle hydrodynamics

DOE PAGES

Pan, Wenxiao; Daily, Michael; Baker, Nathan A.

2015-05-07

Background: The calculation of diffusion-controlled ligand binding rates is important for understanding enzyme mechanisms as well as designing enzyme inhibitors. Methods: We demonstrate the accuracy and effectiveness of a Lagrangian particle-based method, smoothed particle hydrodynamics (SPH), to study diffusion in biomolecular systems by numerically solving the time-dependent Smoluchowski equation for continuum diffusion. Unlike previous studies, a reactive Robin boundary condition (BC), rather than the absolute absorbing (Dirichlet) BC, is considered on the reactive boundaries. This new BC treatment allows for the analysis of enzymes with “imperfect” reaction rates. Results: The numerical method is first verified in simple systems and thenmore » applied to the calculation of ligand binding to a mouse acetylcholinesterase (mAChE) monomer. Rates for inhibitor binding to mAChE are calculated at various ionic strengths and compared with experiment and other numerical methods. We find that imposition of the Robin BC improves agreement between calculated and experimental reaction rates. Conclusions: Although this initial application focuses on a single monomer system, our new method provides a framework to explore broader applications of SPH in larger-scale biomolecular complexes by taking advantage of its Lagrangian particle-based nature.« less

A novel finite volume discretization method for advection-diffusion systems on stretched meshes

NASA Astrophysics Data System (ADS)

Merrick, D. G.; Malan, A. G.; van Rooyen, J. A.

2018-06-01

This work is concerned with spatial advection and diffusion discretization technology within the field of Computational Fluid Dynamics (CFD). In this context, a novel method is proposed, which is dubbed the Enhanced Taylor Advection-Diffusion (ETAD) scheme. The model equation employed for design of the scheme is the scalar advection-diffusion equation, the industrial application being incompressible laminar and turbulent flow. Developed to be implementable into finite volume codes, ETAD places specific emphasis on improving accuracy on stretched structured and unstructured meshes while considering both advection and diffusion aspects in a holistic manner. A vertex-centered structured and unstructured finite volume scheme is used, and only data available on either side of the volume face is employed. This includes the addition of a so-called mesh stretching metric. Additionally, non-linear blending with the existing NVSF scheme was performed in the interest of robustness and stability, particularly on equispaced meshes. The developed scheme is assessed in terms of accuracy - this is done analytically and numerically, via comparison to upwind methods which include the popular QUICK and CUI techniques. Numerical tests involved the 1D scalar advection-diffusion equation, a 2D lid driven cavity and turbulent flow case. Significant improvements in accuracy were achieved, with L2 error reductions of up to 75%.

Diffusive instabilities in a hyperbolic activator-inhibitor system with superdiffusion

NASA Astrophysics Data System (ADS)

Mvogo, Alain; Macías-Díaz, Jorge E.; Kofané, Timoléon Crépin

2018-03-01

We investigate analytically and numerically the conditions for wave instabilities in a hyperbolic activator-inhibitor system with species undergoing anomalous superdiffusion. In the present work, anomalous superdiffusion is modeled using the two-dimensional Weyl fractional operator, with derivative orders α ∈ [1,2]. We perform a linear stability analysis and derive the conditions for diffusion-driven wave instabilities. Emphasis is placed on the effect of the superdiffusion exponent α , the diffusion ratio d , and the inertial time τ . As the superdiffusive exponent increases, so does the wave number of the Turing instability. Opposite to the requirement for Turing instability, the activator needs to diffuse sufficiently faster than the inhibitor in order for the wave instability to occur. The critical wave number for wave instability decreases with the superdiffusive exponent and increases with the inertial time. The maximum value of the inertial time for a wave instability to occur in the system is τmax=3.6 . As one of the main results of this work, we conclude that both anomalous diffusion and inertial time influence strongly the conditions for wave instabilities in hyperbolic fractional reaction-diffusion systems. Some numerical simulations are conducted as evidence of the analytical predictions derived in this work.

Dissipative particle dynamics study of velocity autocorrelation function and self-diffusion coefficient in terms of interaction potential strength

NASA Astrophysics Data System (ADS)

Zohravi, Elnaz; Shirani, Ebrahim; Pishevar, Ahmadreza; Karimpour, Hossein

2018-07-01

This research focuses on numerically investigating the self-diffusion coefficient and velocity autocorrelation function (VACF) of a dissipative particle dynamics (DPD) fluid as a function of the conservative interaction strength. Analytic solutions to VACF and self-diffusion coefficients in DPD were obtained by many researchers in some restricted cases including ideal gases, without the account of conservative force. As departure from the ideal gas conditions are accentuated with increasing the relative proportion of conservative force, it is anticipated that the VACF should gradually deviate from its normally expected exponentially decay. This trend is confirmed through numerical simulations and an expression in terms of the conservative force parameter, density and temperature is proposed for the self-diffusion coefficient. As it concerned the VACF, the equivalent Langevin equation describing Brownian motion of particles with a harmonic potential is adapted to the problem and reveals an exponentially decaying oscillatory pattern influenced by the conservative force parameter, dissipative parameter and temperature. Although the proposed model for obtaining the self-diffusion coefficient with consideration of the conservative force could not be verified due to computational complexities, nonetheless the Arrhenius dependency of the self-diffusion coefficient to temperature and pressure permits to certify our model over a definite range of DPD parameters.

Turbulent Flame Processes Via Diffusion Flame-Vortex Ring Interactions

NASA Technical Reports Server (NTRS)

Dahm, Werner J. A.; Chen, Shin-Juh; Silver, Joel A.; Piltch, Nancy D.; VanderWal, Randall L.

2001-01-01

Flame-vortex interactions are canonical configurations that can be used to study the underlying processes occurring in turbulent reacting flows. This configuration contains many of the fundamental aspects of the coupling between fluid dynamics and combustion that could be investigated with more controllable conditions than are possible under direct investigations of turbulent flames. Diffusion flame-vortex ring interaction contains many of the fundamental elements of flow, transport, combustion, and soot processes found in turbulent diffusion flames. Some of these elements include concentrated vorticity, entrainment and mixing, strain and nonequilibrium phenomena, diffusion and differential diffusion, partial premixing and diluent effects, soot formation and oxidation, and heat release effects. Such simplified flowfield allows the complex processes to be examined more closely and yet preserving the physical processes present in turbulent reacting flows. Furthermore, experimental results from the study of flame-vortex interactions are useful for the validation of numerical simulations and more importantly to deepen our understanding of the fundamental processes present in reacting flows. Experimental and numerical results obtained under microgravity conditions of the diffusion flame-vortex ring interaction are summarized in this paper. Results are obtained using techniques that include Flame Luminosity Imaging (FLI), Laser Soot-Mie Scattering (LSMS), Computational Fluid Dynamics and Combustion (CFDC), and Diode Laser Spectroscopy/Iterative Temperature with Assumed Chemistry (DLS/ITAC).

Numerical simulations of short-mixing-time double-wave-vector diffusion-weighting experiments with multiple concatenations on whole-body MR systems

NASA Astrophysics Data System (ADS)

Finsterbusch, Jürgen

2010-12-01

Double- or two-wave-vector diffusion-weighting experiments with short mixing times in which two diffusion-weighting periods are applied in direct succession, are a promising tool to estimate cell sizes in the living tissue. However, the underlying effect, a signal difference between parallel and antiparallel wave vector orientations, is considerably reduced for the long gradient pulses required on whole-body MR systems. Recently, it has been shown that multiple concatenations of the two wave vectors in a single acquisition can double the modulation amplitude if short gradient pulses are used. In this study, numerical simulations of such experiments were performed with parameters achievable with whole-body MR systems. It is shown that the theoretical model yields a good approximation of the signal behavior if an additional term describing free diffusion is included. More importantly, it is demonstrated that the shorter gradient pulses sufficient to achieve the desired diffusion weighting for multiple concatenations, increase the signal modulation considerably, e.g. by a factor of about five for five concatenations. Even at identical echo times, achieved by a shortened diffusion time, a moderate number of concatenations significantly improves the signal modulation. Thus, experiments on whole-body MR systems may benefit from multiple concatenations.

An investigation of the information propagation and entropy transport aspects of Stirling machine numerical simulation

NASA Technical Reports Server (NTRS)

Goldberg, Louis F.

1992-01-01

Aspects of the information propagation modeling behavior of integral machine computer simulation programs are investigated in terms of a transmission line. In particular, the effects of pressure-linking and temporal integration algorithms on the amplitude ratio and phase angle predictions are compared against experimental and closed-form analytic data. It is concluded that the discretized, first order conservation balances may not be adequate for modeling information propagation effects at characteristic numbers less than about 24. An entropy transport equation suitable for generalized use in Stirling machine simulation is developed. The equation is evaluated by including it in a simulation of an incompressible oscillating flow apparatus designed to demonstrate the effect of flow oscillations on the enhancement of thermal diffusion. Numerical false diffusion is found to be a major factor inhibiting validation of the simulation predictions with experimental and closed-form analytic data. A generalized false diffusion correction algorithm is developed which allows the numerical results to match their analytic counterparts. Under these conditions, the simulation yields entropy predictions which satisfy Clausius' inequality.

Impact of the "Symmetric Instability of the Computational Kind" at mesoscale- and submesoscale-permitting resolutions

NASA Astrophysics Data System (ADS)

Ducousso, Nicolas; Le Sommer, J.; Molines, J.-M.; Bell, M.

2017-12-01

The energy- and enstrophy-conserving momentum advection scheme (EEN) used over the last 10 years in NEMO is subject to a spurious numerical instability. This instability, referred to as the Symmetric Instability of the Computational Kind (SICK), arises from a discrete imbalance between the two components of the vector-invariant form of momentum advection. The properties and the method for removing this instability have been documented by Hollingsworth et al. (1983), but the extent to which the SICK may interfere with processes of interest at mesoscale- and submesoscale-permitting resolutions is still unkown. In this paper, the impact of the SICK in realistic ocean model simulations is assessed by comparing model integrations with different versions of the EEN momentum advection scheme. Investigations are undertaken with a global mesoscale-permitting resolution (1/4 °) configuration and with a regional North Atlantic Ocean submesoscale-permitting resolution (1/60 °) configuration. At both resolutions, the instability is found to alter primarily the most energetic current systems, such as equatorial jets, western boundary currents and coherent vortices. The impact of the SICK is found to increase with model resolution with a noticeable impact at mesoscale-permitting resolution and a dramatic impact at submesoscale-permitting resolution. The SICK is shown to distort the normal functioning of current systems, by redirecting the slow energy transfer between balanced motions to a spurious energy transfer to internal inertia-gravity waves and to dissipation. Our results indicate that the SICK is likely to have significantly corrupted NEMO solutions (when run with the EEN scheme) at mesocale-permitting and finer resolutions over the last 10 years.

Importance of elastic finite-size effects: Neutral defects in ionic compounds

DOE PAGES

Burr, P. A.; Cooper, M. W. D.

2017-09-15

Small system sizes are a well known source of error in DFT calculations, yet computational constraints frequently dictate the use of small supercells, often as small as 96 atoms in oxides and compound semiconductors. In ionic compounds, electrostatic finite size effects have been well characterised, but self-interaction of charge neutral defects is often discounted or assumed to follow an asymptotic behaviour and thus easily corrected with linear elastic theory. Here we show that elastic effect are also important in the description of defects in ionic compounds and can lead to qualitatively incorrect conclusions if inadequatly small supercells are used; moreover,more » the spurious self-interaction does not follow the behaviour predicted by linear elastic theory. Considering the exemplar cases of metal oxides with fluorite structure, we show that numerous previous studies, employing 96-atom supercells, misidentify the ground state structure of (charge neutral) Schottky defects. We show that the error is eliminated by employing larger cells (324, 768 and 1500 atoms), and careful analysis determines that elastic effects, not electrostatic, are responsible. The spurious self-interaction was also observed in non-oxide ionic compounds and irrespective of the computational method used, thereby resolving long standing discrepancies between DFT and force-field methods, previously attributed to the level of theory. The surprising magnitude of the elastic effects are a cautionary tale for defect calculations in ionic materials, particularly when employing computationally expensive methods (e.g. hybrid functionals) or when modelling large defect clusters. We propose two computationally practicable methods to test the magnitude of the elastic self-interaction in any ionic system. In commonly studies oxides, where electrostatic effects would be expected to be dominant, it is the elastic effects that dictate the need for larger supercells | greater than 96 atoms.« less

Importance of elastic finite-size effects: Neutral defects in ionic compounds

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

Burr, P. A.; Cooper, M. W. D.

Small system sizes are a well known source of error in DFT calculations, yet computational constraints frequently dictate the use of small supercells, often as small as 96 atoms in oxides and compound semiconductors. In ionic compounds, electrostatic finite size effects have been well characterised, but self-interaction of charge neutral defects is often discounted or assumed to follow an asymptotic behaviour and thus easily corrected with linear elastic theory. Here we show that elastic effect are also important in the description of defects in ionic compounds and can lead to qualitatively incorrect conclusions if inadequatly small supercells are used; moreover,more » the spurious self-interaction does not follow the behaviour predicted by linear elastic theory. Considering the exemplar cases of metal oxides with fluorite structure, we show that numerous previous studies, employing 96-atom supercells, misidentify the ground state structure of (charge neutral) Schottky defects. We show that the error is eliminated by employing larger cells (324, 768 and 1500 atoms), and careful analysis determines that elastic effects, not electrostatic, are responsible. The spurious self-interaction was also observed in non-oxide ionic compounds and irrespective of the computational method used, thereby resolving long standing discrepancies between DFT and force-field methods, previously attributed to the level of theory. The surprising magnitude of the elastic effects are a cautionary tale for defect calculations in ionic materials, particularly when employing computationally expensive methods (e.g. hybrid functionals) or when modelling large defect clusters. We propose two computationally practicable methods to test the magnitude of the elastic self-interaction in any ionic system. In commonly studies oxides, where electrostatic effects would be expected to be dominant, it is the elastic effects that dictate the need for larger supercells | greater than 96 atoms.« less

Importance of elastic finite-size effects: Neutral defects in ionic compounds

NASA Astrophysics Data System (ADS)

Burr, P. A.; Cooper, M. W. D.

2017-09-01

Small system sizes are a well-known source of error in density functional theory (DFT) calculations, yet computational constraints frequently dictate the use of small supercells, often as small as 96 atoms in oxides and compound semiconductors. In ionic compounds, electrostatic finite-size effects have been well characterized, but self-interaction of charge-neutral defects is often discounted or assumed to follow an asymptotic behavior and thus easily corrected with linear elastic theory. Here we show that elastic effects are also important in the description of defects in ionic compounds and can lead to qualitatively incorrect conclusions if inadequately small supercells are used; moreover, the spurious self-interaction does not follow the behavior predicted by linear elastic theory. Considering the exemplar cases of metal oxides with fluorite structure, we show that numerous previous studies, employing 96-atom supercells, misidentify the ground-state structure of (charge-neutral) Schottky defects. We show that the error is eliminated by employing larger cells (324, 768, and 1500 atoms), and careful analysis determines that elastic, not electrostatic, effects are responsible. The spurious self-interaction was also observed in nonoxide ionic compounds irrespective of the computational method used, thereby resolving long-standing discrepancies between DFT and force-field methods, previously attributed to the level of theory. The surprising magnitude of the elastic effects is a cautionary tale for defect calculations in ionic materials, particularly when employing computationally expensive methods (e.g., hybrid functionals) or when modeling large defect clusters. We propose two computationally practicable methods to test the magnitude of the elastic self-interaction in any ionic system. In commonly studied oxides, where electrostatic effects would be expected to be dominant, it is the elastic effects that dictate the need for larger supercells: greater than 96 atoms.

Sub-cellular localisation studies may spuriously detect the Yes-associated protein, YAP, in nucleoli leading to potentially invalid conclusions of its function.

PubMed

Finch, Megan L; Passman, Adam M; Strauss, Robyn P; Yeoh, George C; Callus, Bernard A

2015-01-01

The Yes-associated protein (YAP) is a potent transcriptional co-activator that functions as a nuclear effector of the Hippo signaling pathway. YAP is oncogenic and its activity is linked to its cellular abundance and nuclear localisation. Activation of the Hippo pathway restricts YAP nuclear entry via its phosphorylation by Lats kinases and consequent cytoplasmic retention bound to 14-3-3 proteins. We examined YAP expression in liver progenitor cells (LPCs) and surprisingly found that transformed LPCs did not show an increase in YAP abundance compared to the non-transformed LPCs from which they were derived. We then sought to ascertain whether nuclear YAP was more abundant in transformed LPCs. We used an antibody that we confirmed was specific for YAP by immunoblotting to determine YAP's sub-cellular localisation by immunofluorescence. This antibody showed diffuse staining for YAP within the cytosol and nuclei, but, noticeably, it showed intense staining of the nucleoli of LPCs. This staining was non-specific, as shRNA treatment of cells abolished YAP expression to undetectable levels by Western blot yet the nucleolar staining remained. Similar spurious YAP nucleolar staining was also seen in mouse embryonic fibroblasts and mouse liver tissue, indicating that this antibody is unsuitable for immunological applications to determine YAP sub-cellular localisation in mouse cells or tissues. Interestingly nucleolar staining was not evident in D645 cells suggesting the antibody may be suitable for use in human cells. Given the large body of published work on YAP in recent years, many of which utilise this antibody, this study raises concerns regarding its use for determining sub-cellular localisation. From a broader perspective, it serves as a timely reminder of the need to perform appropriate controls to ensure the validity of published data.

Sub-Cellular Localisation Studies May Spuriously Detect the Yes-Associated Protein, YAP, in Nucleoli Leading to Potentially Invalid Conclusions of Its Function

PubMed Central

Finch, Megan L.; Passman, Adam M.; Strauss, Robyn P.; Yeoh, George C.; Callus, Bernard A.

2015-01-01

The Yes-associated protein (YAP) is a potent transcriptional co-activator that functions as a nuclear effector of the Hippo signaling pathway. YAP is oncogenic and its activity is linked to its cellular abundance and nuclear localisation. Activation of the Hippo pathway restricts YAP nuclear entry via its phosphorylation by Lats kinases and consequent cytoplasmic retention bound to 14-3-3 proteins. We examined YAP expression in liver progenitor cells (LPCs) and surprisingly found that transformed LPCs did not show an increase in YAP abundance compared to the non-transformed LPCs from which they were derived. We then sought to ascertain whether nuclear YAP was more abundant in transformed LPCs. We used an antibody that we confirmed was specific for YAP by immunoblotting to determine YAP’s sub-cellular localisation by immunofluorescence. This antibody showed diffuse staining for YAP within the cytosol and nuclei, but, noticeably, it showed intense staining of the nucleoli of LPCs. This staining was non-specific, as shRNA treatment of cells abolished YAP expression to undetectable levels by Western blot yet the nucleolar staining remained. Similar spurious YAP nucleolar staining was also seen in mouse embryonic fibroblasts and mouse liver tissue, indicating that this antibody is unsuitable for immunological applications to determine YAP sub-cellular localisation in mouse cells or tissues. Interestingly nucleolar staining was not evident in D645 cells suggesting the antibody may be suitable for use in human cells. Given the large body of published work on YAP in recent years, many of which utilise this antibody, this study raises concerns regarding its use for determining sub-cellular localisation. From a broader perspective, it serves as a timely reminder of the need to perform appropriate controls to ensure the validity of published data. PMID:25658431

Path-length-resolved dynamic light scattering in highly scattering random media: The transition to diffusing wave spectroscopy

NASA Astrophysics Data System (ADS)

Bizheva, Kostadinka K.; Siegel, Andy M.; Boas, David A.

1998-12-01

We used low coherence interferometry to measure Brownian motion within highly scattering random media. A coherence gate was applied to resolve the optical path-length distribution and to separate ballistic from diffusive light. Our experimental analysis provides details on the transition from single scattering to light diffusion and its dependence on the system parameters. We found that the transition to the light diffusion regime occurs at shorter path lengths for media with higher scattering anisotropy or for larger numerical aperture of the focusing optics.

Solution of the nonlinear Poisson-Boltzmann equation: Application to ionic diffusion in cementitious materials

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

Arnold, J.; Kosson, D.S., E-mail: david.s.kosson@vanderbilt.edu; Garrabrants, A.

2013-02-15

A robust numerical solution of the nonlinear Poisson-Boltzmann equation for asymmetric polyelectrolyte solutions in discrete pore geometries is presented. Comparisons to the linearized approximation of the Poisson-Boltzmann equation reveal that the assumptions leading to linearization may not be appropriate for the electrochemical regime in many cementitious materials. Implications of the electric double layer on both partitioning of species and on diffusive release are discussed. The influence of the electric double layer on anion diffusion relative to cation diffusion is examined.

Third order maximum-principle-satisfying direct discontinuous Galerkin methods for time dependent convection diffusion equations on unstructured triangular meshes

DOE PAGES

Chen, Zheng; Huang, Hongying; Yan, Jue

2015-12-21

We develop 3rd order maximum-principle-satisfying direct discontinuous Galerkin methods [8], [9], [19] and [21] for convection diffusion equations on unstructured triangular mesh. We carefully calculate the normal derivative numerical flux across element edges and prove that, with proper choice of parameter pair (β 0,β 1) in the numerical flux formula, the quadratic polynomial solution satisfies strict maximum principle. The polynomial solution is bounded within the given range and third order accuracy is maintained. There is no geometric restriction on the meshes and obtuse triangles are allowed in the partition. As a result, a sequence of numerical examples are carried outmore » to demonstrate the accuracy and capability of the maximum-principle-satisfying limiter.« less

Regimes of stability and scaling relations for the removal time in the asteroid belt: a simple kinetic model and numerical tests

NASA Astrophysics Data System (ADS)

Cubrovic, Mihailo

2005-02-01

We report on our theoretical and numerical results concerning the transport mechanisms in the asteroid belt. We first derive a simple kinetic model of chaotic diffusion and show how it gives rise to some simple correlations (but not laws) between the removal time (the time for an asteroid to experience a qualitative change of dynamical behavior and enter a wide chaotic zone) and the Lyapunov time. The correlations are shown to arise in two different regimes, characterized by exponential and power-law scalings. We also show how is the so-called “stable chaos” (exponential regime) related to anomalous diffusion. Finally, we check our results numerically and discuss their possible applications in analyzing the motion of particular asteroids.

A deterministic particle method for one-dimensional reaction-diffusion equations

NASA Technical Reports Server (NTRS)

Mascagni, Michael

1995-01-01

We derive a deterministic particle method for the solution of nonlinear reaction-diffusion equations in one spatial dimension. This deterministic method is an analog of a Monte Carlo method for the solution of these problems that has been previously investigated by the author. The deterministic method leads to the consideration of a system of ordinary differential equations for the positions of suitably defined particles. We then consider the time explicit and implicit methods for this system of ordinary differential equations and we study a Picard and Newton iteration for the solution of the implicit system. Next we solve numerically this system and study the discretization error both analytically and numerically. Numerical computation shows that this deterministic method is automatically adaptive to large gradients in the solution.

Ignition and structure of a laminar diffusion flame in a compressible mixing layer with finite rate chemistry

NASA Technical Reports Server (NTRS)

Grosch, C. E.; Jackson, T. L.

1991-01-01

The ignition and structure of a reacting compressible mixing layer is considered using finite rate chemistry lying between two streams of reactants with different freestream speeds and temperatures. Numerical integration of the governing equations show that the structure of the reacting flow can be quite complicated depending on the magnitude of the Zeldovich number. An analysis of both the ignition a diffusion flame regimes is presented using a combination of large Zeldovich number asymptotics and numerics. This allows to analyze the behavior of these regimes as a function of the parameters of the problem.

A network thermodynamic method for numerical solution of the Nernst-Planck and Poisson equation system with application to ionic transport through membranes.

PubMed

Horno, J; González-Caballero, F; González-Fernández, C F

1990-01-01

Simple techniques of network thermodynamics are used to obtain the numerical solution of the Nernst-Planck and Poisson equation system. A network model for a particular physical situation, namely ionic transport through a thin membrane with simultaneous diffusion, convection and electric current, is proposed. Concentration and electric field profiles across the membrane, as well as diffusion potential, have been simulated using the electric circuit simulation program, SPICE. The method is quite general and extremely efficient, permitting treatments of multi-ion systems whatever the boundary and experimental conditions may be.

Numerical computation of diffusion on a surface.

PubMed

Schwartz, Peter; Adalsteinsson, David; Colella, Phillip; Arkin, Adam Paul; Onsum, Matthew

2005-08-09

We present a numerical method for computing diffusive transport on a surface derived from image data. Our underlying discretization method uses a Cartesian grid embedded boundary method for computing the volume transport in a region consisting of all points a small distance from the surface. We obtain a representation of this region from image data by using a front propagation computation based on level set methods for solving the Hamilton-Jacobi and eikonal equations. We demonstrate that the method is second-order accurate in space and time and is capable of computing solutions on complex surface geometries obtained from image data of cells.

Numerical simulation of the interaction of transport, diffusion and chemical reactions in an urban plume

NASA Technical Reports Server (NTRS)

Vogel, Bernhard; Vogel, Heike; Fiedler, Franz

1994-01-01

A model system is presented that takes into account the main physical and chemical processes on the regional scale here in an area of 100x100 sq km. The horizontal gridsize used is 2x2 sq km. For a case study, it is demonstrated how the model system can be used to separate the contributions of the processes advection, turbulent diffusion, and chemical reactions to the diurnal cycle of ozone. In this way, typical features which are visible in observations and are reproduced by the numerical simulations can be interpreted.

Exact Solutions of Linear Reaction-Diffusion Processes on a Uniformly Growing Domain: Criteria for Successful Colonization

PubMed Central

Simpson, Matthew J

2015-01-01

Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE) on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction—diffusion process on 0

Exact solutions of linear reaction-diffusion processes on a uniformly growing domain: criteria for successful colonization.

PubMed

Simpson, Matthew J

2015-01-01

Many processes during embryonic development involve transport and reaction of molecules, or transport and proliferation of cells, within growing tissues. Mathematical models of such processes usually take the form of a reaction-diffusion partial differential equation (PDE) on a growing domain. Previous analyses of such models have mainly involved solving the PDEs numerically. Here, we present a framework for calculating the exact solution of a linear reaction-diffusion PDE on a growing domain. We derive an exact solution for a general class of one-dimensional linear reaction-diffusion process on 0

Brownian dynamics of confined rigid bodies

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

Delong, Steven; Balboa Usabiaga, Florencio; Donev, Aleksandar, E-mail: donev@courant.nyu.edu

2015-10-14

We introduce numerical methods for simulating the diffusive motion of rigid bodies of arbitrary shape immersed in a viscous fluid. We parameterize the orientation of the bodies using normalized quaternions, which are numerically robust, space efficient, and easy to accumulate. We construct a system of overdamped Langevin equations in the quaternion representation that accounts for hydrodynamic effects, preserves the unit-norm constraint on the quaternion, and is time reversible with respect to the Gibbs-Boltzmann distribution at equilibrium. We introduce two schemes for temporal integration of the overdamped Langevin equations of motion, one based on the Fixman midpoint method and the othermore » based on a random finite difference approach, both of which ensure that the correct stochastic drift term is captured in a computationally efficient way. We study several examples of rigid colloidal particles diffusing near a no-slip boundary and demonstrate the importance of the choice of tracking point on the measured translational mean square displacement (MSD). We examine the average short-time as well as the long-time quasi-two-dimensional diffusion coefficient of a rigid particle sedimented near a bottom wall due to gravity. For several particle shapes, we find a choice of tracking point that makes the MSD essentially linear with time, allowing us to estimate the long-time diffusion coefficient efficiently using a Monte Carlo method. However, in general, such a special choice of tracking point does not exist, and numerical techniques for simulating long trajectories, such as the ones we introduce here, are necessary to study diffusion on long time scales.« less

Fluctuating hydrodynamics of multispecies nonreactive mixtures

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Balakrishnan, Kaushik; Garcia, Alejandro L.; Donev, Aleksandar; ...

2014-01-22

In this study we discuss the formulation of the fluctuating Navier-Stokes equations for multispecies, nonreactive fluids. In particular, we establish a form suitable for numerical solution of the resulting stochastic partial differential equations. An accurate and efficient numerical scheme, based on our previous methods for single species and binary mixtures, is presented and tested at equilibrium as well as for a variety of nonequilibrium problems. These include the study of giant nonequilibrium concentration fluctuations in a ternary mixture in the presence of a diffusion barrier, the triggering of a Rayleigh-Taylor instability by diffusion in a four-species mixture, as well asmore » reverse diffusion in a ternary mixture. Finally, good agreement with theory and experiment demonstrates that the formulation is robust and can serve as a useful tool in the study of thermal fluctuations for multispecies fluids.« less